A0A087YNZ0_POEFO Loading...

N-acetylglucosamine-6-phosphate deacetylase

AlphaFold DB , UniProt , Accession A0A087YNZ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 406 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
1M43.8Very low63.6Low217 Ų21797.9 Ų97.9100%1.06956%0.56SS**  01390-59.3-149.1-137.300107S3M1-S3 PolarHBondContact O-N 3.43Å; M1-S3 VanDerWaalsContact O-N 3.11Å
2P46.9Very low66.2Low102 Ų10289.8 Ų89.866%0.66251%0.513SS*.PPolyproline II helixtrans-56.8119.7172.723.5-28.9000107.1Y51P2-Y51 HydrophobicContact CB-CE1 4.48Å; P2-Y51 HydrophobicContact CG-CE1 4.02Å; P2-Y51 WeakPolarHBondContact O-CE1 3.33Å; P2-Y51 VanDerWaalsContact O-CZ 3.32Å; P2-Y51 PolarHBondContact O-OH 2.85Å
3S49.8Very low68.5Low105 Ų10584.1 Ų84.173%0.73448%0.48SS*.PPolyproline II helixtrans-73.8129.9173.554.20000107.5M1 K5M1-S3 PolarHBondContact O-N 3.43Å; M1-S3 VanDerWaalsContact O-N 3.11Å; S3-K5 PolarHBondContact O-N 2.79Å
4N56.8Low70.6Confident33 Ų3380.1 Ų80.118%0.17646%0.455CS..PPolyproline II helixtrans-48.5137.2167.4-73.2-22.9000108.1S6 G50 Y51N4-S6 PolarHBondContact O-N 3.41Å; N4-G50 VanDerWaalsContact OD1-CA 3.3Å; N4-G50 WeakPolarHBondContact OD1-CA 3.48Å; N4-Y51 WeakPolarHBondContact OD1-CD1 3.12Å; N4-Y51 WeakPolarHBondContact OD1-CE1 3.41Å; N4-Y51 PolarHBondContact OD1-N 2.67Å; N4-Y51 VanDerWaalsContact OD1-N 3.14Å
5K55.8Low72.4Confident149 Ų14974.7 Ų74.765%0.64843%0.425SS*.  trans-75.429169.3-71.8178.6177.9159.10111.1S3 E48S3-K5 PolarHBondContact O-N 2.79Å; K5-E48 PolarHBondContact N-O 3.3Å
6S56.7Low74Confident35 Ų3572.1 Ų72.125%0.24541%0.41CS..  trans-62.1147.9-160.4-177.40000112.1N4 S8 R34N4-S6 PolarHBondContact O-N 3.41Å; S6-S8 VanDerWaalsContact C-N 3.25Å; S6-S8 VanDerWaalsContact CB-O 3.3Å; S6-S8 WeakPolarHBondContact CB-O 3.45Å; S6-S8 PolarHBondContact OG-N 3.28Å; S6-S8 PolarHBondContact OG-O 3.1Å; S6-R34 PolarHBondContact OG-NH1 3.04Å; S6-R34 VanDerWaalsContact OG-NH1 3.17Å
7V63.8Low75.3Confident134 Ų13471.9 Ų71.981%0.81241%0.408SS*.SBendtrans-81.6-7.3171.2-151.10000111.6E48V7-E48 HydrophobicContact CG2-CG 4.38Å
8S70.4Confident76.6Confident34 Ų3468.2 Ų68.224%0.23839%0.387CS..  trans-142.7142.3-178.4177.40000112.3S6 A10 D35S6-S8 VanDerWaalsContact C-N 3.25Å; S6-S8 VanDerWaalsContact CB-O 3.3Å; S6-S8 WeakPolarHBondContact CB-O 3.45Å; S6-S8 PolarHBondContact OG-N 3.28Å; S6-S8 PolarHBondContact OG-O 3.1Å; S8-A10 VanDerWaalsContact C-N 3.25Å; S8-A10 PolarHBondContact O-N 2.77Å; S8-A10 WeakPolarHBondContact OG-CB 3.32Å; S8-A10 PolarHBondContact OG-N 3.43Å; S8-D35 PolarHBondContact OG-OD2 2.99Å
9D79.2Confident77.7Confident176 Ų17667.4 Ų67.494%0.94138%0.377SS*.  trans-81.1-2.9174.7-69.8-33.4000113.2
10A85.7Confident78.7Confident18 Ų1864.1 Ų64.115%0.14936%0.358CS..SBendtrans-72.4141.3-17700000112.8S8 R34 D35S8-A10 VanDerWaalsContact C-N 3.25Å; S8-A10 PolarHBondContact O-N 2.77Å; S8-A10 WeakPolarHBondContact OG-CB 3.32Å; S8-A10 PolarHBondContact OG-N 3.43Å; A10-R34 HydrophobicContact CB-CG 3.8Å; A10-R34 WeakPolarHBondContact O-CD 3.33Å; A10-D35 WeakPolarHBondContact CB-OD1 3.36Å; A10-D35 VanDerWaalsContact CB-OD2 3.32Å; A10-D35 WeakPolarHBondContact CB-OD2 3.4Å
11P90.4Very high79.6Confident74 Ų7461.3 Ų61.348%0.48134%0.343SS..PPolyproline II helixtrans-67.2139.5-17627.8-34.7000111.6D53P11-D53 WeakPolarHBondContact CA-OD2 3.43Å; P11-D53 HydrophobicContact CB-CB 4.15Å
12I94.5Very high82Confident0 Ų051.8 Ų51.80%030%0.295CS..PPolyproline II helixtrans-90.9123.8173.7-62.7157000109.1W32 V33 R34 L39 L44 Y51 D53 R54I12-W32 HydrophobicContact CG2-CE3 3.74Å; I12-W32 HydrophobicContact CG2-CZ3 4.2Å; I12-V33 WeakPolarHBondContact CA-O 3.38Å; I12-R34 HydrophobicContact CG1-CB 4.28Å; I12-R34 HydrophobicContact CG1-CG 4.4Å; I12-L39 HydrophobicContact CG1-CD1 4.46Å; I12-L39 HydrophobicContact CG2-CD1 4.48Å; I12-L44 HydrophobicContact CD1-CD1 3.71Å; I12-L44 HydrophobicContact CG2-CD2 4.23Å; I12-Y51 WeakPolarHBondContact CD1-O 3.11Å; I12-D53 PolarHBondContact N-OD2 2.89Å; I12-D53 PolarHBondContact O-N 2.9Å; I12-R54 PolarHBondContact O-N 2.77Å; I12-R54 VanDerWaalsContact O-N 3.12Å
13I96.5Very high84.3Confident16 Ų1653 Ų538%0.08229%0.292CS..EExtended strand (participates in β ladder)trans-104.7126.1174.8-52.7174.2000108.4F15 W32 V33 R54 L56I13-F15 HydrophobicContact CB-CE2 4.44Å; I13-F15 HydrophobicContact CG2-CD2 4.23Å; I13-F15 HydrophobicContact CG2-CE2 3.76Å; I13-F15 HydrophobicContact CG2-CZ 4.19Å; I13-W32 WeakPolarHBondContact O-CA 3.44Å; I13-V33 PolarHBondContact N-O 3.37Å; I13-V33 PolarHBondContact O-N 2.8Å; I13-R54 WeakPolarHBondContact CA-O 3.19Å; I13-R54 HydrophobicContact CG1-CB 4.47Å; I13-L56 HydrophobicContact CG2-CD1 3.63Å; I13-L56 HydrophobicContact CG2-CG 4.04Å
14Q97.4Very high86.5Confident28 Ų2852.6 Ų52.613%0.13128%0.278CS..EExtended strand (participates in β ladder)trans-108121.6172.9-176.2-170.411.100109.5T16 D30 L31 W32 A52 R54 C55 L56Q14-T16 VanDerWaalsContact CD-CG2 3.48Å; Q14-T16 HydrophobicContact CG-CG2 3.66Å; Q14-D30 HydrophobicContact CG-CB 4.29Å; Q14-D30 PolarHBondContact NE2-OD2 2.71Å; Q14-L31 CarbonylContact C-O 3.51Å; Q14-L31 WeakPolarHBondContact CA-O 3.29Å; Q14-W32 HydrophobicContact CB-CD2 4.29Å; Q14-W32 HydrophobicContact CB-CE3 3.88Å; Q14-W32 HydrophobicContact CB-CH2 4Å; Q14-W32 HydrophobicContact CB-CZ2 4.35Å; Q14-W32 HydrophobicContact CB-CZ3 3.76Å; Q14-W32 HydrophobicContact CG-CD2 4.05Å; Q14-W32 HydrophobicContact CG-CE3 4.06Å; Q14-W32 HydrophobicContact CG-CH2 3.62Å; Q14-W32 HydrophobicContact CG-CZ2 3.54Å; Q14-W32 HydrophobicContact CG-CZ3 3.89Å; Q14-A52 HydrophobicContact CB-CB 3.63Å; Q14-R54 PolarHBondContact N-O 3.14Å; Q14-C55 CarbonylContact O-C 3.55Å; Q14-C55 WeakPolarHBondContact O-CA 3.44Å; Q14-C55 PolarHBondContact OE1-SG 3.33Å; Q14-L56 PolarHBondContact O-N 3.1Å
15F98.1Very high88.4Confident0 Ų057.6 Ų57.60%030%0.298CS..EExtended strand (participates in β ladder)trans-91.9118.4168.4-62.5-102.8000108.1I13 D30 L31 V33 L56 L382 Y395I13-F15 HydrophobicContact CB-CE2 4.44Å; I13-F15 HydrophobicContact CG2-CD2 4.23Å; I13-F15 HydrophobicContact CG2-CE2 3.76Å; I13-F15 HydrophobicContact CG2-CZ 4.19Å; F15-D30 CarbonylContact O-C 3.54Å; F15-D30 VanDerWaalsContact O-CA 3.24Å; F15-D30 WeakPolarHBondContact O-CA 3.19Å; F15-D30 WeakPolarHBondContact O-CB 3.5Å; F15-L31 HydrophobicContact CB-CB 4.04Å; F15-L31 HydrophobicContact CD2-CB 4.29Å; F15-L31 HydrophobicContact CD2-CD2 4.32Å; F15-L31 HydrophobicContact CG-CB 4.49Å; F15-L31 PolarHBondContact N-O 2.9Å; F15-L31 PolarHBondContact O-N 2.87Å; F15-V33 HydrophobicContact CD2-CG2 4.33Å; F15-V33 HydrophobicContact CE2-CB 4.38Å; F15-V33 HydrophobicContact CE2-CG2 3.87Å; F15-L56 CarbonylContact C-O 3.59Å; F15-L56 WeakPolarHBondContact CA-O 3.48Å; F15-L56 HydrophobicContact CD1-CB 4.26Å; F15-L56 HydrophobicContact CD1-CD1 4.17Å; F15-L56 HydrophobicContact CE1-CD1 3.7Å; F15-L56 HydrophobicContact CZ-CD1 3.93Å; F15-L382 HydrophobicContact CE1-CD1 4.3Å; F15-L382 HydrophobicContact CE2-CD1 4.03Å; F15-L382 HydrophobicContact CZ-CD1 3.88Å; F15-Y395 HydrophobicContact CE1-CD1 4.3Å; F15-Y395 HydrophobicContact CE1-CD2 4.38Å; F15-Y395 AromaticContact CE1-CE1 3.98Å; F15-Y395 HydrophobicContact CE1-CE1 3.98Å; F15-Y395 HydrophobicContact CE1-CE2 4.02Å; F15-Y395 AromaticContact CE1-CZ 3.87Å; F15-Y395 HydrophobicContact CZ-CD1 4.06Å; F15-Y395 HydrophobicContact CZ-CE1 4.04Å; F15-Y395 HydrophobicContact CZ-CG 4.45Å
16T98Very high90.4Very high32 Ų3252.7 Ų52.720%0.19628%0.279CS..EExtended strand (participates in β ladder)trans-111.4164.1-176.961.80000111.9Q14 C18 D30 L56 C58Q14-T16 VanDerWaalsContact CD-CG2 3.48Å; Q14-T16 HydrophobicContact CG-CG2 3.66Å; T16-C18 VanDerWaalsContact C-N 3.3Å; T16-C18 PolarHBondContact O-N 2.77Å; T16-D30 WeakPolarHBondContact CA-OD1 3.41Å; T16-L56 PolarHBondContact N-O 3.23Å; T16-C58 WeakPolarHBondContact O-CB 3.3Å; T16-C58 PolarHBondContact O-N 3.41Å
17N97.1Very high92.3Very high70 Ų7053.4 Ų53.437%0.37428%0.278SS..EExtended strand (participates in β ladder)trans53.248.4175.5-17831.9000111.6D57 A59 G60N17-D57 WeakPolarHBondContact CB-OD1 3.49Å; N17-D57 PolarHBondContact ND2-OD1 2.89Å; N17-A59 WeakPolarHBondContact ND2-CA 3.11Å; N17-G60 PolarHBondContact ND2-N 3.05Å; N17-G60 WeakPolarHBondContact O-CA 3.41Å; N17-G60 PolarHBondContact O-N 3.12Å
18C97.1Very high93.9Very high4 Ų455.9 Ų55.93%0.02727%0.273CS..EExtended strand (participates in β ladder)trans-124.5164.3-176.974.10000112.1T16 I20 E29 C58 V63T16-C18 VanDerWaalsContact C-N 3.3Å; T16-C18 PolarHBondContact O-N 2.77Å; C18-I20 WeakPolarHBondContact SG-CG1 3.36Å; C18-E29 PolarHBondContact SG-O 2.69Å; C18-C58 HydrophobicContact CB-CB 3.52Å; C18-V63 HydrophobicContact CB-CG2 3.64Å
19R98.2Very high95.1Very high54 Ų5457.7 Ų57.720%0.20428%0.278CS..EExtended strand (participates in β ladder)trans-113.8102.8171.6-70.1171.1-70.9170-1.6108.2Q27 R28 G60 A61 I62 V63 D387R19-Q27 CarbonylContact C-O 3.58Å; R19-Q27 VanDerWaalsContact CA-O 3.3Å; R19-Q27 WeakPolarHBondContact CA-O 3.15Å; R19-R28 HydrophobicContact CG-CG 4.05Å; R19-G60 PolarHBondContact NE-O 3.28Å; R19-G60 PolarHBondContact NH2-O 2.86Å; R19-A61 PolarHBondContact N-O 2.96Å; R19-I62 HydrophobicContact CB-CG1 4.42Å; R19-I62 CarbonylContact O-C 3.49Å; R19-I62 WeakPolarHBondContact O-CA 3.34Å; R19-V63 PolarHBondContact O-N 2.58Å; R19-D387 IonicContact CZ-OD1 3.68Å; R19-D387 IonicContact NH1-OD1 3.29Å; R19-D387 PolarHBondContact NH1-OD1 2.65Å; R19-D387 IonicContact NH2-OD1 2.75Å; R19-D387 PolarHBondContact NH2-OD1 3Å; R19-D387 IonicContact NH2-OD2 3.88Å
20I97.9Very high95.9Very high0 Ų052.5 Ų52.50%025%0.25CS..EExtended strand (participates in β ladder)trans-88.7131.4-172-55.7-179.6000109.6C18 R22 L26 Q27 E29 L31 V63 L374C18-I20 WeakPolarHBondContact SG-CG1 3.36Å; I20-R22 HydrophobicContact CG2-CB 4.28Å; I20-R22 PolarHBondContact O-N 3.47Å; I20-L26 WeakPolarHBondContact O-CA 3.4Å; I20-Q27 PolarHBondContact N-O 3.44Å; I20-Q27 PolarHBondContact O-N 3.11Å; I20-E29 HydrophobicContact CD1-CB 3.94Å; I20-L31 HydrophobicContact CD1-CB 3.71Å; I20-L31 HydrophobicContact CD1-CD1 4.06Å; I20-L31 HydrophobicContact CD1-CG 4.5Å; I20-L31 HydrophobicContact CG2-CD1 4.4Å; I20-V63 WeakPolarHBondContact CA-O 3.49Å; I20-V63 HydrophobicContact CG1-CB 4.48Å; I20-L374 HydrophobicContact CG2-CB 4.25Å; I20-L374 HydrophobicContact CG2-CD1 3.47Å; I20-L374 VanDerWaalsContact CG2-CD1 3.47Å; I20-L374 HydrophobicContact CG2-CG 4.48Å
21L97.9Very high96.4Very high6 Ų651.7 Ų51.73%0.03124%0.243CC..EExtended strand (participates in β ladder)trans-80102.3168.1-179.659.8000110.1L26 V63 A64 E351 L354 E355L21-L26 HydrophobicContact CB-CD2 3.95Å; L21-L26 HydrophobicContact CD1-CD2 4.4Å; L21-V63 PolarHBondContact N-O 3.23Å; L21-A64 HydrophobicContact CB-CB 4.44Å; L21-A64 HydrophobicContact CD2-CB 4.34Å; L21-E351 HydrophobicContact CD1-CB 3.94Å; L21-E351 HydrophobicContact CD1-CG 3.68Å; L21-L354 HydrophobicContact CD2-CB 3.54Å; L21-L354 HydrophobicContact CD2-CD1 4.03Å; L21-L354 HydrophobicContact CD2-CG 4.45Å; L21-E355 HydrophobicContact CD2-CG 4.24Å
22R94.6Very high96.8Very high17 Ų1749 Ų496%0.06422%0.224CC..EExtended strand (participates in β ladder)trans-142.3138.6179.2-174.5-173.3-64.8-97-6.7109.2I20 H24 K25 Q27 L374 Y376I20-R22 HydrophobicContact CG2-CB 4.28Å; I20-R22 PolarHBondContact O-N 3.47Å; R22-H24 VanDerWaalsContact C-N 3.29Å; R22-H24 PolarHBondContact O-N 2.79Å; R22-K25 PolarHBondContact N-O 2.74Å; R22-K25 PolarHBondContact O-N 3.46Å; R22-K25 VanDerWaalsContact O-N 3.16Å; R22-Q27 PolarHBondContact O-NE2 2.86Å; R22-L374 PolarHBondContact NH1-O 3.25Å; R22-L374 PolarHBondContact NH2-O 2.87Å; R22-Y376 VanDerWaalsContact NH1-CD1 3.27Å
23E93.3Very high96.9Very high127 Ų12749.1 Ų49.159%0.59322%0.224SC*.THydrogen-bonded Turntrans52.146.3179.8-66.2176.5-177.900113.1K25E23-K25 PolarHBondContact O-N 3.12Å
24H96.5Very high96.8Very high98 Ų9849.4 Ų49.445%0.45422%0.224SC..THydrogen-bonded Turntrans64.318.9177.3-48.5-71.3000115.2R22 E355R22-H24 VanDerWaalsContact C-N 3.29Å; R22-H24 PolarHBondContact O-N 2.79Å; H24-E355 VanDerWaalsContact CA-OE1 3.23Å; H24-E355 WeakPolarHBondContact CA-OE1 3.41Å; H24-E355 IonicContact CE1-OE1 2.88Å; H24-E355 IonicContact CE1-OE2 3.6Å; H24-E355 IonicContact CG-OE1 2.8Å; H24-E355 IonicContact ND1-OE1 3.95Å; H24-E355 PolarHBondContact ND1-OE1 2.83Å; H24-E355 IonicContact ND1-OE2 3.31Å; H24-E355 PolarHBondContact ND1-OE2 3.27Å
25K97.5Very high96.7Very high137 Ų13753.1 Ų53.160%0.59625%0.245SC*.EExtended strand (participates in β ladder)trans-140.5146.6-179-66.3-176.8-177.5173.90111.9R22 E23 Q27R22-K25 PolarHBondContact N-O 2.74Å; R22-K25 PolarHBondContact O-N 3.46Å; R22-K25 VanDerWaalsContact O-N 3.16Å; E23-K25 PolarHBondContact O-N 3.12Å; K25-Q27 HydrophobicContact CB-CG 4.1Å
26L97.9Very high96.5Very high46 Ų4653.8 Ų53.824%0.24125%0.252CS..EExtended strand (participates in β ladder)trans-79.6121.8163.2-69.5176.8000110.8I20 L21 I62 V350 E351I20-L26 WeakPolarHBondContact O-CA 3.4Å; L21-L26 HydrophobicContact CB-CD2 3.95Å; L21-L26 HydrophobicContact CD1-CD2 4.4Å; L26-I62 HydrophobicContact CD1-CD1 4.3Å; L26-I62 HydrophobicContact CD1-CG1 4.3Å; L26-I62 HydrophobicContact CD2-CG2 3.73Å; L26-V350 HydrophobicContact CD1-CB 4.16Å; L26-V350 HydrophobicContact CD1-CG1 3.83Å; L26-E351 HydrophobicContact CG-CG 4.07Å; L26-E351 PolarHBondContact N-OE1 3.23Å
27Q97.1Very high96.5Very high50 Ų5055.9 Ų55.923%0.23426%0.258CS..EExtended strand (participates in β ladder)trans-126.6140.5-175.5-46.2-169.434.600110.4R19 I20 R22 K25 E29R19-Q27 CarbonylContact C-O 3.58Å; R19-Q27 VanDerWaalsContact CA-O 3.3Å; R19-Q27 WeakPolarHBondContact CA-O 3.15Å; I20-Q27 PolarHBondContact N-O 3.44Å; I20-Q27 PolarHBondContact O-N 3.11Å; R22-Q27 PolarHBondContact O-NE2 2.86Å; K25-Q27 HydrophobicContact CB-CG 4.1Å; Q27-E29 HydrophobicContact CB-CG 4.26Å; Q27-E29 PolarHBondContact O-N 2.83Å; Q27-E29 PolarHBondContact OE1-OE1 3.23Å
28R97Very high96.6Very high186 Ų18652.6 Ų52.670%0.70224%0.241SC*.EExtended strand (participates in β ladder)trans-84.199.2175.9-80.9-176.2174.6-98.21.3109.1R19R19-R28 HydrophobicContact CG-CG 4.05Å
29E94.9Very high96.5Very high73 Ų7353.6 Ų53.634%0.34125%0.246SC..EExtended strand (participates in β ladder)trans-147.1168.2-176.3-65.8-176.8172.700109.5C18 I20 Q27C18-E29 PolarHBondContact SG-O 2.69Å; I20-E29 HydrophobicContact CD1-CB 3.94Å; Q27-E29 HydrophobicContact CB-CG 4.26Å; Q27-E29 PolarHBondContact O-N 2.83Å; Q27-E29 PolarHBondContact OE1-OE1 3.23Å
30D95.8Very high96.3Very high66 Ų6652.7 Ų52.735%0.35325%0.245SC..EExtended strand (participates in β ladder)trans-96143.3170.7-67.5-13.6000110Q14 F15 T16Q14-D30 HydrophobicContact CG-CB 4.29Å; Q14-D30 PolarHBondContact NE2-OD2 2.71Å; F15-D30 CarbonylContact O-C 3.54Å; F15-D30 VanDerWaalsContact O-CA 3.24Å; F15-D30 WeakPolarHBondContact O-CA 3.19Å; F15-D30 WeakPolarHBondContact O-CB 3.5Å; T16-D30 WeakPolarHBondContact CA-OD1 3.41Å
31L97.3Very high96Very high1 Ų154.1 Ų54.11%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-104.2134.8175.5-166.977000109.9Q14 F15 I20 V33 I38 V63 L382Q14-L31 CarbonylContact C-O 3.51Å; Q14-L31 WeakPolarHBondContact CA-O 3.29Å; F15-L31 HydrophobicContact CB-CB 4.04Å; F15-L31 HydrophobicContact CD2-CB 4.29Å; F15-L31 HydrophobicContact CD2-CD2 4.32Å; F15-L31 HydrophobicContact CG-CB 4.49Å; F15-L31 PolarHBondContact N-O 2.9Å; F15-L31 PolarHBondContact O-N 2.87Å; I20-L31 HydrophobicContact CD1-CB 3.71Å; I20-L31 HydrophobicContact CD1-CD1 4.06Å; I20-L31 HydrophobicContact CD1-CG 4.5Å; I20-L31 HydrophobicContact CG2-CD1 4.4Å; L31-V33 HydrophobicContact CD2-CG2 4.22Å; L31-V33 HydrophobicContact CG-CG2 4.44Å; L31-I38 HydrophobicContact CD1-CD1 4.49Å; L31-I38 HydrophobicContact CD1-CG2 3.72Å; L31-I38 HydrophobicContact CG-CG2 4.44Å; L31-V63 HydrophobicContact CD2-CG1 4.23Å; L31-L382 HydrophobicContact CD2-CD1 3.53Å; L31-L382 HydrophobicContact CD2-CD2 3.76Å; L31-L382 HydrophobicContact CD2-CG 4.32Å
32W97.4Very high95.5Very high19 Ų1960.1 Ų60.17%0.07228%0.282CS..EExtended strand (participates in β ladder)trans-114.6132.8-179.4-60.482.5000109.7I12 I13 Q14 I38 L39 L44 F45 A52I12-W32 HydrophobicContact CG2-CE3 3.74Å; I12-W32 HydrophobicContact CG2-CZ3 4.2Å; I13-W32 WeakPolarHBondContact O-CA 3.44Å; Q14-W32 HydrophobicContact CB-CD2 4.29Å; Q14-W32 HydrophobicContact CB-CE3 3.88Å; Q14-W32 HydrophobicContact CB-CH2 4Å; Q14-W32 HydrophobicContact CB-CZ2 4.35Å; Q14-W32 HydrophobicContact CB-CZ3 3.76Å; Q14-W32 HydrophobicContact CG-CD2 4.05Å; Q14-W32 HydrophobicContact CG-CE3 4.06Å; Q14-W32 HydrophobicContact CG-CH2 3.62Å; Q14-W32 HydrophobicContact CG-CZ2 3.54Å; Q14-W32 HydrophobicContact CG-CZ3 3.89Å; W32-I38 CarbonylContact O-C 3.45Å; W32-I38 WeakPolarHBondContact O-CA 3.31Å; W32-L39 HydrophobicContact CB-CB 3.92Å; W32-L39 PolarHBondContact O-N 2.66Å; W32-L44 HydrophobicContact CB-CD2 4.43Å; W32-L44 HydrophobicContact CD2-CD2 3.84Å; W32-L44 HydrophobicContact CE3-CD2 3.41Å; W32-L44 VanDerWaalsContact CE3-CD2 3.41Å; W32-L44 HydrophobicContact CG-CD2 4.27Å; W32-L44 HydrophobicContact CZ3-CD2 3.93Å; W32-F45 AromaticContact CE2-CZ 3.86Å; W32-F45 AromaticContact CH2-CE1 3.9Å; W32-F45 HydrophobicContact CH2-CE1 3.9Å; W32-F45 AromaticContact CH2-CZ 3.7Å; W32-F45 HydrophobicContact CH2-CZ 3.7Å; W32-F45 HydrophobicContact CZ2-CE1 4.07Å; W32-F45 HydrophobicContact CZ2-CE2 4.35Å; W32-F45 AromaticContact CZ2-CZ 3.38Å; W32-F45 HydrophobicContact CZ2-CZ 3.38Å; W32-F45 HydrophobicContact CZ3-CE1 4.4Å; W32-F45 HydrophobicContact CZ3-CZ 4.45Å; W32-A52 HydrophobicContact CH2-CB 4.35Å; W32-A52 HydrophobicContact CZ3-CB 3.79Å
33V97.3Very high95.1Very high2 Ų265 Ų651%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-134.1135.9-177.7178.20000110.4I12 I13 F15 L31 K37 A380I12-V33 WeakPolarHBondContact CA-O 3.38Å; I13-V33 PolarHBondContact N-O 3.37Å; I13-V33 PolarHBondContact O-N 2.8Å; F15-V33 HydrophobicContact CD2-CG2 4.33Å; F15-V33 HydrophobicContact CE2-CB 4.38Å; F15-V33 HydrophobicContact CE2-CG2 3.87Å; L31-V33 HydrophobicContact CD2-CG2 4.22Å; L31-V33 HydrophobicContact CG-CG2 4.44Å; V33-K37 VanDerWaalsContact CA-O 3.29Å; V33-K37 WeakPolarHBondContact CA-O 3.32Å; V33-A380 HydrophobicContact CB-CB 4.27Å; V33-A380 HydrophobicContact CG1-CB 3.44Å; V33-A380 VanDerWaalsContact CG1-CB 3.44Å; V33-A380 HydrophobicContact CG2-CB 3.74Å
34R95.1Very high94.8Very high22 Ų2259 Ų598%0.08328%0.276CS..EExtended strand (participates in β ladder)trans-149.1142.9169.7179.9175.561.1-164.3-3.4108.9S6 A10 I12 G36 K37 L39 E48S6-R34 PolarHBondContact OG-NH1 3.04Å; S6-R34 VanDerWaalsContact OG-NH1 3.17Å; A10-R34 HydrophobicContact CB-CG 3.8Å; A10-R34 WeakPolarHBondContact O-CD 3.33Å; I12-R34 HydrophobicContact CG1-CB 4.28Å; I12-R34 HydrophobicContact CG1-CG 4.4Å; R34-G36 PolarHBondContact O-N 2.74Å; R34-G36 VanDerWaalsContact O-N 3.16Å; R34-K37 PolarHBondContact N-O 2.84Å; R34-K37 PolarHBondContact O-N 2.91Å; R34-L39 HydrophobicContact CB-CD1 3.65Å; R34-L39 HydrophobicContact CB-CD2 4.11Å; R34-L39 HydrophobicContact CB-CG 4.02Å; R34-E48 IonicContact CZ-OE1 2.64Å; R34-E48 IonicContact CZ-OE2 3.53Å; R34-E48 VanDerWaalsContact CZ-OE2 3.29Å; R34-E48 IonicContact NH1-OE1 3.58Å; R34-E48 IonicContact NH1-OE2 2.66Å; R34-E48 PolarHBondContact NH1-OE2 2.98Å; R34-E48 VanDerWaalsContact NH2-CD 3.29Å; R34-E48 IonicContact NH2-OE1 2.8Å; R34-E48 PolarHBondContact NH2-OE1 3.05Å; R34-E48 IonicContact NH2-OE2 3.61Å; R34-E48 PolarHBondContact NH2-OE2 2.92Å
35D93.9Very high94.3Very high106 Ų10658.7 Ų58.757%0.56727%0.273SS*.THydrogen-bonded Turntrans52.337.9179.5-70.4-44.2000113.3S8 A10 K37S8-D35 PolarHBondContact OG-OD2 2.99Å; A10-D35 WeakPolarHBondContact CB-OD1 3.36Å; A10-D35 VanDerWaalsContact CB-OD2 3.32Å; A10-D35 WeakPolarHBondContact CB-OD2 3.4Å; D35-K37 PolarHBondContact O-N 3.43Å
36G95.6Very high93.7Very high13 Ų1359.6 Ų59.613%0.13428%0.277CS..THydrogen-bonded Turntrans65.714.8-177.900000115.7R34 A380 S397R34-G36 PolarHBondContact O-N 2.74Å; R34-G36 VanDerWaalsContact O-N 3.16Å; G36-A380 WeakPolarHBondContact O-CB 3.46Å; G36-A380 PolarHBondContact O-N 3.35Å; G36-S397 VanDerWaalsContact CA-C 3.47Å; G36-S397 WeakPolarHBondContact CA-O 3.43Å
37K97.6Very high92.9Very high76 Ų7663.1 Ų63.133%0.3330%0.296SS..EExtended strand (participates in β ladder)trans-118.3146.1179.1-62-57.3-164.9160.90112V33 R34 D35 L39 G377 A378 D379V33-K37 VanDerWaalsContact CA-O 3.29Å; V33-K37 WeakPolarHBondContact CA-O 3.32Å; R34-K37 PolarHBondContact N-O 2.84Å; R34-K37 PolarHBondContact O-N 2.91Å; D35-K37 PolarHBondContact O-N 3.43Å; K37-L39 PolarHBondContact O-N 3.46Å; K37-G377 WeakPolarHBondContact CD-O 3.23Å; K37-G377 PolarHBondContact NZ-O 3.39Å; K37-A378 WeakPolarHBondContact CA-O 3.47Å; K37-D379 IonicContact NZ-OD1 3.32Å; K37-D379 PolarHBondContact NZ-OD1 3.31Å
38I97.7Very high92.2Very high2 Ų262 Ų621%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-74.1124.3172.1-57.7175.4000108.7L31 W32 L374 Y376 G377 A378 A380 L382L31-I38 HydrophobicContact CD1-CD1 4.49Å; L31-I38 HydrophobicContact CD1-CG2 3.72Å; L31-I38 HydrophobicContact CG-CG2 4.44Å; W32-I38 CarbonylContact O-C 3.45Å; W32-I38 WeakPolarHBondContact O-CA 3.31Å; I38-L374 HydrophobicContact CD1-CB 3.95Å; I38-L374 HydrophobicContact CD1-CD2 3.73Å; I38-L374 HydrophobicContact CD1-CG 4.46Å; I38-Y376 HydrophobicContact CG2-CD1 4.14Å; I38-G377 PolarHBondContact O-N 2.83Å; I38-A378 HydrophobicContact CD1-CB 4.34Å; I38-A378 PolarHBondContact N-O 2.8Å; I38-A380 HydrophobicContact CG1-CB 4.12Å; I38-L382 HydrophobicContact CD1-CD2 4.43Å
39L96.1Very high91.6Very high25 Ų2558.6 Ų58.613%0.13128%0.283CS..  trans-88.4150.9-179.4-63.7-175.5000112.4I12 W32 R34 K37 L44 Y376I12-L39 HydrophobicContact CG1-CD1 4.46Å; I12-L39 HydrophobicContact CG2-CD1 4.48Å; W32-L39 HydrophobicContact CB-CB 3.92Å; W32-L39 PolarHBondContact O-N 2.66Å; R34-L39 HydrophobicContact CB-CD1 3.65Å; R34-L39 HydrophobicContact CB-CD2 4.11Å; R34-L39 HydrophobicContact CB-CG 4.02Å; K37-L39 PolarHBondContact O-N 3.46Å; L39-L44 HydrophobicContact CD1-CD1 4.26Å; L39-L44 HydrophobicContact CD1-CD2 4.27Å; L39-Y376 WeakPolarHBondContact O-CD1 3.32Å; L39-Y376 VanDerWaalsContact O-CE1 3.28Å; L39-Y376 WeakPolarHBondContact O-CE1 3.48Å
40D94.3Very high90.8Very high35 Ų3555.3 Ų55.319%0.18727%0.269CS..  trans-81.3114.1165.2-176.3-14.1000109E42 K43 L44 Y376D40-E42 PolarHBondContact O-N 3.3Å; D40-E42 WeakPolarHBondContact OD1-CB 3.44Å; D40-E42 PolarHBondContact OD1-N 3.46Å; D40-K43 HydrophobicContact CB-CB 4.32Å; D40-K43 HydrophobicContact CB-CD 4.23Å; D40-K43 HydrophobicContact CB-CG 4.27Å; D40-K43 PolarHBondContact O-N 2.55Å; D40-L44 PolarHBondContact O-N 3.17Å; D40-Y376 HydrophobicContact CB-CD1 4.28Å; D40-Y376 HydrophobicContact CB-CD2 3.82Å; D40-Y376 HydrophobicContact CB-CE2 4.28Å; D40-Y376 HydrophobicContact CB-CG 3.82Å
41P90.9Very high90.3Very high29 Ų2956.3 Ų56.319%0.18827%0.268CS..Hα-helixtrans-63.7-29.5-17826-32.9000112.4L44 F45 Y376P41-L44 PolarHBondContact O-N 3.26Å; P41-F45 HydrophobicContact CB-CD2 4.18Å; P41-F45 HydrophobicContact CB-CE2 3.8Å; P41-F45 WeakPolarHBondContact O-CD2 3.31Å; P41-F45 VanDerWaalsContact O-CG 3.32Å; P41-F45 WeakPolarHBondContact O-CG 3.24Å; P41-F45 PolarHBondContact O-N 2.88Å; P41-Y376 VanDerWaalsContact CD-CE1 3.47Å; P41-Y376 VanDerWaalsContact CD-CZ 3.46Å; P41-Y376 WeakPolarHBondContact CD-OH 3.45Å
42E88.3Confident90Very high133 Ų13357.1 Ų57.162%0.62128%0.276SS*.Hα-helixtrans-63.2-50.4179.1-169.2177.4170.100110.2D40 L44 F45 F46D40-E42 PolarHBondContact O-N 3.3Å; D40-E42 WeakPolarHBondContact OD1-CB 3.44Å; D40-E42 PolarHBondContact OD1-N 3.46Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.12Å; E42-F45 PolarHBondContact O-N 2.95Å; E42-F46 HydrophobicContact CB-CD2 4.48Å; E42-F46 HydrophobicContact CG-CD2 3.64Å; E42-F46 HydrophobicContact CG-CE2 4.01Å; E42-F46 WeakPolarHBondContact O-CB 3.5Å; E42-F46 VanDerWaalsContact O-CD2 3.24Å; E42-F46 WeakPolarHBondContact O-CD2 3.38Å; E42-F46 PolarHBondContact O-N 2.77Å
43K85.9Confident89.7Confident119 Ų11960.1 Ų60.152%0.51729%0.293SS..Hα-helixtrans-62.1-42.7175.8-66.1-177.3-177176.20112D40 F45 D47 E48D40-K43 HydrophobicContact CB-CB 4.32Å; D40-K43 HydrophobicContact CB-CD 4.23Å; D40-K43 HydrophobicContact CB-CG 4.27Å; D40-K43 PolarHBondContact O-N 2.55Å; K43-F45 VanDerWaalsContact C-N 3.33Å; K43-F45 PolarHBondContact O-N 2.9Å; K43-D47 WeakPolarHBondContact O-CA 3.47Å; K43-D47 VanDerWaalsContact O-CB 3.25Å; K43-D47 WeakPolarHBondContact O-CB 3.47Å; K43-D47 PolarHBondContact O-N 2.98Å; K43-E48 PolarHBondContact O-N 3.35Å
44L85.8Confident89.6Confident2 Ų266.7 Ų66.71%0.0132%0.317CS..Hα-helixtrans-58-45.7179.1179.762.4000111.8I12 W32 L39 D40 P41 E42 E48 Q49 G50I12-L44 HydrophobicContact CD1-CD1 3.71Å; I12-L44 HydrophobicContact CG2-CD2 4.23Å; W32-L44 HydrophobicContact CB-CD2 4.43Å; W32-L44 HydrophobicContact CD2-CD2 3.84Å; W32-L44 HydrophobicContact CE3-CD2 3.41Å; W32-L44 VanDerWaalsContact CE3-CD2 3.41Å; W32-L44 HydrophobicContact CG-CD2 4.27Å; W32-L44 HydrophobicContact CZ3-CD2 3.93Å; L39-L44 HydrophobicContact CD1-CD1 4.26Å; L39-L44 HydrophobicContact CD1-CD2 4.27Å; D40-L44 PolarHBondContact O-N 3.17Å; P41-L44 PolarHBondContact O-N 3.26Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.12Å; L44-E48 WeakPolarHBondContact O-CB 3.34Å; L44-Q49 PolarHBondContact O-N 2.93Å; L44-Q49 VanDerWaalsContact O-N 3.16Å; L44-G50 PolarHBondContact O-N 2.94Å
45F87Confident89.6Confident91 Ų9169.6 Ų69.640%0.39934%0.34SS..Hα-helixtrans-82.1-43.8-175.6-62.6-46.4000113.7W32 P41 E42 K43 Q49W32-F45 AromaticContact CE2-CZ 3.86Å; W32-F45 AromaticContact CH2-CE1 3.9Å; W32-F45 HydrophobicContact CH2-CE1 3.9Å; W32-F45 AromaticContact CH2-CZ 3.7Å; W32-F45 HydrophobicContact CH2-CZ 3.7Å; W32-F45 HydrophobicContact CZ2-CE1 4.07Å; W32-F45 HydrophobicContact CZ2-CE2 4.35Å; W32-F45 AromaticContact CZ2-CZ 3.38Å; W32-F45 HydrophobicContact CZ2-CZ 3.38Å; W32-F45 HydrophobicContact CZ3-CE1 4.4Å; W32-F45 HydrophobicContact CZ3-CZ 4.45Å; P41-F45 HydrophobicContact CB-CD2 4.18Å; P41-F45 HydrophobicContact CB-CE2 3.8Å; P41-F45 WeakPolarHBondContact O-CD2 3.31Å; P41-F45 VanDerWaalsContact O-CG 3.32Å; P41-F45 WeakPolarHBondContact O-CG 3.24Å; P41-F45 PolarHBondContact O-N 2.88Å; E42-F45 PolarHBondContact O-N 2.95Å; K43-F45 VanDerWaalsContact C-N 3.33Å; K43-F45 PolarHBondContact O-N 2.9Å; F45-Q49 WeakPolarHBondContact O-CA 3.47Å; F45-Q49 PolarHBondContact O-N 2.8Å
46F84.6Confident89.8Confident155 Ų15566.6 Ų66.668%0.6832%0.324SS*.Hα-helixtrans-86.2-36.1-172.7-67.1-70.8000112.9E42E42-F46 HydrophobicContact CB-CD2 4.48Å; E42-F46 HydrophobicContact CG-CD2 3.64Å; E42-F46 HydrophobicContact CG-CE2 4.01Å; E42-F46 WeakPolarHBondContact O-CB 3.5Å; E42-F46 VanDerWaalsContact O-CD2 3.24Å; E42-F46 WeakPolarHBondContact O-CD2 3.38Å; E42-F46 PolarHBondContact O-N 2.77Å
47D82.3Confident89.8Confident120 Ų12071.2 Ų71.264%0.64235%0.346SS*.THydrogen-bonded Turntrans-91.4-49.1-177.8-56.2-25.1000111.1K43K43-D47 WeakPolarHBondContact O-CA 3.47Å; K43-D47 VanDerWaalsContact O-CB 3.25Å; K43-D47 WeakPolarHBondContact O-CB 3.47Å; K43-D47 PolarHBondContact O-N 2.98Å
48E82.4Confident89.8Confident26 Ų2667.8 Ų67.812%0.12133%0.331CS..SBendtrans-92.2-16.4-172.7-56.1-173-13700113.7K5 V7 R34 K43 L44 G50K5-E48 PolarHBondContact N-O 3.3Å; V7-E48 HydrophobicContact CG2-CG 4.38Å; R34-E48 IonicContact CZ-OE1 2.64Å; R34-E48 IonicContact CZ-OE2 3.53Å; R34-E48 VanDerWaalsContact CZ-OE2 3.29Å; R34-E48 IonicContact NH1-OE1 3.58Å; R34-E48 IonicContact NH1-OE2 2.66Å; R34-E48 PolarHBondContact NH1-OE2 2.98Å; R34-E48 VanDerWaalsContact NH2-CD 3.29Å; R34-E48 IonicContact NH2-OE1 2.8Å; R34-E48 PolarHBondContact NH2-OE1 3.05Å; R34-E48 IonicContact NH2-OE2 3.61Å; R34-E48 PolarHBondContact NH2-OE2 2.92Å; K43-E48 PolarHBondContact O-N 3.35Å; L44-E48 WeakPolarHBondContact O-CB 3.34Å; E48-G50 PolarHBondContact O-N 2.85Å
49Q82.5Confident89.7Confident115 Ų11570.7 Ų70.754%0.53736%0.356SS..  trans5236-170.3-56.4-177-31.400111.3L44 F45L44-Q49 PolarHBondContact O-N 2.93Å; L44-Q49 VanDerWaalsContact O-N 3.16Å; F45-Q49 WeakPolarHBondContact O-CA 3.47Å; F45-Q49 PolarHBondContact O-N 2.8Å
50G78.3Confident89.8Confident5 Ų570.3 Ų70.35%0.05236%0.357CS..  trans-78.1147.4-173.200000112.9N4 L44 E48N4-G50 VanDerWaalsContact OD1-CA 3.3Å; N4-G50 WeakPolarHBondContact OD1-CA 3.48Å; L44-G50 PolarHBondContact O-N 2.94Å; E48-G50 PolarHBondContact O-N 2.85Å
51Y85.8Confident89.9Confident86 Ų8668.7 Ų68.734%0.33735%0.349SS..  trans-129.2162.7169.859.8-90.8000110.8P2 N4 I12 D53P2-Y51 HydrophobicContact CB-CE1 4.48Å; P2-Y51 HydrophobicContact CG-CE1 4.02Å; P2-Y51 WeakPolarHBondContact O-CE1 3.33Å; P2-Y51 VanDerWaalsContact O-CZ 3.32Å; P2-Y51 PolarHBondContact O-OH 2.85Å; N4-Y51 WeakPolarHBondContact OD1-CD1 3.12Å; N4-Y51 WeakPolarHBondContact OD1-CE1 3.41Å; N4-Y51 PolarHBondContact OD1-N 2.67Å; N4-Y51 VanDerWaalsContact OD1-N 3.14Å; I12-Y51 WeakPolarHBondContact CD1-O 3.11Å; Y51-D53 PolarHBondContact O-N 3.47Å
52A90.5Very high90.3Very high19 Ų1967.4 Ų67.416%0.15734%0.341CS..  trans-68129.4-179.400000111.4Q14 W32Q14-A52 HydrophobicContact CB-CB 3.63Å; W32-A52 HydrophobicContact CH2-CB 4.35Å; W32-A52 HydrophobicContact CZ3-CB 3.79Å
53D92.7Very high90.8Very high81 Ų8161.1 Ų61.143%0.43331%0.311SS..SBendtrans-78.5-29.7167.8-61.2-68.9000110.9P11 I12 Y51P11-D53 WeakPolarHBondContact CA-OD2 3.43Å; P11-D53 HydrophobicContact CB-CB 4.15Å; I12-D53 PolarHBondContact N-OD2 2.89Å; I12-D53 PolarHBondContact O-N 2.9Å; Y51-D53 PolarHBondContact O-N 3.47Å
54R94.3Very high91.4Very high140 Ų14055.4 Ų55.453%0.52829%0.286SS..EExtended strand (participates in β ladder)trans-137.1128.9177.8-65.8173.663.2-163.9-1110.4I12 I13 Q14I12-R54 PolarHBondContact O-N 2.77Å; I12-R54 VanDerWaalsContact O-N 3.12Å; I13-R54 WeakPolarHBondContact CA-O 3.19Å; I13-R54 HydrophobicContact CG1-CB 4.47Å; Q14-R54 PolarHBondContact N-O 3.14Å
55C95.8Very high92Very high83 Ų8355.5 Ų55.556%0.56129%0.287SS*.EExtended strand (participates in β ladder)trans-107.2130.9171.6-58.80000109.9Q14Q14-C55 CarbonylContact O-C 3.55Å; Q14-C55 WeakPolarHBondContact O-CA 3.44Å; Q14-C55 PolarHBondContact OE1-SG 3.33Å
56L96.5Very high92.6Very high44 Ų4451.3 Ų51.323%0.2327%0.27CS..EExtended strand (participates in β ladder)trans-118.6109.4177.7-60.4178.5000109.3I13 Q14 F15 T16 C58 Y395I13-L56 HydrophobicContact CG2-CD1 3.63Å; I13-L56 HydrophobicContact CG2-CG 4.04Å; Q14-L56 PolarHBondContact O-N 3.1Å; F15-L56 CarbonylContact C-O 3.59Å; F15-L56 WeakPolarHBondContact CA-O 3.48Å; F15-L56 HydrophobicContact CD1-CB 4.26Å; F15-L56 HydrophobicContact CD1-CD1 4.17Å; F15-L56 HydrophobicContact CE1-CD1 3.7Å; F15-L56 HydrophobicContact CZ-CD1 3.93Å; T16-L56 PolarHBondContact N-O 3.23Å; L56-C58 PolarHBondContact O-N 3.3Å; L56-Y395 HydrophobicContact CD1-CE1 4.41Å
57D96.8Very high93.3Very high110 Ų11044 Ų4459%0.58824%0.237SC*.EExtended strand (participates in β ladder)trans-74.2117.3173.5-175.7-7.3000109.9N17 A59N17-D57 WeakPolarHBondContact CB-OD1 3.49Å; N17-D57 PolarHBondContact ND2-OD1 2.89Å; D57-A59 PolarHBondContact O-N 3.46Å; D57-A59 WeakPolarHBondContact OD1-CA 3.14Å; D57-A59 PolarHBondContact OD1-N 3.34Å
58C97.2Very high94.1Very high4 Ų438.3 Ų38.33%0.02721%0.207CC..  trans-80.4-4.1179.6-63.50000113.2T16 C18 L56 G60 A61 L384 R392T16-C58 WeakPolarHBondContact O-CB 3.3Å; T16-C58 PolarHBondContact O-N 3.41Å; C18-C58 HydrophobicContact CB-CB 3.52Å; L56-C58 PolarHBondContact O-N 3.3Å; C58-G60 VanDerWaalsContact C-N 3.26Å; C58-G60 PolarHBondContact O-N 2.78Å; C58-A61 HydrophobicContact CB-CB 4.19Å; C58-A61 WeakPolarHBondContact O-CB 3.14Å; C58-A61 PolarHBondContact O-N 3.24Å; C58-L384 HydrophobicContact CB-CD2 4.35Å; C58-R392 PolarHBondContact O-NH1 3.49Å; C58-R392 VanDerWaalsContact O-NH1 3.1Å
59A96Very high94.8Very high63 Ų6337.1 Ų37.152%0.52120%0.202SC..THydrogen-bonded Turntrans53.141.3-179.700000113N17 D57 A61N17-A59 WeakPolarHBondContact ND2-CA 3.11Å; D57-A59 PolarHBondContact O-N 3.46Å; D57-A59 WeakPolarHBondContact OD1-CA 3.14Å; D57-A59 PolarHBondContact OD1-N 3.34Å; A59-A61 VanDerWaalsContact C-N 3.3Å; A59-A61 PolarHBondContact O-N 3.37Å
60G97.1Very high95.6Very high16 Ų1631.7 Ų31.717%0.16518%0.176CC..THydrogen-bonded Turntrans77.16.6-177.800000115N17 R19 C58N17-G60 PolarHBondContact ND2-N 3.05Å; N17-G60 WeakPolarHBondContact O-CA 3.41Å; N17-G60 PolarHBondContact O-N 3.12Å; R19-G60 PolarHBondContact NE-O 3.28Å; R19-G60 PolarHBondContact NH2-O 2.86Å; C58-G60 VanDerWaalsContact C-N 3.26Å; C58-G60 PolarHBondContact O-N 2.78Å
61A98.1Very high96.6Very high2 Ų231.4 Ų31.42%0.01717%0.174CC..  trans-58.5154.1-179.800000112.9R19 C58 A59 L384 L385R19-A61 PolarHBondContact N-O 2.96Å; C58-A61 HydrophobicContact CB-CB 4.19Å; C58-A61 WeakPolarHBondContact O-CB 3.14Å; C58-A61 PolarHBondContact O-N 3.24Å; A59-A61 VanDerWaalsContact C-N 3.3Å; A59-A61 PolarHBondContact O-N 3.37Å; A61-L384 HydrophobicContact CB-CB 4.47Å; A61-L385 WeakPolarHBondContact CA-O 3.45Å; A61-L385 WeakPolarHBondContact CB-O 3.38Å
62I98.8Very high97.2Very high2 Ų227.4 Ų27.41%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-78.7129.9167-65.9161.1000107.7R19 L26 V350 L354 L384 L385 L389R19-I62 HydrophobicContact CB-CG1 4.42Å; R19-I62 CarbonylContact O-C 3.49Å; R19-I62 WeakPolarHBondContact O-CA 3.34Å; L26-I62 HydrophobicContact CD1-CD1 4.3Å; L26-I62 HydrophobicContact CD1-CG1 4.3Å; L26-I62 HydrophobicContact CD2-CG2 3.73Å; I62-V350 HydrophobicContact CD1-CG1 4.2Å; I62-L354 HydrophobicContact CG2-CD1 3.99Å; I62-L384 CarbonylContact O-C 3.46Å; I62-L384 VanDerWaalsContact O-CA 3.31Å; I62-L384 WeakPolarHBondContact O-CA 3.1Å; I62-L385 HydrophobicContact CB-CB 4.21Å; I62-L385 HydrophobicContact CG2-CD1 4.45Å; I62-L385 PolarHBondContact N-O 3.42Å; I62-L385 PolarHBondContact O-N 3.37Å; I62-L389 HydrophobicContact CD1-CD2 3.82Å
63V98.7Very high97.5Very high0 Ų026.6 Ų26.60%015%0.151CC..EExtended strand (participates in β ladder)trans-108.7114.6173.2-179.60000107.4C18 R19 I20 L21 L31 L374 L382 L384C18-V63 HydrophobicContact CB-CG2 3.64Å; R19-V63 PolarHBondContact O-N 2.58Å; I20-V63 WeakPolarHBondContact CA-O 3.49Å; I20-V63 HydrophobicContact CG1-CB 4.48Å; L21-V63 PolarHBondContact N-O 3.23Å; L31-V63 HydrophobicContact CD2-CG1 4.23Å; V63-L374 HydrophobicContact CG1-CD1 3.97Å; V63-L374 WeakPolarHBondContact O-CD1 3.48Å; V63-L382 HydrophobicContact CG1-CB 4.4Å; V63-L382 HydrophobicContact CG1-CD2 4.4Å; V63-L384 HydrophobicContact CG1-CD1 4.35Å; V63-L384 HydrophobicContact CG2-CD1 4.1Å; V63-L384 HydrophobicContact CG2-CG 3.99Å
64A98.7Very high97.6Very high0 Ų022.7 Ų22.70%013%0.13CC..EExtended strand (participates in β ladder)trans-118.6161177.900000110.4L21 L354 L382 V383 L385L21-A64 HydrophobicContact CB-CB 4.44Å; L21-A64 HydrophobicContact CD2-CB 4.34Å; A64-L354 HydrophobicContact CB-CB 4.47Å; A64-L354 HydrophobicContact CB-CD1 3.93Å; A64-L354 HydrophobicContact CB-CD2 4.23Å; A64-L354 HydrophobicContact CB-CG 4.44Å; A64-L382 WeakPolarHBondContact O-CA 3.32Å; A64-V383 HydrophobicContact CB-CG1 3.8Å; A64-V383 PolarHBondContact N-O 3.39Å; A64-V383 PolarHBondContact O-N 2.86Å; A64-L385 HydrophobicContact CB-CD1 4.42Å
65P98.7Very high97.7Very high4 Ų416 Ų163%0.02611%0.105CC..EExtended strand (participates in β ladder)trans-60143.8168.2-7.319.5000109.7A358 L374P65-A358 HydrophobicContact CB-CB 4.04Å; P65-A358 HydrophobicContact CG-CB 4.29Å; P65-L374 HydrophobicContact CB-CD2 4.06Å; P65-L374 HydrophobicContact CB-CG 4.48Å; P65-L374 HydrophobicContact CG-CD2 4.06Å; P65-L374 HydrophobicContact CG-CG 3.93Å
66G98.8Very high97.7Very high3 Ų313.7 Ų13.73%0.0319%0.085CC..PPolyproline II helixtrans-55.8141.9175.100000111.6T104 D381G66-T104 WeakPolarHBondContact CA-OG1 3.33Å; G66-D381 PolarHBondContact N-O 3.09Å
67F98.9Very high97.5Very high0 Ų013.8 Ų13.80%010%0.097CC..EExtended strand (participates in β ladder)trans-73151.2-174.3-53.2-38.1000111.7H101 G102 V103 T104 S105 M335 V339 L354 A357 V383 L385F67-H101 WeakPolarHBondContact CD2-O 2.95Å; F67-G102 WeakPolarHBondContact CB-O 3.41Å; F67-G102 PolarHBondContact N-O 2.68Å; F67-V103 HydrophobicContact CB-CG2 4.39Å; F67-V103 WeakPolarHBondContact O-CA 3.48Å; F67-T104 PolarHBondContact O-N 3.47Å; F67-S105 PolarHBondContact O-N 3.39Å; F67-M335 HydrophobicContact CB-CG 3.71Å; F67-M335 HydrophobicContact CD2-CB 4.31Å; F67-M335 HydrophobicContact CD2-CG 3.69Å; F67-M335 HydrophobicContact CG-CG 3.91Å; F67-V339 HydrophobicContact CE1-CG2 4.41Å; F67-V339 HydrophobicContact CE2-CG2 4.34Å; F67-V339 HydrophobicContact CZ-CG2 4.14Å; F67-L354 HydrophobicContact CE1-CD2 3.77Å; F67-L354 HydrophobicContact CZ-CD2 3.92Å; F67-A357 CarbonylContact C-O 3.56Å; F67-A357 VanDerWaalsContact CA-O 3.32Å; F67-A357 WeakPolarHBondContact CA-O 3.31Å; F67-A357 HydrophobicContact CB-CB 4.3Å; F67-A357 HydrophobicContact CD1-CB 3.67Å; F67-A357 HydrophobicContact CE1-CB 4.17Å; F67-A357 HydrophobicContact CG-CB 4.04Å; F67-V383 HydrophobicContact CD1-CG1 4.33Å; F67-V383 HydrophobicContact CE1-CG1 3.8Å; F67-V383 HydrophobicContact CE2-CG1 4.4Å; F67-V383 HydrophobicContact CE2-CG2 4.46Å; F67-V383 HydrophobicContact CZ-CG1 3.83Å; F67-L385 HydrophobicContact CZ-CD1 4.23Å; F67-L385 HydrophobicContact CZ-CD2 4.43Å
68I98.9Very high97.3Very high1 Ų19.6 Ų9.61%0.0058%0.075CC..EExtended strand (participates in β ladder)trans-122.2114.5179.7-53.5176.4000109V70 S105 L138 A357 P361 A362 I367 K371I68-V70 HydrophobicContact CG2-CG1 3.99Å; I68-S105 VanDerWaalsContact CA-O 3.28Å; I68-S105 WeakPolarHBondContact CA-O 3.15Å; I68-L138 HydrophobicContact CG2-CD1 3.52Å; I68-A357 PolarHBondContact N-O 3.38Å; I68-P361 HydrophobicContact CB-CB 3.92Å; I68-P361 HydrophobicContact CB-CG 3.83Å; I68-P361 HydrophobicContact CG2-CB 3.98Å; I68-P361 HydrophobicContact CG2-CG 4.46Å; I68-A362 HydrophobicContact CD1-CB 3.74Å; I68-I367 HydrophobicContact CD1-CD1 4.41Å; I68-K371 HydrophobicContact CD1-CB 4.21Å
69D98.9Very high97.1Very high2 Ų210 Ų101%0.0118%0.077CC..EExtended strand (participates in β ladder)trans-100.6106.1176.9-163.6-3.1000111.1Q71 V103 S105 F106 C107 T293 M335D69-Q71 PolarHBondContact OD1-N 2.89Å; D69-V103 HydrophobicContact CB-CG1 4.17Å; D69-S105 PolarHBondContact N-O 3.38Å; D69-S105 VanDerWaalsContact N-O 3.14Å; D69-F106 HydrophobicContact CB-CB 4.25Å; D69-F106 CarbonylContact O-C 3.59Å; D69-F106 WeakPolarHBondContact O-CA 3.37Å; D69-F106 WeakPolarHBondContact O-CB 3.39Å; D69-C107 PolarHBondContact O-N 2.97Å; D69-T293 PolarHBondContact OD1-N 2.86Å; D69-T293 VanDerWaalsContact OD2-CB 3.3Å; D69-T293 WeakPolarHBondContact OD2-CB 3.25Å; D69-T293 WeakPolarHBondContact OD2-CG2 3.39Å; D69-T293 PolarHBondContact OD2-OG1 2.7Å; D69-M335 HydrophobicContact CB-CE 3.62Å
70V98.8Very high97Very high0 Ų07 Ų70%05%0.052CC..EExtended strand (participates in β ladder)trans-88.3-4.1-175.2-58.90000113.7I68 H141 M183 F229 V290 V292 P361 L364 L365I68-V70 HydrophobicContact CG2-CG1 3.99Å; V70-H141 PolarHBondContact O-ND1 2.85Å; V70-M183 HydrophobicContact CB-CE 4.17Å; V70-M183 HydrophobicContact CG2-CE 4.31Å; V70-M183 VanDerWaalsContact O-CE 3.22Å; V70-M183 WeakPolarHBondContact O-CE 3.49Å; V70-F229 HydrophobicContact CG2-CE1 4.27Å; V70-F229 HydrophobicContact CG2-CZ 4.1Å; V70-V290 HydrophobicContact CG2-CG1 3.84Å; V70-V292 HydrophobicContact CG2-CG1 3.58Å; V70-P361 HydrophobicContact CG1-CB 3.73Å; V70-L364 HydrophobicContact CG2-CD2 4.26Å; V70-L365 HydrophobicContact CG1-CD1 3.86Å; V70-L365 HydrophobicContact CG1-CG 4.33Å
71Q98.7Very high96.7Very high0 Ų06.3 Ų6.30%04%0.044CC..EExtended strand (participates in β ladder)trans-145.8100.6176.1-176.4-178.85.100110.4D69 T109 E143 H232 V292 T293 D294D69-Q71 PolarHBondContact OD1-N 2.89Å; Q71-T109 WeakPolarHBondContact CA-OG1 3.36Å; Q71-T109 HydrophobicContact CG-CG2 4.41Å; Q71-E143 PolarHBondContact NE2-OE2 2.81Å; Q71-H232 PolarHBondContact NE2-CD2 2.81Å; Q71-V292 HydrophobicContact CB-CB 3.99Å; Q71-V292 HydrophobicContact CB-CG1 3.97Å; Q71-T293 PolarHBondContact O-OG1 2.72Å; Q71-D294 HydrophobicContact CG-CB 4.45Å; Q71-D294 PolarHBondContact NE2-OD1 2.96Å; Q71-D294 VanDerWaalsContact O-CA 3.29Å; Q71-D294 WeakPolarHBondContact O-CA 3.43Å; Q71-D294 PolarHBondContact O-N 2.86Å
72I98.1Very high96.1Very high1 Ų110 Ų101%0.0056%0.061CC..EExtended strand (participates in β ladder)trans-145.6119.8176.8176.1166.7000109.4G74 F80 V94 I98 F106 T109 A295 M299I72-G74 WeakPolarHBondContact CG1-O 3.38Å; I72-F80 WeakPolarHBondContact O-CD2 3.39Å; I72-F80 WeakPolarHBondContact O-CE2 3.33Å; I72-V94 HydrophobicContact CD1-CG1 4.17Å; I72-I98 HydrophobicContact CD1-CG2 4.22Å; I72-F106 HydrophobicContact CG2-CB 4.24Å; I72-F106 HydrophobicContact CG2-CD2 3.62Å; I72-F106 HydrophobicContact CG2-CE2 4.49Å; I72-F106 HydrophobicContact CG2-CG 4.39Å; I72-T109 PolarHBondContact N-OG1 2.9Å; I72-T109 VanDerWaalsContact O-CB 3.25Å; I72-T109 WeakPolarHBondContact O-CB 3.3Å; I72-T109 PolarHBondContact O-N 3.06Å; I72-T109 PolarHBondContact O-OG1 3.33Å; I72-A295 HydrophobicContact CD1-CB 4.28Å; I72-A295 HydrophobicContact CG1-CB 4.14Å; I72-M299 HydrophobicContact CD1-CE 3.86Å
73N96.9Very high94.5Very high2 Ų212.2 Ų12.21%0.0118%0.076CC..  trans-86.2-18.8-174.7-54.9-77000112.9F80 T109 V111 D294 A295 I296 L308N73-F80 VanDerWaalsContact C-CD2 3.41Å; N73-F80 WeakPolarHBondContact O-CD2 3.37Å; N73-F80 WeakPolarHBondContact O-CG 3.49Å; N73-F80 PolarHBondContact O-N 3.03Å; N73-T109 WeakPolarHBondContact OD1-CG2 3.37Å; N73-V111 VanDerWaalsContact OD1-CG1 3.27Å; N73-V111 WeakPolarHBondContact OD1-CG1 3.48Å; N73-D294 PolarHBondContact ND2-O 3.13Å; N73-D294 PolarHBondContact ND2-OD1 2.92Å; N73-A295 WeakPolarHBondContact CA-O 3.48Å; N73-A295 WeakPolarHBondContact CB-O 3.18Å; N73-A295 PolarHBondContact N-O 3.13Å; N73-I296 HydrophobicContact CB-CG2 4.39Å; N73-L308 HydrophobicContact CB-CD1 3.53Å
74G95.4Very high93Very high0 Ų015.6 Ų15.60%010%0.099CC..EExtended strand (participates in β ladder)trans162.4-165.9-179.900000112.1I72 V78 A295 I296I72-G74 WeakPolarHBondContact CG1-O 3.38Å; G74-V78 VanDerWaalsContact CA-O 3.32Å; G74-V78 WeakPolarHBondContact CA-O 3.41Å; G74-A295 PolarHBondContact N-O 2.97Å; G74-I296 CarbonylContact O-C 3.58Å
75G95.7Very high91.2Very high0 Ų025.3 Ų25.30%014%0.144CC..EExtended strand (participates in β ladder)trans169.4163.6179.900000111.8G77 V78 V94 I296G75-G77 PolarHBondContact O-N 3.42Å; G75-G77 VanDerWaalsContact O-N 3.1Å; G75-V78 PolarHBondContact N-O 2.85Å; G75-V78 WeakPolarHBondContact O-CB 3.38Å; G75-V78 PolarHBondContact O-N 2.77Å; G75-V94 WeakPolarHBondContact O-CG2 3.4Å; G75-I296 WeakPolarHBondContact CA-O 3.3Å
76Y95.2Very high90Very high33 Ų3328.6 Ų28.613%0.12916%0.162CC..THydrogen-bonded Turntrans52.136.4174.8-52.3-86.5000113.8K97 I98 E100 H101 T297 M299Y76-K97 HydrophobicContact CD1-CB 4.19Å; Y76-K97 HydrophobicContact CD1-CD 4.24Å; Y76-K97 HydrophobicContact CD1-CG 4.13Å; Y76-K97 HydrophobicContact CD2-CB 3.48Å; Y76-K97 VanDerWaalsContact CD2-CB 3.48Å; Y76-K97 HydrophobicContact CD2-CG 3.99Å; Y76-K97 HydrophobicContact CE1-CB 3.94Å; Y76-K97 HydrophobicContact CE1-CD 4.17Å; Y76-K97 HydrophobicContact CE1-CG 4.25Å; Y76-K97 HydrophobicContact CE2-CB 3.24Å; Y76-K97 HydrophobicContact CE2-CG 4.17Å; Y76-K97 HydrophobicContact CG-CB 3.95Å; Y76-K97 HydrophobicContact CG-CG 3.97Å; Y76-K97 VanDerWaalsContact CZ-CB 3.47Å; Y76-I98 HydrophobicContact CE2-CG2 4.23Å; Y76-E100 PolarHBondContact OH-OE1 3.04Å; Y76-H101 PolarHBondContact OH-CD2 2.89Å; Y76-H101 VanDerWaalsContact OH-CD2 3.29Å; Y76-H101 PolarHBondContact OH-NE2 3.49Å; Y76-T297 PolarHBondContact N-O 3.44Å; Y76-M299 WeakPolarHBondContact CA-O 3.49Å; Y76-M299 HydrophobicContact CD2-CE 4.11Å; Y76-M299 HydrophobicContact CE2-CE 3.63Å; Y76-M299 PolarHBondContact N-O 2.8Å
77G92.6Very high89.3Confident47 Ų4728.8 Ų28.849%0.48516%0.162SC..THydrogen-bonded Turntrans88.50.8-179.200000115.1G75 T297G75-G77 PolarHBondContact O-N 3.42Å; G75-G77 VanDerWaalsContact O-N 3.1Å; G77-T297 VanDerWaalsContact C-CG2 3.41Å; G77-T297 PolarHBondContact N-O 2.78Å
78V93.7Very high88.7Confident22 Ų2230.9 Ų30.913%0.13318%0.177CC..EExtended strand (participates in β ladder)trans-101.2135.8176.3-177.50000111.1G74 G75 F80 L93 V94 T297G74-V78 VanDerWaalsContact CA-O 3.32Å; G74-V78 WeakPolarHBondContact CA-O 3.41Å; G75-V78 PolarHBondContact N-O 2.85Å; G75-V78 WeakPolarHBondContact O-CB 3.38Å; G75-V78 PolarHBondContact O-N 2.77Å; V78-F80 HydrophobicContact CG1-CD1 3.87Å; V78-F80 HydrophobicContact CG1-CE1 3.88Å; V78-L93 HydrophobicContact CG2-CD2 3.86Å; V78-V94 HydrophobicContact CB-CG2 3.77Å; V78-V94 HydrophobicContact CG1-CG2 4.22Å; V78-V94 HydrophobicContact CG2-CG2 4.14Å; V78-T297 VanDerWaalsContact O-CA 3.27Å; V78-T297 WeakPolarHBondContact O-CA 3.33Å; V78-T297 WeakPolarHBondContact O-CB 3.32Å; V78-T297 PolarHBondContact O-OG1 3.28Å
79D93.1Very high88.3Confident12 Ų1234.8 Ų34.86%0.06420%0.201CC..EExtended strand (participates in β ladder)trans-118.2116.1170.3-173.6-27.9000108S81 Q82 T297 T307 L308 G309D79-S81 PolarHBondContact O-N 2.84Å; D79-S81 WeakPolarHBondContact OD1-CB 3.39Å; D79-S81 PolarHBondContact OD1-N 3.27Å; D79-Q82 HydrophobicContact CB-CB 4.08Å; D79-Q82 HydrophobicContact CB-CG 4.11Å; D79-Q82 PolarHBondContact O-N 2.83Å; D79-T297 WeakPolarHBondContact CA-OG1 3.34Å; D79-T297 WeakPolarHBondContact CB-OG1 3.27Å; D79-T307 PolarHBondContact OD2-OG1 2.98Å; D79-L308 WeakPolarHBondContact OD2-CA 3.24Å; D79-L308 PolarHBondContact OD2-N 2.78Å; D79-G309 PolarHBondContact OD1-N 3.36Å; D79-G309 PolarHBondContact OD2-N 3.29Å
80F93.8Very high88Confident1 Ų135 Ų350%0.00420%0.204CC..THydrogen-bonded Turntrans-67.6-21.7-176.7-57.2-35000112.7I72 N73 V78 V91 V94 F106 P108 L110I72-F80 WeakPolarHBondContact O-CD2 3.39Å; I72-F80 WeakPolarHBondContact O-CE2 3.33Å; N73-F80 VanDerWaalsContact C-CD2 3.41Å; N73-F80 WeakPolarHBondContact O-CD2 3.37Å; N73-F80 WeakPolarHBondContact O-CG 3.49Å; N73-F80 PolarHBondContact O-N 3.03Å; V78-F80 HydrophobicContact CG1-CD1 3.87Å; V78-F80 HydrophobicContact CG1-CE1 3.88Å; F80-V91 HydrophobicContact CD1-CG2 3.71Å; F80-V91 HydrophobicContact CE1-CB 4.32Å; F80-V91 HydrophobicContact CE1-CG2 3.78Å; F80-V91 HydrophobicContact CG-CG2 4.45Å; F80-V94 HydrophobicContact CE1-CB 4.04Å; F80-V94 HydrophobicContact CE1-CG2 3.75Å; F80-V94 HydrophobicContact CZ-CB 3.78Å; F80-V94 HydrophobicContact CZ-CG1 3.81Å; F80-V94 HydrophobicContact CZ-CG2 3.85Å; F80-F106 HydrophobicContact CE2-CE2 4.19Å; F80-F106 HydrophobicContact CZ-CE2 4.07Å; F80-P108 HydrophobicContact CD2-CB 3.74Å; F80-P108 HydrophobicContact CE2-CB 3.88Å; F80-P108 HydrophobicContact CG-CB 4.3Å; F80-L110 VanDerWaalsContact C-CD2 3.44Å; F80-L110 HydrophobicContact CB-CD2 3.79Å; F80-L110 WeakPolarHBondContact O-CD2 3.3Å
81S90.9Very high87.9Confident0 Ų035.2 Ų35.20%021%0.205CC..THydrogen-bonded Turntrans-90.50.5179.6-59.30000113.4D79 L110 V111 Q310D79-S81 PolarHBondContact O-N 2.84Å; D79-S81 WeakPolarHBondContact OD1-CB 3.39Å; D79-S81 PolarHBondContact OD1-N 3.27Å; S81-L110 WeakPolarHBondContact OG-CA 3.37Å; S81-V111 PolarHBondContact OG-N 2.71Å; S81-Q310 PolarHBondContact O-NE2 3.31Å
82Q85.2Confident87.7Confident80 Ų8038.1 Ų38.137%0.37423%0.225SC..SBendtrans-106.6104.4168.3-69.9-160.3-200110.3D79 C84 T307 G309D79-Q82 HydrophobicContact CB-CB 4.08Å; D79-Q82 HydrophobicContact CB-CG 4.11Å; D79-Q82 PolarHBondContact O-N 2.83Å; Q82-C84 PolarHBondContact O-N 2.89Å; Q82-T307 VanDerWaalsContact NE2-CG2 3.32Å; Q82-T307 PolarHBondContact NE2-OG1 3.34Å; Q82-G309 VanDerWaalsContact CG-O 3.3Å; Q82-G309 WeakPolarHBondContact CG-O 3.38Å; Q82-G309 PolarHBondContact NE2-O 3.47Å
83P65.3Low87.6Confident49 Ų4941.7 Ų41.732%0.31824%0.244SC..  trans-67.8103.8175.126.2-30.5000109.6V87 V117 V121P83-V87 HydrophobicContact CB-CG2 4.21Å; P83-V117 HydrophobicContact CG-CG1 4.42Å; P83-V117 HydrophobicContact CG-CG2 4.21Å; P83-V121 HydrophobicContact CB-CG2 4.47Å
84C66.3Low87.7Confident71 Ų7141.6 Ų41.648%0.4824%0.244SC..  trans-76.5174.715460.90000109.2Q82 D86Q82-C84 PolarHBondContact O-N 2.89Å; C84-D86 PolarHBondContact O-N 2.9Å; C84-D86 VanDerWaalsContact SG-C 3.52Å; C84-D86 PolarHBondContact SG-O 3.13Å
85E61.5Low87.8Confident203 Ų20341.9 Ų41.995%0.94925%0.246SC*.SBendtrans-58.8-19.8177.9-70.6-173.7162.300113.1
86D74.4Confident87.9Confident74 Ų7446 Ų4640%0.39626%0.263SS..  trans-140.183.4-179.6-171-5.5000112.8C84 S88 T89 G90C84-D86 PolarHBondContact O-N 2.9Å; C84-D86 VanDerWaalsContact SG-C 3.52Å; C84-D86 PolarHBondContact SG-O 3.13Å; D86-S88 PolarHBondContact O-N 2.81Å; D86-S88 WeakPolarHBondContact OD1-CB 3.48Å; D86-S88 PolarHBondContact OD1-N 2.91Å; D86-T89 VanDerWaalsContact CG-CB 3.47Å; D86-T89 PolarHBondContact O-N 2.89Å; D86-T89 PolarHBondContact OD1-N 3.1Å; D86-T89 PolarHBondContact OD1-OG1 2.94Å; D86-T89 VanDerWaalsContact OD2-CB 3.25Å; D86-T89 WeakPolarHBondContact OD2-CB 3.45Å; D86-T89 PolarHBondContact OD2-OG1 3.05Å; D86-G90 PolarHBondContact O-N 3.25Å
87V82.7Confident88.1Confident6 Ų648.8 Ų48.84%0.03628%0.276CS..Hα-helixtrans-66.3-30177.8178.10000111.5P83 G90 V91 V121P83-V87 HydrophobicContact CB-CG2 4.21Å; V87-G90 PolarHBondContact O-N 3.3Å; V87-V91 HydrophobicContact CG1-CG2 4.34Å; V87-V91 WeakPolarHBondContact O-CG2 3.42Å; V87-V91 PolarHBondContact O-N 3.38Å; V87-V121 HydrophobicContact CG1-CG1 3.84Å; V87-V121 HydrophobicContact CG1-CG2 4.34Å; V87-V121 HydrophobicContact CG2-CG2 4.18Å
88S87.6Confident88.4Confident45 Ų4546.8 Ų46.832%0.31525%0.254SS..Hα-helixtrans-59.7-49.7176.3-169.10000111.9D86 G90 V91 S92 I125D86-S88 PolarHBondContact O-N 2.81Å; D86-S88 WeakPolarHBondContact OD1-CB 3.48Å; D86-S88 PolarHBondContact OD1-N 2.91Å; S88-G90 VanDerWaalsContact C-N 3.27Å; S88-G90 PolarHBondContact O-N 3.18Å; S88-V91 PolarHBondContact O-N 2.92Å; S88-S92 PolarHBondContact O-N 2.91Å; S88-S92 PolarHBondContact O-OG 2.88Å; S88-S92 VanDerWaalsContact O-OG 3.12Å; S88-I125 VanDerWaalsContact CA-CD1 3.47Å
89T90.4Very high88.6Confident82 Ų8245.7 Ų45.750%0.50325%0.248SC..Hα-helixtrans-59.3-38.7175.5-72.50000112.2D86 S92 L93D86-T89 VanDerWaalsContact CG-CB 3.47Å; D86-T89 PolarHBondContact O-N 2.89Å; D86-T89 PolarHBondContact OD1-N 3.1Å; D86-T89 PolarHBondContact OD1-OG1 2.94Å; D86-T89 VanDerWaalsContact OD2-CB 3.25Å; D86-T89 WeakPolarHBondContact OD2-CB 3.45Å; D86-T89 PolarHBondContact OD2-OG1 3.05Å; T89-S92 PolarHBondContact O-N 2.83Å; T89-L93 WeakPolarHBondContact O-CB 3.44Å; T89-L93 PolarHBondContact O-N 3.37Å
90G92.9Very high88.8Confident8 Ų848 Ų488%0.08226%0.258CS..Hα-helixtrans-61.4-49174.900000112.8D86 V87 S88 L93 V94D86-G90 PolarHBondContact O-N 3.25Å; V87-G90 PolarHBondContact O-N 3.3Å; S88-G90 VanDerWaalsContact C-N 3.27Å; S88-G90 PolarHBondContact O-N 3.18Å; G90-L93 PolarHBondContact O-N 3.09Å; G90-V94 PolarHBondContact O-N 3.48Å
91V95.1Very high89.1Confident4 Ų449.2 Ų49.22%0.02426%0.264CS..Hα-helixtrans-62.2-43.3177.2174.60000111F80 V87 S88 L93 V94 A95 F106 P108 I125 V137F80-V91 HydrophobicContact CD1-CG2 3.71Å; F80-V91 HydrophobicContact CE1-CB 4.32Å; F80-V91 HydrophobicContact CE1-CG2 3.78Å; F80-V91 HydrophobicContact CG-CG2 4.45Å; V87-V91 HydrophobicContact CG1-CG2 4.34Å; V87-V91 WeakPolarHBondContact O-CG2 3.42Å; V87-V91 PolarHBondContact O-N 3.38Å; S88-V91 PolarHBondContact O-N 2.92Å; V91-L93 PolarHBondContact O-N 3.22Å; V91-V94 PolarHBondContact O-N 3.32Å; V91-A95 VanDerWaalsContact O-CB 3.28Å; V91-A95 WeakPolarHBondContact O-CB 3.42Å; V91-A95 PolarHBondContact O-N 3.46Å; V91-F106 HydrophobicContact CG1-CE2 4.45Å; V91-F106 HydrophobicContact CG1-CZ 3.89Å; V91-P108 HydrophobicContact CG1-CG 4.15Å; V91-I125 HydrophobicContact CB-CD1 3.83Å; V91-I125 HydrophobicContact CG1-CD1 4.19Å; V91-I125 HydrophobicContact CG1-CG2 4.46Å; V91-I125 HydrophobicContact CG2-CD1 3.82Å; V91-I125 HydrophobicContact CG2-CG1 4.16Å; V91-V137 HydrophobicContact CG1-CG2 4.05Å
92S95.6Very high89.4Confident60 Ų6049.2 Ų49.242%0.4226%0.264SS..Hα-helixtrans-61.9-39.8176.7-620000112.8S88 T89 A95 K96S88-S92 PolarHBondContact O-N 2.91Å; S88-S92 PolarHBondContact O-OG 2.88Å; S88-S92 VanDerWaalsContact O-OG 3.12Å; T89-S92 PolarHBondContact O-N 2.83Å; S92-A95 PolarHBondContact O-N 2.95Å; S92-K96 WeakPolarHBondContact O-CB 3.39Å; S92-K96 PolarHBondContact O-N 3.04Å
93L96.4Very high90.1Very high77 Ų7745.5 Ų45.540%0.40325%0.247SC..Hα-helixtrans-60.4-48.4175.6175.362000111.3V78 T89 G90 V91 K96 K97V78-L93 HydrophobicContact CG2-CD2 3.86Å; T89-L93 WeakPolarHBondContact O-CB 3.44Å; T89-L93 PolarHBondContact O-N 3.37Å; G90-L93 PolarHBondContact O-N 3.09Å; V91-L93 PolarHBondContact O-N 3.22Å; L93-K96 PolarHBondContact O-N 2.86Å; L93-K97 HydrophobicContact CD1-CG 4.21Å; L93-K97 WeakPolarHBondContact O-CB 3.36Å; L93-K97 VanDerWaalsContact O-CG 3.31Å; L93-K97 WeakPolarHBondContact O-CG 3.29Å; L93-K97 PolarHBondContact O-N 2.81Å; L93-K97 VanDerWaalsContact O-N 3.09Å
94V97.5Very high91.7Very high0 Ų043.3 Ų43.30%023%0.232CC..Hα-helixtrans-64.2-45.9177.8-179.90000110.2I72 G75 V78 F80 G90 V91 K96 K97 I98I72-V94 HydrophobicContact CD1-CG1 4.17Å; G75-V94 WeakPolarHBondContact O-CG2 3.4Å; V78-V94 HydrophobicContact CB-CG2 3.77Å; V78-V94 HydrophobicContact CG1-CG2 4.22Å; V78-V94 HydrophobicContact CG2-CG2 4.14Å; F80-V94 HydrophobicContact CE1-CB 4.04Å; F80-V94 HydrophobicContact CE1-CG2 3.75Å; F80-V94 HydrophobicContact CZ-CB 3.78Å; F80-V94 HydrophobicContact CZ-CG1 3.81Å; F80-V94 HydrophobicContact CZ-CG2 3.85Å; G90-V94 PolarHBondContact O-N 3.48Å; V91-V94 PolarHBondContact O-N 3.32Å; V94-K96 VanDerWaalsContact C-N 3.25Å; V94-K96 PolarHBondContact O-N 3.21Å; V94-K97 PolarHBondContact O-N 3.41Å; V94-I98 HydrophobicContact CG1-CG2 3.86Å; V94-I98 WeakPolarHBondContact O-CG1 3.37Å; V94-I98 WeakPolarHBondContact O-CG2 3.44Å; V94-I98 PolarHBondContact O-N 3.3Å
95A98.4Very high93.2Very high5 Ų539.9 Ų39.94%0.04121%0.209CC..Hα-helixtrans-55.3-39.4177.900000112.5V91 S92 F106 G134 A135V91-A95 VanDerWaalsContact O-CB 3.28Å; V91-A95 WeakPolarHBondContact O-CB 3.42Å; V91-A95 PolarHBondContact O-N 3.46Å; S92-A95 PolarHBondContact O-N 2.95Å; A95-F106 HydrophobicContact CB-CE1 3.59Å; A95-F106 HydrophobicContact CB-CZ 3.84Å; A95-G134 WeakPolarHBondContact O-CA 3.36Å; A95-A135 HydrophobicContact CB-CB 4.49Å; A95-A135 PolarHBondContact O-N 3.45Å
96K98.3Very high95Very high86 Ų8630.2 Ų30.237%0.37416%0.164SC..Hα-helixtrans-70.3-40.9176.3-175.263.7-178.6171.10112.2S92 L93 V94 L99 P132 E133S92-K96 WeakPolarHBondContact O-CB 3.39Å; S92-K96 PolarHBondContact O-N 3.04Å; L93-K96 PolarHBondContact O-N 2.86Å; V94-K96 VanDerWaalsContact C-N 3.25Å; V94-K96 PolarHBondContact O-N 3.21Å; K96-L99 HydrophobicContact CD-CD1 4.07Å; K96-L99 WeakPolarHBondContact O-CB 3.46Å; K96-L99 WeakPolarHBondContact O-CG 3.5Å; K96-P132 PolarHBondContact NZ-O 2.91Å; K96-E133 WeakPolarHBondContact CD-O 3.44Å
97K98.4Very high96.2Very high93 Ų9326.7 Ų26.740%0.40415%0.145SC..Hα-helixtrans-74.8-38.3-174.4-73.1-72.4-176179.70113.1Y76 L93 V94 L99 E100Y76-K97 HydrophobicContact CD1-CB 4.19Å; Y76-K97 HydrophobicContact CD1-CD 4.24Å; Y76-K97 HydrophobicContact CD1-CG 4.13Å; Y76-K97 HydrophobicContact CD2-CB 3.48Å; Y76-K97 VanDerWaalsContact CD2-CB 3.48Å; Y76-K97 HydrophobicContact CD2-CG 3.99Å; Y76-K97 HydrophobicContact CE1-CB 3.94Å; Y76-K97 HydrophobicContact CE1-CD 4.17Å; Y76-K97 HydrophobicContact CE1-CG 4.25Å; Y76-K97 HydrophobicContact CE2-CB 3.24Å; Y76-K97 HydrophobicContact CE2-CG 4.17Å; Y76-K97 HydrophobicContact CG-CB 3.95Å; Y76-K97 HydrophobicContact CG-CG 3.97Å; Y76-K97 VanDerWaalsContact CZ-CB 3.47Å; L93-K97 HydrophobicContact CD1-CG 4.21Å; L93-K97 WeakPolarHBondContact O-CB 3.36Å; L93-K97 VanDerWaalsContact O-CG 3.31Å; L93-K97 WeakPolarHBondContact O-CG 3.29Å; L93-K97 PolarHBondContact O-N 2.81Å; L93-K97 VanDerWaalsContact O-N 3.09Å; V94-K97 PolarHBondContact O-N 3.41Å; K97-L99 PolarHBondContact O-N 3.08Å; K97-L99 VanDerWaalsContact O-N 3.12Å; K97-E100 VanDerWaalsContact O-CG 3.23Å; K97-E100 WeakPolarHBondContact O-CG 3.47Å; K97-E100 PolarHBondContact O-N 3.15Å
98I98.6Very high96.9Very high4 Ų426.4 Ų26.42%0.02114%0.144CC..G310 helixtrans-68.1-11.1-179.265.3-175.6000114.3I72 Y76 V94 E100 H101 V103 F106 A135 M299I72-I98 HydrophobicContact CD1-CG2 4.22Å; Y76-I98 HydrophobicContact CE2-CG2 4.23Å; V94-I98 HydrophobicContact CG1-CG2 3.86Å; V94-I98 WeakPolarHBondContact O-CG1 3.37Å; V94-I98 WeakPolarHBondContact O-CG2 3.44Å; V94-I98 PolarHBondContact O-N 3.3Å; I98-E100 PolarHBondContact O-N 3.23Å; I98-H101 PolarHBondContact O-N 2.9Å; I98-V103 HydrophobicContact CB-CB 4.11Å; I98-V103 HydrophobicContact CB-CG2 4.48Å; I98-V103 HydrophobicContact CD1-CB 4.18Å; I98-V103 HydrophobicContact CD1-CG1 3.79Å; I98-V103 HydrophobicContact CG1-CB 4.03Å; I98-V103 HydrophobicContact CG1-CG1 4.19Å; I98-V103 PolarHBondContact O-N 2.97Å; I98-F106 HydrophobicContact CD1-CB 4.19Å; I98-F106 HydrophobicContact CD1-CD1 3.68Å; I98-F106 HydrophobicContact CD1-CD2 4.27Å; I98-F106 HydrophobicContact CD1-CE1 4.08Å; I98-F106 HydrophobicContact CD1-CG 3.79Å; I98-F106 HydrophobicContact CD1-CZ 4.5Å; I98-A135 HydrophobicContact CD1-CB 3.96Å; I98-A135 HydrophobicContact CG1-CB 4.05Å; I98-M299 HydrophobicContact CG2-CE 3.92Å
99L98.6Very high97.4Very high0 Ų024.3 Ų24.30%013%0.129CC..G310 helixtrans-56.7-32.4170.3-63.8179.2000112.2K96 K97 H101 G102 V103 A135 T394 I396 V401 W402K96-L99 HydrophobicContact CD-CD1 4.07Å; K96-L99 WeakPolarHBondContact O-CB 3.46Å; K96-L99 WeakPolarHBondContact O-CG 3.5Å; K97-L99 PolarHBondContact O-N 3.08Å; K97-L99 VanDerWaalsContact O-N 3.12Å; L99-H101 PolarHBondContact O-N 3.23Å; L99-G102 PolarHBondContact O-N 2.55Å; L99-G102 VanDerWaalsContact O-N 3.13Å; L99-V103 WeakPolarHBondContact CD2-O 3.46Å; L99-A135 HydrophobicContact CD2-CB 4.21Å; L99-T394 HydrophobicContact CD2-CG2 4.43Å; L99-T394 WeakPolarHBondContact O-CB 3.36Å; L99-T394 PolarHBondContact O-OG1 3.22Å; L99-I396 HydrophobicContact CD2-CD1 3.61Å; L99-V401 HydrophobicContact CD1-CB 3.9Å; L99-V401 HydrophobicContact CD1-CG2 3.8Å; L99-V401 HydrophobicContact CD2-CG2 3.87Å; L99-V401 HydrophobicContact CG-CG2 4.32Å; L99-W402 HydrophobicContact CB-CB 3.93Å; L99-W402 HydrophobicContact CB-CG 4.48Å
100E98.1Very high97.7Very high59 Ų5920.4 Ų20.428%0.27611%0.105SC..G310 helixtrans-66.3-21.2178.583.8-170.1157.300113.1Y76 K97 I98 W402Y76-E100 PolarHBondContact OH-OE1 3.04Å; K97-E100 VanDerWaalsContact O-CG 3.23Å; K97-E100 WeakPolarHBondContact O-CG 3.47Å; K97-E100 PolarHBondContact O-N 3.15Å; I98-E100 PolarHBondContact O-N 3.23Å; E100-W402 VanDerWaalsContact CA-CE2 3.43Å; E100-W402 HydrophobicContact CB-CD2 3.92Å; E100-W402 HydrophobicContact CB-CG 4.22Å; E100-W402 HydrophobicContact CB-CH2 4.31Å; E100-W402 HydrophobicContact CB-CZ2 3.52Å
101H98.5Very high97.9Very high27 Ų2720.3 Ų20.313%0.12510%0.103CC..G310 helixtrans-10115.1178.3-54.1-54.3000112.3F67 Y76 I98 L99 V103 T334 D336F67-H101 WeakPolarHBondContact CD2-O 2.95Å; Y76-H101 PolarHBondContact OH-CD2 2.89Å; Y76-H101 VanDerWaalsContact OH-CD2 3.29Å; Y76-H101 PolarHBondContact OH-NE2 3.49Å; I98-H101 PolarHBondContact O-N 2.9Å; L99-H101 PolarHBondContact O-N 3.23Å; H101-V103 VanDerWaalsContact C-N 3.27Å; H101-V103 PolarHBondContact O-N 3.16Å; H101-T334 VanDerWaalsContact CE1-CG2 3.41Å; H101-T334 WeakPolarHBondContact CE1-CG2 3.32Å; H101-T334 VanDerWaalsContact CG-CB 3.48Å; H101-T334 WeakPolarHBondContact NE2-CG2 3.4Å; H101-D336 IonicContact CG-OD1 2.77Å; H101-D336 IonicContact ND1-OD1 3.5Å; H101-D336 PolarHBondContact ND1-OD1 3.32Å
102G98.6Very high98Very high0 Ų020.1 Ų20.10%010%0.102CC..THydrogen-bonded Turntrans776.1176.700000114.9F67 L99 T104F67-G102 WeakPolarHBondContact CB-O 3.41Å; F67-G102 PolarHBondContact N-O 2.68Å; L99-G102 PolarHBondContact O-N 2.55Å; L99-G102 VanDerWaalsContact O-N 3.13Å; G102-T104 PolarHBondContact O-N 3.17Å
103V98.9Very high97.9Very high3 Ų317.3 Ų17.32%0.0188%0.082CC..EExtended strand (participates in β ladder)trans-80.9116.6180-1760000109.6F67 D69 I98 L99 H101 S105 F106 M335F67-V103 HydrophobicContact CB-CG2 4.39Å; F67-V103 WeakPolarHBondContact O-CA 3.48Å; D69-V103 HydrophobicContact CB-CG1 4.17Å; I98-V103 HydrophobicContact CB-CB 4.11Å; I98-V103 HydrophobicContact CB-CG2 4.48Å; I98-V103 HydrophobicContact CD1-CB 4.18Å; I98-V103 HydrophobicContact CD1-CG1 3.79Å; I98-V103 HydrophobicContact CG1-CB 4.03Å; I98-V103 HydrophobicContact CG1-CG1 4.19Å; I98-V103 PolarHBondContact O-N 2.97Å; L99-V103 WeakPolarHBondContact CD2-O 3.46Å; H101-V103 VanDerWaalsContact C-N 3.27Å; H101-V103 PolarHBondContact O-N 3.16Å; V103-S105 VanDerWaalsContact CG1-O 3.24Å; V103-S105 WeakPolarHBondContact CG1-O 3.17Å; V103-F106 HydrophobicContact CG1-CB 4.23Å; V103-M335 HydrophobicContact CG2-CB 3.47Å; V103-M335 VanDerWaalsContact CG2-CB 3.47Å; V103-M335 HydrophobicContact CG2-CG 4.06Å
104T98.9Very high97.8Very high2 Ų215.2 Ų15.21%0.0127%0.073CC..EExtended strand (participates in β ladder)trans-104.6-13.8179.159.70000112.7G66 F67 G102 A135 G136 D381 T394 I396G66-T104 WeakPolarHBondContact CA-OG1 3.33Å; F67-T104 PolarHBondContact O-N 3.47Å; G102-T104 PolarHBondContact O-N 3.17Å; T104-A135 CarbonylContact O-C 3.53Å; T104-A135 WeakPolarHBondContact O-CA 3.26Å; T104-G136 PolarHBondContact O-N 3.22Å; T104-D381 HydrophobicContact CG2-CB 4.22Å; T104-T394 HydrophobicContact CG2-CG2 3.67Å; T104-I396 HydrophobicContact CG2-CD1 4.3Å; T104-I396 HydrophobicContact CG2-CG1 3.8Å
105S98.8Very high97.7Very high0 Ų017.5 Ų17.50%09%0.088CC..EExtended strand (participates in β ladder)trans-150.8149.2175.9-63.50000110.8F67 I68 D69 V103 G136 K371F67-S105 PolarHBondContact O-N 3.39Å; I68-S105 VanDerWaalsContact CA-O 3.28Å; I68-S105 WeakPolarHBondContact CA-O 3.15Å; D69-S105 PolarHBondContact N-O 3.38Å; D69-S105 VanDerWaalsContact N-O 3.14Å; V103-S105 VanDerWaalsContact CG1-O 3.24Å; V103-S105 WeakPolarHBondContact CG1-O 3.17Å; S105-G136 CarbonylContact C-O 3.48Å; S105-G136 WeakPolarHBondContact CA-O 3.17Å; S105-K371 WeakPolarHBondContact OG-CE 3.46Å
106F98.9Very high97.5Very high0 Ų020.7 Ų20.70%011%0.114CC..EExtended strand (participates in β ladder)trans-155.4166-178.273.1-69.2000113.2D69 I72 F80 V91 A95 I98 V103 P108 A135 G136 V137 L138D69-F106 HydrophobicContact CB-CB 4.25Å; D69-F106 CarbonylContact O-C 3.59Å; D69-F106 WeakPolarHBondContact O-CA 3.37Å; D69-F106 WeakPolarHBondContact O-CB 3.39Å; I72-F106 HydrophobicContact CG2-CB 4.24Å; I72-F106 HydrophobicContact CG2-CD2 3.62Å; I72-F106 HydrophobicContact CG2-CE2 4.49Å; I72-F106 HydrophobicContact CG2-CG 4.39Å; F80-F106 HydrophobicContact CE2-CE2 4.19Å; F80-F106 HydrophobicContact CZ-CE2 4.07Å; V91-F106 HydrophobicContact CG1-CE2 4.45Å; V91-F106 HydrophobicContact CG1-CZ 3.89Å; A95-F106 HydrophobicContact CB-CE1 3.59Å; A95-F106 HydrophobicContact CB-CZ 3.84Å; I98-F106 HydrophobicContact CD1-CB 4.19Å; I98-F106 HydrophobicContact CD1-CD1 3.68Å; I98-F106 HydrophobicContact CD1-CD2 4.27Å; I98-F106 HydrophobicContact CD1-CE1 4.08Å; I98-F106 HydrophobicContact CD1-CG 3.79Å; I98-F106 HydrophobicContact CD1-CZ 4.5Å; V103-F106 HydrophobicContact CG1-CB 4.23Å; F106-P108 HydrophobicContact CD2-CG 4.13Å; F106-P108 HydrophobicContact CE2-CB 4.2Å; F106-P108 HydrophobicContact CE2-CG 3.6Å; F106-P108 HydrophobicContact CZ-CG 4.15Å; F106-A135 HydrophobicContact CD1-CB 3.82Å; F106-A135 HydrophobicContact CE1-CB 4.09Å; F106-G136 WeakPolarHBondContact CD1-O 3.25Å; F106-G136 PolarHBondContact N-O 3.25Å; F106-V137 HydrophobicContact CE1-CG2 3.86Å; F106-V137 HydrophobicContact CZ-CG2 3.97Å; F106-L138 PolarHBondContact O-N 2.55Å
107C98.8Very high97.3Very high0 Ų017.2 Ų17.20%010%0.1CC..EExtended strand (participates in β ladder)trans-111.3105171.3-670000110D69 T109 G139 H141D69-C107 PolarHBondContact O-N 2.97Å; C107-T109 PolarHBondContact O-N 3.01Å; C107-T109 PolarHBondContact O-OG1 2.76Å; C107-G139 VanDerWaalsContact CA-O 3.27Å; C107-G139 WeakPolarHBondContact CA-O 2.88Å; C107-G139 VanDerWaalsContact CB-O 3.32Å; C107-G139 WeakPolarHBondContact CB-O 3.33Å; C107-G139 PolarHBondContact SG-O 3.4Å; C107-G139 VanDerWaalsContact SG-O 3.41Å; C107-H141 HydrophobicContact CB-CB 4.09Å
108P97.9Very high97.2Very high0 Ų012.8 Ų12.80%08%0.081CC..EExtended strand (participates in β ladder)trans-56.2125.4171.9-16.825.8000109.7F80 V91 F106 V137 F140 H141F80-P108 HydrophobicContact CD2-CB 3.74Å; F80-P108 HydrophobicContact CE2-CB 3.88Å; F80-P108 HydrophobicContact CG-CB 4.3Å; V91-P108 HydrophobicContact CG1-CG 4.15Å; F106-P108 HydrophobicContact CD2-CG 4.13Å; F106-P108 HydrophobicContact CE2-CB 4.2Å; F106-P108 HydrophobicContact CE2-CG 3.6Å; F106-P108 HydrophobicContact CZ-CG 4.15Å; P108-V137 HydrophobicContact CG-CG1 3.92Å; P108-V137 HydrophobicContact CG-CG2 4.39Å; P108-F140 HydrophobicContact CB-CD1 3.87Å; P108-F140 HydrophobicContact CB-CE1 3.93Å; P108-F140 HydrophobicContact CG-CD1 4.45Å; P108-F140 HydrophobicContact CG-CE1 4.46Å; P108-F140 WeakPolarHBondContact O-CA 3.49Å; P108-F140 WeakPolarHBondContact O-CD1 3.32Å; P108-H141 PolarHBondContact O-N 2.8Å
109T98.1Very high97Very high0 Ų016.9 Ų16.90%010%0.1CC..EExtended strand (participates in β ladder)trans-99.9125.1-174.7-52.40000111.1Q71 I72 N73 C107 H141 E143Q71-T109 WeakPolarHBondContact CA-OG1 3.36Å; Q71-T109 HydrophobicContact CG-CG2 4.41Å; I72-T109 PolarHBondContact N-OG1 2.9Å; I72-T109 VanDerWaalsContact O-CB 3.25Å; I72-T109 WeakPolarHBondContact O-CB 3.3Å; I72-T109 PolarHBondContact O-N 3.06Å; I72-T109 PolarHBondContact O-OG1 3.33Å; N73-T109 WeakPolarHBondContact OD1-CG2 3.37Å; C107-T109 PolarHBondContact O-N 3.01Å; C107-T109 PolarHBondContact O-OG1 2.76Å; T109-H141 CarbonylContact C-O 3.59Å; T109-H141 VanDerWaalsContact CA-O 3.24Å; T109-H141 WeakPolarHBondContact CA-O 3.47Å; T109-H141 HydrophobicContact CG2-CB 4.22Å; T109-H141 WeakPolarHBondContact CG2-ND1 3.44Å; T109-H141 PolarHBondContact OG1-ND1 3.31Å; T109-E143 HydrophobicContact CG2-CB 4.01Å
110L96.9Very high96.6Very high0 Ų020.9 Ų20.90%012%0.118CC..EExtended strand (participates in β ladder)trans-103.6116.2171.1-58.1-176.7000109.4F80 S81 Y118 V121 L122 F140 H141 L142 E143F80-L110 VanDerWaalsContact C-CD2 3.44Å; F80-L110 HydrophobicContact CB-CD2 3.79Å; F80-L110 WeakPolarHBondContact O-CD2 3.3Å; S81-L110 WeakPolarHBondContact OG-CA 3.37Å; L110-Y118 HydrophobicContact CB-CD1 4.32Å; L110-Y118 HydrophobicContact CB-CE1 3.88Å; L110-Y118 HydrophobicContact CD1-CD1 3.9Å; L110-Y118 HydrophobicContact CD1-CE1 4.32Å; L110-V121 HydrophobicContact CD1-CB 4.11Å; L110-V121 HydrophobicContact CD1-CG1 3.81Å; L110-V121 HydrophobicContact CD2-CG1 4.09Å; L110-L122 HydrophobicContact CD1-CD2 4.03Å; L110-L122 HydrophobicContact CD1-CG 4.45Å; L110-F140 HydrophobicContact CD1-CD1 4.07Å; L110-F140 HydrophobicContact CD1-CE1 4.19Å; L110-F140 HydrophobicContact CD2-CE1 4.38Å; L110-F140 HydrophobicContact CG-CD1 3.94Å; L110-F140 HydrophobicContact CG-CE1 4.22Å; L110-H141 PolarHBondContact N-O 2.89Å; L110-L142 HydrophobicContact CB-CD2 3.93Å; L110-L142 HydrophobicContact CD1-CD2 3.99Å; L110-L142 HydrophobicContact CG-CD2 4.28Å; L110-E143 PolarHBondContact O-N 2.57Å
111V96.1Very high96.4Very high7 Ų718 Ų184%0.04211%0.105CC..EExtended strand (participates in β ladder)trans-76.9169.5174.2-60.10000110.8N73 S81 S113 Y118 E143 L308N73-V111 VanDerWaalsContact OD1-CG1 3.27Å; N73-V111 WeakPolarHBondContact OD1-CG1 3.48Å; S81-V111 PolarHBondContact OG-N 2.71Å; V111-S113 WeakPolarHBondContact O-CB 3.34Å; V111-S113 PolarHBondContact O-N 3.32Å; V111-S113 PolarHBondContact O-OG 3.31Å; V111-Y118 PolarHBondContact O-OH 3.11Å; V111-E143 CarbonylContact C-O 3.5Å; V111-L308 HydrophobicContact CG1-CD1 4.18Å; V111-L308 HydrophobicContact CG1-CG 4.49Å; V111-L308 HydrophobicContact CG2-CD1 4.5Å; V111-L308 HydrophobicContact CG2-CG 4.45Å
112T96.9Very high96.2Very high0 Ų017 Ų170%010%0.101CC..SBendtrans-46.2110.7176.6-64.30000111.8Y118 E143 P145 H155 P156 F159 L160 Q310T112-Y118 VanDerWaalsContact CA-OH 3.31Å; T112-Y118 WeakPolarHBondContact CA-OH 3.27Å; T112-E143 PolarHBondContact N-O 3.22Å; T112-E143 PolarHBondContact OG1-O 2.93Å; T112-P145 HydrophobicContact CG2-CB 3.55Å; T112-P145 WeakPolarHBondContact OG1-CA 3.18Å; T112-H155 VanDerWaalsContact CB-ND1 3.28Å; T112-H155 WeakPolarHBondContact CB-ND1 3.43Å; T112-H155 HydrophobicContact CG2-CB 4.48Å; T112-H155 PolarHBondContact N-ND1 3Å; T112-H155 PolarHBondContact OG1-ND1 2.75Å; T112-P156 HydrophobicContact CG2-CG 4.27Å; T112-P156 WeakPolarHBondContact O-CD 3.46Å; T112-P156 VanDerWaalsContact O-CG 3.27Å; T112-P156 WeakPolarHBondContact O-CG 3.24Å; T112-F159 HydrophobicContact CG2-CB 3.84Å; T112-L160 HydrophobicContact CG2-CD2 3.87Å; T112-Q310 PolarHBondContact O-OE1 3.1Å
113S95.4Very high95.9Very high1 Ų121.2 Ų21.21%0.00713%0.127CC..  trans-134.7164.6-175.2-67.80000110.4V111 Y118 Q310V111-S113 WeakPolarHBondContact O-CB 3.34Å; V111-S113 PolarHBondContact O-N 3.32Å; V111-S113 PolarHBondContact O-OG 3.31Å; S113-Y118 PolarHBondContact N-OH 3.45Å; S113-Y118 VanDerWaalsContact O-CE2 3.22Å; S113-Y118 WeakPolarHBondContact O-CE2 3.21Å; S113-Q310 PolarHBondContact OG-NE2 3.4Å
114P94.1Very high95.5Very high32 Ų3224.2 Ų24.221%0.20814%0.142CC..  trans-58.2148.2169.8-20.630.8000111.4A116 V117 F159P114-A116 PolarHBondContact O-N 2.82Å; P114-A116 VanDerWaalsContact O-N 3.1Å; P114-V117 HydrophobicContact CG-CG2 4.39Å; P114-V117 WeakPolarHBondContact O-CB 3.36Å; P114-V117 PolarHBondContact O-N 3.48Å; P114-F159 HydrophobicContact CB-CE1 4.47Å; P114-F159 HydrophobicContact CG-CD1 4.04Å; P114-F159 HydrophobicContact CG-CD2 4.08Å; P114-F159 HydrophobicContact CG-CE1 3.7Å; P114-F159 HydrophobicContact CG-CE2 3.76Å; P114-F159 HydrophobicContact CG-CG 4.25Å; P114-F159 HydrophobicContact CG-CZ 3.54Å
115P95.2Very high95.1Very high49 Ų4924.5 Ų24.532%0.31814%0.143SC..Hα-helixtrans-47.5-43.3175.9-31.336.7000113.6V117 Y118 H119P115-V117 PolarHBondContact O-N 3.36Å; P115-V117 VanDerWaalsContact O-N 3.07Å; P115-Y118 PolarHBondContact O-N 2.8Å; P115-H119 PolarHBondContact O-CD2 3.49Å; P115-H119 PolarHBondContact O-N 2.87Å
116A94.1Very high94.9Very high71 Ų7129.4 Ų29.459%0.58717%0.169SC*.Hα-helixtrans-53.3-32.6179.600000113.9P114 Q120P114-A116 PolarHBondContact O-N 2.82Å; P114-A116 VanDerWaalsContact O-N 3.1Å; A116-Q120 VanDerWaalsContact O-CB 3.26Å; A116-Q120 WeakPolarHBondContact O-CB 3.31Å; A116-Q120 PolarHBondContact O-N 3.17Å
117V93.8Very high94.8Very high13 Ų1333.1 Ų33.18%0.07919%0.192CC..Hα-helixtrans-68.3-47.3176.51770000110.6P83 P114 P115 H119 Q120 V121P83-V117 HydrophobicContact CG-CG1 4.42Å; P83-V117 HydrophobicContact CG-CG2 4.21Å; P114-V117 HydrophobicContact CG-CG2 4.39Å; P114-V117 WeakPolarHBondContact O-CB 3.36Å; P114-V117 PolarHBondContact O-N 3.48Å; P115-V117 PolarHBondContact O-N 3.36Å; P115-V117 VanDerWaalsContact O-N 3.07Å; V117-H119 PolarHBondContact O-N 2.85Å; V117-Q120 PolarHBondContact O-N 3.45Å; V117-V121 HydrophobicContact CG1-CG2 4.02Å; V117-V121 WeakPolarHBondContact O-CB 3.46Å; V117-V121 VanDerWaalsContact O-CG2 3.25Å; V117-V121 WeakPolarHBondContact O-CG2 3.49Å; V117-V121 PolarHBondContact O-N 3.22Å
118Y95.6Very high94.7Very high0 Ų037.3 Ų37.30%021%0.211CC..Hα-helixtrans-61.8-46.3178.1-58.6-65.4000111.5L110 V111 T112 S113 P115 Q120 V121 L122 L142 G144 P145 T174 Y175L110-Y118 HydrophobicContact CB-CD1 4.32Å; L110-Y118 HydrophobicContact CB-CE1 3.88Å; L110-Y118 HydrophobicContact CD1-CD1 3.9Å; L110-Y118 HydrophobicContact CD1-CE1 4.32Å; V111-Y118 PolarHBondContact O-OH 3.11Å; T112-Y118 VanDerWaalsContact CA-OH 3.31Å; T112-Y118 WeakPolarHBondContact CA-OH 3.27Å; S113-Y118 PolarHBondContact N-OH 3.45Å; S113-Y118 VanDerWaalsContact O-CE2 3.22Å; S113-Y118 WeakPolarHBondContact O-CE2 3.21Å; P115-Y118 PolarHBondContact O-N 2.8Å; Y118-Q120 PolarHBondContact O-N 3.27Å; Y118-V121 PolarHBondContact O-N 3Å; Y118-L122 VanDerWaalsContact O-CB 3.32Å; Y118-L122 WeakPolarHBondContact O-CB 3.41Å; Y118-L122 WeakPolarHBondContact O-CG 3.31Å; Y118-L122 PolarHBondContact O-N 3.2Å; Y118-L142 HydrophobicContact CD1-CD2 3.93Å; Y118-L142 HydrophobicContact CE1-CD2 3.97Å; Y118-G144 PolarHBondContact OH-O 3.49Å; Y118-P145 HydrophobicContact CE2-CG 4.4Å; Y118-T174 HydrophobicContact CD2-CG2 4.16Å; Y118-T174 HydrophobicContact CE2-CG2 4.14Å; Y118-Y175 AromaticContact CD1-CD1 3.96Å; Y118-Y175 HydrophobicContact CD1-CD1 3.96Å; Y118-Y175 HydrophobicContact CD1-CE1 4.3Å; Y118-Y175 AromaticContact CD2-CD1 3.82Å; Y118-Y175 HydrophobicContact CD2-CD1 3.82Å; Y118-Y175 HydrophobicContact CD2-CE1 4.21Å; Y118-Y175 HydrophobicContact CE1-CD1 4.21Å; Y118-Y175 HydrophobicContact CE1-CE1 4.07Å; Y118-Y175 HydrophobicContact CE2-CD1 4.08Å; Y118-Y175 AromaticContact CE2-CE1 3.98Å; Y118-Y175 HydrophobicContact CE2-CE1 3.98Å; Y118-Y175 AromaticContact CG-CD1 3.77Å; Y118-Y175 HydrophobicContact CG-CD1 3.77Å; Y118-Y175 HydrophobicContact CG-CE1 4.38Å; Y118-Y175 AromaticContact CZ-CE1 3.91Å
119H94.1Very high94.6Very high91 Ų9141.5 Ų41.542%0.42123%0.233SC..Hα-helixtrans-61.5-29.5177.5-74.1-79000112.8P115 V117 P123 E173 G176P115-H119 PolarHBondContact O-CD2 3.49Å; P115-H119 PolarHBondContact O-N 2.87Å; V117-H119 PolarHBondContact O-N 2.85Å; H119-P123 WeakPolarHBondContact O-CD 3.23Å; H119-P123 WeakPolarHBondContact O-CG 3.49Å; H119-E173 PolarHBondContact NE2-O 3.38Å; H119-G176 WeakPolarHBondContact CE1-CA 3.09Å; H119-G176 PolarHBondContact CE1-N 3Å
120Q91.6Very high94.5Very high83 Ų8342.1 Ų42.139%0.38824%0.24SC..Hα-helixtrans-80.9-44.5175.9-179.7177.6-1.800112.4A116 V117 Y118 Q124A116-Q120 VanDerWaalsContact O-CB 3.26Å; A116-Q120 WeakPolarHBondContact O-CB 3.31Å; A116-Q120 PolarHBondContact O-N 3.17Å; V117-Q120 PolarHBondContact O-N 3.45Å; Y118-Q120 PolarHBondContact O-N 3.27Å; Q120-Q124 WeakPolarHBondContact O-CG 3.41Å; Q120-Q124 PolarHBondContact O-NE2 2.72Å
121V93.3Very high94.5Very high0 Ų042.9 Ų42.90%025%0.247CC..Hα-helixtrans-83.9-45.3-168.5174.50000112.4P83 V87 L110 V117 Y118 P123 Q124 F140P83-V121 HydrophobicContact CB-CG2 4.47Å; V87-V121 HydrophobicContact CG1-CG1 3.84Å; V87-V121 HydrophobicContact CG1-CG2 4.34Å; V87-V121 HydrophobicContact CG2-CG2 4.18Å; L110-V121 HydrophobicContact CD1-CB 4.11Å; L110-V121 HydrophobicContact CD1-CG1 3.81Å; L110-V121 HydrophobicContact CD2-CG1 4.09Å; V117-V121 HydrophobicContact CG1-CG2 4.02Å; V117-V121 WeakPolarHBondContact O-CB 3.46Å; V117-V121 VanDerWaalsContact O-CG2 3.25Å; V117-V121 WeakPolarHBondContact O-CG2 3.49Å; V117-V121 PolarHBondContact O-N 3.22Å; Y118-V121 PolarHBondContact O-N 3Å; V121-P123 VanDerWaalsContact C-CD 3.49Å; V121-P123 VanDerWaalsContact C-N 3.35Å; V121-Q124 WeakPolarHBondContact O-CB 3.34Å; V121-Q124 PolarHBondContact O-N 3.07Å; V121-F140 HydrophobicContact CG1-CE1 3.77Å; V121-F140 HydrophobicContact CG1-CZ 3.69Å
122L94.5Very high94.4Very high6 Ų645.6 Ų45.63%0.03127%0.265CS..THydrogen-bonded Turntrans-58.2-37.2-172.8-68.6179.8000114.4L110 Y118 Q124 F140 L142 Y175 N180 V181L110-L122 HydrophobicContact CD1-CD2 4.03Å; L110-L122 HydrophobicContact CD1-CG 4.45Å; Y118-L122 VanDerWaalsContact O-CB 3.32Å; Y118-L122 WeakPolarHBondContact O-CB 3.41Å; Y118-L122 WeakPolarHBondContact O-CG 3.31Å; Y118-L122 PolarHBondContact O-N 3.2Å; L122-Q124 VanDerWaalsContact C-N 3.31Å; L122-Q124 PolarHBondContact O-N 2.94Å; L122-F140 HydrophobicContact CD2-CB 3.81Å; L122-F140 HydrophobicContact CD2-CD1 4.12Å; L122-F140 HydrophobicContact CD2-CD2 3.27Å; L122-F140 HydrophobicContact CD2-CE2 3.71Å; L122-F140 HydrophobicContact CD2-CG 3.47Å; L122-F140 VanDerWaalsContact CD2-CG 3.47Å; L122-F140 HydrophobicContact CD2-CZ 4.3Å; L122-L142 HydrophobicContact CD1-CD1 4.32Å; L122-L142 HydrophobicContact CD2-CD2 4.08Å; L122-Y175 WeakPolarHBondContact CD1-O 3.31Å; L122-N180 PolarHBondContact O-ND2 3.12Å; L122-V181 HydrophobicContact CD1-CG2 4.24Å; L122-V181 HydrophobicContact CD2-CG2 4.14Å
123P92.5Very high94.3Very high87 Ų8753.4 Ų53.457%0.56530%0.302SS*.THydrogen-bonded Turntrans-75.3-14.6176.7-18.834.2000114.8H119 V121H119-P123 WeakPolarHBondContact O-CD 3.23Å; H119-P123 WeakPolarHBondContact O-CG 3.49Å; V121-P123 VanDerWaalsContact C-CD 3.49Å; V121-P123 VanDerWaalsContact C-N 3.35Å
124Q91Very high94.4Very high67 Ų6753.6 Ų53.631%0.31330%0.304SS..THydrogen-bonded Turntrans-83.7-21.9-174.3-70.7-177.34700113.7Q120 V121 L122Q120-Q124 WeakPolarHBondContact O-CG 3.41Å; Q120-Q124 PolarHBondContact O-NE2 2.72Å; V121-Q124 WeakPolarHBondContact O-CB 3.34Å; V121-Q124 PolarHBondContact O-N 3.07Å; L122-Q124 VanDerWaalsContact C-N 3.31Å; L122-Q124 PolarHBondContact O-N 2.94Å
125I90.2Very high94.7Very high7 Ų752.1 Ų52.14%0.03629%0.294CS..  trans-118.3119.2-179-47.4-68.1000108.9S88 V91 V137 F140 N180S88-I125 VanDerWaalsContact CA-CD1 3.47Å; V91-I125 HydrophobicContact CB-CD1 3.83Å; V91-I125 HydrophobicContact CG1-CD1 4.19Å; V91-I125 HydrophobicContact CG1-CG2 4.46Å; V91-I125 HydrophobicContact CG2-CD1 3.82Å; V91-I125 HydrophobicContact CG2-CG1 4.16Å; I125-V137 HydrophobicContact CG2-CB 4.32Å; I125-V137 HydrophobicContact CG2-CG1 3.81Å; I125-V137 HydrophobicContact CG2-CG2 4.17Å; I125-F140 HydrophobicContact CB-CE2 3.68Å; I125-F140 HydrophobicContact CB-CZ 3.58Å; I125-F140 HydrophobicContact CG1-CE1 4.4Å; I125-F140 HydrophobicContact CG1-CE2 4.12Å; I125-F140 HydrophobicContact CG1-CZ 3.49Å; I125-F140 VanDerWaalsContact CG1-CZ 3.49Å; I125-F140 HydrophobicContact CG2-CE2 4.47Å; I125-F140 HydrophobicContact CG2-CZ 4.41Å; I125-N180 VanDerWaalsContact O-CG 3.26Å; I125-N180 PolarHBondContact O-ND2 2.87Å
126N93.4Very high94.8Very high103 Ų10349.8 Ų49.855%0.55128%0.279SS*.  trans-92.5153.6172.7-64.9-46.8000110.5H128 N180N126-H128 PolarHBondContact O-CD2 3.15Å; N126-H128 VanDerWaalsContact O-CD2 3.23Å; N126-H128 PolarHBondContact O-N 2.87Å; N126-N180 PolarHBondContact OD1-ND2 2.88Å
127V96.6Very high95Very high79 Ų7946.4 Ų46.448%0.47925%0.251SS..  trans-62.5127.6167.5178.30000109.1V137V127-V137 WeakPolarHBondContact CA-O 3.24Å; V127-V137 WeakPolarHBondContact CG1-O 3.22Å
128H96.6Very high95.2Very high88 Ų8847.2 Ų47.241%0.40726%0.255SS..BIsolated β-bridgetrans-150.1153.9178.267.180.3000111.8N126 G136 V137N126-H128 PolarHBondContact O-CD2 3.15Å; N126-H128 VanDerWaalsContact O-CD2 3.23Å; N126-H128 PolarHBondContact O-N 2.87Å; H128-G136 CarbonylContact O-C 3.56Å; H128-G136 VanDerWaalsContact O-CA 3.29Å; H128-G136 WeakPolarHBondContact O-CA 3.41Å; H128-V137 PolarHBondContact N-O 3.02Å; H128-V137 PolarHBondContact O-N 2.91Å
129N96.3Very high95.4Very high88 Ų8847.2 Ų47.247%0.47126%0.255SS..  trans-68.8154.7170.4-63.8-42.9000110.1R370N129-R370 PolarHBondContact OD1-NH2 3.02Å
130G96.8Very high95.6Very high13 Ų1343 Ų4313%0.13424%0.235CC..  trans-73179171.700000112G134 G136 I396G130-G134 CarbonylContact C-O 3.53Å; G130-G134 WeakPolarHBondContact CA-O 3.38Å; G130-G136 VanDerWaalsContact CA-CA 3.5Å; G130-G136 VanDerWaalsContact CA-N 3.28Å; G130-I396 WeakPolarHBondContact O-CG2 3.42Å
131G97.1Very high95.9Very high15 Ų1539 Ų3916%0.15522%0.217CC..BIsolated β-bridgetrans178.9-155.7174.200000111.3E133 G134G131-E133 PolarHBondContact O-N 2.94Å; G131-E133 VanDerWaalsContact O-N 3.08Å; G131-G134 PolarHBondContact N-O 3.21Å; G131-G134 PolarHBondContact O-N 3.02Å
132P94.4Very high96.2Very high65 Ų6539 Ų3942%0.42222%0.217SC..THydrogen-bonded Turntrans-54.2-29.5178.9-28.536.4000114.2K96 E399K96-P132 PolarHBondContact NZ-O 2.91Å; P132-E399 WeakPolarHBondContact CG-OE2 3.46Å
133E94.4Very high96.4Very high163 Ų16338.9 Ų38.976%0.76222%0.216SC*.THydrogen-bonded Turntrans-83.3-13.1-178.4-59-52.2129.500114.1K96 G131K96-E133 WeakPolarHBondContact CD-O 3.44Å; G131-E133 PolarHBondContact O-N 2.94Å; G131-E133 VanDerWaalsContact O-N 3.08Å
134G97.9Very high96.6Very high6 Ų634.7 Ų34.76%0.06219%0.189CC..BIsolated β-bridgetrans153.6176.4179.300000115.1A95 G130 G131A95-G134 WeakPolarHBondContact O-CA 3.36Å; G130-G134 CarbonylContact C-O 3.53Å; G130-G134 WeakPolarHBondContact CA-O 3.38Å; G131-G134 PolarHBondContact N-O 3.21Å; G131-G134 PolarHBondContact O-N 3.02Å
135A98.6Very high96.9Very high0 Ų031.5 Ų31.50%017%0.174CC..PPolyproline II helixtrans-58.8149.3171.500000111.8A95 I98 L99 T104 F106A95-A135 HydrophobicContact CB-CB 4.49Å; A95-A135 PolarHBondContact O-N 3.45Å; I98-A135 HydrophobicContact CD1-CB 3.96Å; I98-A135 HydrophobicContact CG1-CB 4.05Å; L99-A135 HydrophobicContact CD2-CB 4.21Å; T104-A135 CarbonylContact O-C 3.53Å; T104-A135 WeakPolarHBondContact O-CA 3.26Å; F106-A135 HydrophobicContact CD1-CB 3.82Å; F106-A135 HydrophobicContact CE1-CB 4.09Å
136G98.4Very high97.3Very high0 Ų031.2 Ų31.20%017%0.173CC..EExtended strand (participates in β ladder)trans-71.8141.7177.100000112.5T104 S105 F106 H128 G130T104-G136 PolarHBondContact O-N 3.22Å; S105-G136 CarbonylContact C-O 3.48Å; S105-G136 WeakPolarHBondContact CA-O 3.17Å; F106-G136 WeakPolarHBondContact CD1-O 3.25Å; F106-G136 PolarHBondContact N-O 3.25Å; H128-G136 CarbonylContact O-C 3.56Å; H128-G136 VanDerWaalsContact O-CA 3.29Å; H128-G136 WeakPolarHBondContact O-CA 3.41Å; G130-G136 VanDerWaalsContact CA-CA 3.5Å; G130-G136 VanDerWaalsContact CA-N 3.28Å
137V98.5Very high97.5Very high1 Ų126.5 Ų26.51%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-91.1116.4172.5176.10000108.6V91 F106 P108 I125 V127 H128 G139V91-V137 HydrophobicContact CG1-CG2 4.05Å; F106-V137 HydrophobicContact CE1-CG2 3.86Å; F106-V137 HydrophobicContact CZ-CG2 3.97Å; P108-V137 HydrophobicContact CG-CG1 3.92Å; P108-V137 HydrophobicContact CG-CG2 4.39Å; I125-V137 HydrophobicContact CG2-CB 4.32Å; I125-V137 HydrophobicContact CG2-CG1 3.81Å; I125-V137 HydrophobicContact CG2-CG2 4.17Å; V127-V137 WeakPolarHBondContact CA-O 3.24Å; V127-V137 WeakPolarHBondContact CG1-O 3.22Å; H128-V137 PolarHBondContact N-O 3.02Å; H128-V137 PolarHBondContact O-N 2.91Å; V137-G139 VanDerWaalsContact C-N 3.28Å
138L98.5Very high97.5Very high30 Ų3023 Ų2316%0.15713%0.127CC..  trans-85.1-4.2-179.5-60.1179.9000113.3I68 F106 L365 I367 K371I68-L138 HydrophobicContact CG2-CD1 3.52Å; F106-L138 PolarHBondContact O-N 2.55Å; L138-L365 HydrophobicContact CB-CD1 4.35Å; L138-L365 HydrophobicContact CD1-CD1 3.64Å; L138-I367 HydrophobicContact CD1-CD1 3.78Å; L138-I367 HydrophobicContact CD2-CD1 3.98Å; L138-K371 HydrophobicContact CD2-CD 4.46Å
139G98.2Very high97.5Very high0 Ų022.1 Ų22.10%013%0.13CC..  trans114.9161.7-172.100000111.1C107 V137 N180C107-G139 VanDerWaalsContact CA-O 3.27Å; C107-G139 WeakPolarHBondContact CA-O 2.88Å; C107-G139 VanDerWaalsContact CB-O 3.32Å; C107-G139 WeakPolarHBondContact CB-O 3.33Å; C107-G139 PolarHBondContact SG-O 3.4Å; C107-G139 VanDerWaalsContact SG-O 3.41Å; V137-G139 VanDerWaalsContact C-N 3.28Å; G139-N180 CarbonylContact C-O 3.55Å; G139-N180 WeakPolarHBondContact CA-O 3.29Å
140F98.5Very high97.5Very high1 Ų125.2 Ų25.20%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-71.5145.7-177.7-73.2-84.2000112.3P108 L110 V121 L122 I125 L142 N180 A182 M183P108-F140 HydrophobicContact CB-CD1 3.87Å; P108-F140 HydrophobicContact CB-CE1 3.93Å; P108-F140 HydrophobicContact CG-CD1 4.45Å; P108-F140 HydrophobicContact CG-CE1 4.46Å; P108-F140 WeakPolarHBondContact O-CA 3.49Å; P108-F140 WeakPolarHBondContact O-CD1 3.32Å; L110-F140 HydrophobicContact CD1-CD1 4.07Å; L110-F140 HydrophobicContact CD1-CE1 4.19Å; L110-F140 HydrophobicContact CD2-CE1 4.38Å; L110-F140 HydrophobicContact CG-CD1 3.94Å; L110-F140 HydrophobicContact CG-CE1 4.22Å; V121-F140 HydrophobicContact CG1-CE1 3.77Å; V121-F140 HydrophobicContact CG1-CZ 3.69Å; L122-F140 HydrophobicContact CD2-CB 3.81Å; L122-F140 HydrophobicContact CD2-CD1 4.12Å; L122-F140 HydrophobicContact CD2-CD2 3.27Å; L122-F140 HydrophobicContact CD2-CE2 3.71Å; L122-F140 HydrophobicContact CD2-CG 3.47Å; L122-F140 VanDerWaalsContact CD2-CG 3.47Å; L122-F140 HydrophobicContact CD2-CZ 4.3Å; I125-F140 HydrophobicContact CB-CE2 3.68Å; I125-F140 HydrophobicContact CB-CZ 3.58Å; I125-F140 HydrophobicContact CG1-CE1 4.4Å; I125-F140 HydrophobicContact CG1-CE2 4.12Å; I125-F140 HydrophobicContact CG1-CZ 3.49Å; I125-F140 VanDerWaalsContact CG1-CZ 3.49Å; I125-F140 HydrophobicContact CG2-CE2 4.47Å; I125-F140 HydrophobicContact CG2-CZ 4.41Å; F140-L142 HydrophobicContact CB-CD2 4.42Å; F140-N180 HydrophobicContact CD2-CB 4.3Å; F140-N180 WeakPolarHBondContact CD2-O 3.41Å; F140-N180 PolarHBondContact N-O 3.41Å; F140-A182 PolarHBondContact O-N 2.87Å; F140-M183 PolarHBondContact O-N 3.23Å; F140-M183 VanDerWaalsContact O-N 3.11Å
141H98.8Very high97.4Very high0 Ų027.2 Ų27.20%015%0.147CC..EExtended strand (participates in β ladder)trans-98.8120.4159.4171.8-153.9000108.6V70 C107 P108 T109 L110 M183 T185V70-H141 PolarHBondContact O-ND1 2.85Å; C107-H141 HydrophobicContact CB-CB 4.09Å; P108-H141 PolarHBondContact O-N 2.8Å; T109-H141 CarbonylContact C-O 3.59Å; T109-H141 VanDerWaalsContact CA-O 3.24Å; T109-H141 WeakPolarHBondContact CA-O 3.47Å; T109-H141 HydrophobicContact CG2-CB 4.22Å; T109-H141 WeakPolarHBondContact CG2-ND1 3.44Å; T109-H141 PolarHBondContact OG1-ND1 3.31Å; L110-H141 PolarHBondContact N-O 2.89Å; H141-M183 CarbonylContact C-O 3.54Å; H141-M183 WeakPolarHBondContact CA-O 3.31Å; H141-M183 HydrophobicContact CB-CB 4.34Å; H141-M183 HydrophobicContact CB-CE 4Å; H141-M183 VanDerWaalsContact CG-CE 3.42Å; H141-T185 PolarHBondContact NE2-OG1 2.9Å
142L98.7Very high97.2Very high0 Ų030.2 Ų30.20%015%0.153CC..EExtended strand (participates in β ladder)trans-98.7106.5176.6-60.3-179.5000110L110 Y118 L122 F140 G144 Y175 V181 M183 V184 T185L110-L142 HydrophobicContact CB-CD2 3.93Å; L110-L142 HydrophobicContact CD1-CD2 3.99Å; L110-L142 HydrophobicContact CG-CD2 4.28Å; Y118-L142 HydrophobicContact CD1-CD2 3.93Å; Y118-L142 HydrophobicContact CE1-CD2 3.97Å; L122-L142 HydrophobicContact CD1-CD1 4.32Å; L122-L142 HydrophobicContact CD2-CD2 4.08Å; F140-L142 HydrophobicContact CB-CD2 4.42Å; L142-G144 PolarHBondContact O-N 3.12Å; L142-Y175 HydrophobicContact CB-CE1 4.25Å; L142-Y175 HydrophobicContact CD1-CD1 3.65Å; L142-Y175 HydrophobicContact CD1-CD2 3.8Å; L142-Y175 HydrophobicContact CD1-CE1 3.82Å; L142-Y175 HydrophobicContact CD1-CE2 3.97Å; L142-Y175 HydrophobicContact CD1-CG 3.63Å; L142-Y175 HydrophobicContact CG-CE1 4.49Å; L142-V181 HydrophobicContact CD1-CG1 3.86Å; L142-V181 HydrophobicContact CD1-CG2 3.81Å; L142-V181 HydrophobicContact CG-CG1 4.01Å; L142-V181 HydrophobicContact CG-CG2 4.35Å; L142-M183 PolarHBondContact N-O 3.02Å; L142-V184 HydrophobicContact CB-CG2 4.17Å; L142-V184 HydrophobicContact CD1-CG2 4.26Å; L142-V184 CarbonylContact O-C 3.51Å; L142-V184 WeakPolarHBondContact O-CA 3.34Å; L142-T185 PolarHBondContact O-N 3Å
143E98.5Very high97Very high3 Ų328.8 Ų28.81%0.01415%0.151CC..EExtended strand (participates in β ladder)trans-9589.5-180-163.1174.617800111.7Q71 T109 L110 V111 T112 H155 T185 H211 H232Q71-E143 PolarHBondContact NE2-OE2 2.81Å; T109-E143 HydrophobicContact CG2-CB 4.01Å; L110-E143 PolarHBondContact O-N 2.57Å; V111-E143 CarbonylContact C-O 3.5Å; T112-E143 PolarHBondContact N-O 3.22Å; T112-E143 PolarHBondContact OG1-O 2.93Å; E143-H155 PolarHBondContact O-CE1 3.23Å; E143-H155 PolarHBondContact O-ND1 3.19Å; E143-H155 IonicContact OE1-NE2 3.64Å; E143-T185 HydrophobicContact CG-CG2 4.22Å; E143-H211 IonicContact OE1-CD2 3.42Å; E143-H211 PolarHBondContact OE1-CD2 2.87Å; E143-H211 VanDerWaalsContact OE1-CD2 3.32Å; E143-H211 IonicContact OE1-NE2 3.38Å; E143-H211 PolarHBondContact OE1-NE2 3.19Å; E143-H232 IonicContact OE1-CD2 3.8Å; E143-H232 IonicContact OE1-CE1 2.72Å; E143-H232 IonicContact OE1-NE2 3.55Å; E143-H232 PolarHBondContact OE1-NE2 2.82Å
144G97.1Very high96.6Very high0 Ų021.6 Ų21.60%012%0.119CC..  trans78-179.3-167.200000113Y118 L142 Y175 T185Y118-G144 PolarHBondContact OH-O 3.49Å; L142-G144 PolarHBondContact O-N 3.12Å; G144-Y175 PolarHBondContact O-OH 2.58Å; G144-T185 PolarHBondContact N-O 3.48Å
145P97.4Very high96.3Very high0 Ų021.8 Ų21.80%012%0.118CC..SBendcis-93.44.925.436.2-37.2000116.2T112 Y118 I147 F159 R161 T174 Y175T112-P145 HydrophobicContact CG2-CB 3.55Å; T112-P145 WeakPolarHBondContact OG1-CA 3.18Å; Y118-P145 HydrophobicContact CE2-CG 4.4Å; P145-I147 PolarHBondContact O-N 3.07Å; P145-F159 VanDerWaalsContact CB-O 3.24Å; P145-F159 WeakPolarHBondContact CB-O 3.28Å; P145-R161 HydrophobicContact CB-CB 4.45Å; P145-R161 HydrophobicContact CB-CG 4.32Å; P145-R161 HydrophobicContact CG-CB 4.15Å; P145-R161 HydrophobicContact CG-CG 3.96Å; P145-R161 PolarHBondContact O-N 3.34Å; P145-T174 HydrophobicContact CG-CG2 3.58Å; P145-Y175 VanDerWaalsContact CD-CE1 3.45Å; P145-Y175 VanDerWaalsContact CD-OH 3.29Å; P145-Y175 WeakPolarHBondContact CD-OH 3.48Å
146F98Very high96Very high0 Ų022 Ų220%012%0.12CC..SBendtrans-82.661.8179.2-55.7-74.2000112.2R161 F163 D170 L171 T174 Y175 L186 A187 L190F146-R161 HydrophobicContact CD1-CB 3.92Å; F146-R161 HydrophobicContact CE1-CB 3.7Å; F146-R161 HydrophobicContact CZ-CB 4.43Å; F146-F163 HydrophobicContact CB-CE1 4Å; F146-F163 HydrophobicContact CB-CE2 4.03Å; F146-F163 HydrophobicContact CB-CZ 3.46Å; F146-F163 VanDerWaalsContact CB-CZ 3.46Å; F146-F163 AromaticContact CD1-CD1 3.68Å; F146-F163 HydrophobicContact CD1-CD1 3.68Å; F146-F163 AromaticContact CD1-CE1 3.29Å; F146-F163 HydrophobicContact CD1-CE1 3.29Å; F146-F163 HydrophobicContact CD1-CE2 4.32Å; F146-F163 HydrophobicContact CD1-CG 4.35Å; F146-F163 AromaticContact CD1-CZ 3.66Å; F146-F163 HydrophobicContact CD1-CZ 3.66Å; F146-F163 AromaticContact CD2-CE1 3.75Å; F146-F163 HydrophobicContact CD2-CE1 3.75Å; F146-F163 AromaticContact CD2-CZ 3.97Å; F146-F163 HydrophobicContact CD2-CZ 3.97Å; F146-F163 AromaticContact CE1-CD1 3.67Å; F146-F163 HydrophobicContact CE1-CD1 3.67Å; F146-F163 AromaticContact CE1-CE1 3.52Å; F146-F163 HydrophobicContact CE1-CE1 3.52Å; F146-F163 HydrophobicContact CE1-CZ 4.34Å; F146-F163 AromaticContact CE2-CE1 3.96Å; F146-F163 HydrophobicContact CE2-CE1 3.96Å; F146-F163 HydrophobicContact CG-CD1 4.25Å; F146-F163 AromaticContact CG-CE1 3.39Å; F146-F163 HydrophobicContact CG-CE1 3.39Å; F146-F163 HydrophobicContact CG-CE2 4.29Å; F146-F163 AromaticContact CG-CZ 3.42Å; F146-F163 HydrophobicContact CG-CZ 3.42Å; F146-F163 VanDerWaalsContact CG-CZ 3.42Å; F146-F163 HydrophobicContact CZ-CD1 4.24Å; F146-F163 AromaticContact CZ-CE1 3.83Å; F146-F163 HydrophobicContact CZ-CE1 3.83Å; F146-D170 HydrophobicContact CE1-CB 4.27Å; F146-D170 HydrophobicContact CZ-CB 4.39Å; F146-L171 HydrophobicContact CE2-CB 4.37Å; F146-L171 HydrophobicContact CE2-CG 4.36Å; F146-T174 HydrophobicContact CE2-CG2 4.21Å; F146-T174 HydrophobicContact CZ-CG2 4.28Å; F146-T174 WeakPolarHBondContact CZ-OG1 3.26Å; F146-Y175 HydrophobicContact CD2-CE2 4.13Å; F146-Y175 AromaticContact CD2-CZ 3.99Å; F146-Y175 WeakPolarHBondContact CD2-OH 3.45Å; F146-Y175 AromaticContact CE2-CE2 3.79Å; F146-Y175 HydrophobicContact CE2-CE2 3.79Å; F146-Y175 AromaticContact CE2-CZ 3.87Å; F146-L186 HydrophobicContact CB-CB 4.27Å; F146-L186 CarbonylContact O-C 3.49Å; F146-L186 VanDerWaalsContact O-CA 3.25Å; F146-L186 WeakPolarHBondContact O-CA 3.35Å; F146-L186 WeakPolarHBondContact O-CB 3.08Å; F146-A187 PolarHBondContact O-N 3.05Å; F146-L190 VanDerWaalsContact C-CD1 3.42Å; F146-L190 HydrophobicContact CB-CD1 4.11Å; F146-L190 WeakPolarHBondContact O-CD1 3.3Å
147I98.1Very high95.7Very high4 Ų427.5 Ų27.52%0.02115%0.146CC..SBendtrans-126.9164.6-177.260174.3000111.2P145 H155 L160 H211P145-I147 PolarHBondContact O-N 3.07Å; I147-H155 HydrophobicContact CD1-CB 3.7Å; I147-H155 VanDerWaalsContact CD1-CG 3.46Å; I147-H155 WeakPolarHBondContact CD1-ND1 3.5Å; I147-L160 HydrophobicContact CD1-CD2 3.8Å; I147-L160 HydrophobicContact CG1-CD2 3.41Å; I147-L160 VanDerWaalsContact CG1-CD2 3.41Å; I147-H211 HydrophobicContact CB-CB 3.54Å; I147-H211 HydrophobicContact CD1-CB 3.81Å; I147-H211 HydrophobicContact CG1-CB 4.19Å; I147-H211 HydrophobicContact CG2-CB 3.68Å
148S97.7Very high95.5Very high7 Ų735.6 Ų35.65%0.04918%0.176CC..  trans-67.6134.1-180-173.70000112E150 K151 R152 E189 H211S148-E150 VanDerWaalsContact C-N 3.27Å; S148-E150 PolarHBondContact O-N 3.33Å; S148-E150 PolarHBondContact OG-N 3.2Å; S148-K151 CarbonylContact O-C 3.56Å; S148-K151 PolarHBondContact O-N 3.01Å; S148-R152 WeakPolarHBondContact O-CA 3.34Å; S148-R152 PolarHBondContact O-N 2.81Å; S148-E189 VanDerWaalsContact CB-OE1 3.28Å; S148-E189 WeakPolarHBondContact CB-OE1 3.18Å; S148-H211 WeakPolarHBondContact CA-O 3.44Å; S148-H211 WeakPolarHBondContact CB-O 3.5Å; S148-H211 PolarHBondContact N-O 3.38Å
149S96.2Very high95.4Very high69 Ų6936.5 Ų36.548%0.48318%0.179SC..SBendtrans-63.2-34.7171.454.20000112.3K151 R152S149-K151 VanDerWaalsContact C-N 3.3Å; S149-K151 PolarHBondContact O-N 3.23Å; S149-R152 WeakPolarHBondContact O-CG 3.27Å
150E96Very high95.3Very high153 Ų15338.2 Ų38.272%0.71519%0.188SC*.THydrogen-bonded Turntrans-70.5-27.3179.3-65.8-175.4-128.500112.8S148 V213S148-E150 VanDerWaalsContact C-N 3.27Å; S148-E150 PolarHBondContact O-N 3.33Å; S148-E150 PolarHBondContact OG-N 3.2Å; E150-V213 HydrophobicContact CB-CG1 3.78Å
151K95.4Very high95.1Very high54 Ų5441 Ų4124%0.23520%0.199CC..THydrogen-bonded Turntrans-118.729.9-179.5-65-69.3179.51710112.5S148 S149 G153 H211 V213 A236 M237S148-K151 CarbonylContact O-C 3.56Å; S148-K151 PolarHBondContact O-N 3.01Å; S149-K151 VanDerWaalsContact C-N 3.3Å; S149-K151 PolarHBondContact O-N 3.23Å; K151-G153 PolarHBondContact O-N 2.95Å; K151-H211 WeakPolarHBondContact O-CB 3.32Å; K151-H211 PolarHBondContact O-ND1 2.87Å; K151-V213 HydrophobicContact CG-CG1 3.5Å; K151-A236 WeakPolarHBondContact CB-O 3.32Å; K151-A236 WeakPolarHBondContact O-CB 3.38Å; K151-M237 VanDerWaalsContact CE-O 3.27Å; K151-M237 WeakPolarHBondContact CE-O 3.42Å; K151-M237 PolarHBondContact NZ-O 3.49Å
152R92.2Very high94.9Very high78 Ų7843.3 Ų43.329%0.29421%0.213SC..  trans-64.8-23-179.569.8-175.6179.984.6-6.2114.6S148 S149 A154 H155 E157 L160 H211S148-R152 WeakPolarHBondContact O-CA 3.34Å; S148-R152 PolarHBondContact O-N 2.81Å; S149-R152 WeakPolarHBondContact O-CG 3.27Å; R152-A154 PolarHBondContact O-N 3.4Å; R152-H155 HydrophobicContact CB-CB 4.29Å; R152-H155 PolarHBondContact NH1-O 3Å; R152-H155 WeakPolarHBondContact O-CB 3.48Å; R152-H155 PolarHBondContact O-CD2 3.25Å; R152-H155 PolarHBondContact O-N 2.81Å; R152-E157 IonicContact CZ-OE2 2.79Å; R152-E157 IonicContact NE-OE2 3.06Å; R152-E157 PolarHBondContact NE-OE2 3.46Å; R152-E157 IonicContact NH2-OE2 3.26Å; R152-E157 PolarHBondContact NH2-OE2 2.83Å; R152-L160 HydrophobicContact CB-CD1 4.09Å; R152-H211 PolarHBondContact O-ND1 3.14Å
153G89.1Confident94.6Very high35 Ų3543.5 Ų43.536%0.36121%0.213SC..THydrogen-bonded Turntrans55.7-123.2-176.300000111.5K151 H155K151-G153 PolarHBondContact O-N 2.95Å; G153-H155 VanDerWaalsContact C-N 3.26Å; G153-H155 PolarHBondContact O-N 2.84Å
154A86.4Confident93.9Very high13 Ų1353 Ų5311%0.10725%0.249CC..THydrogen-bonded Turntrans-76.4-6.8176.200000114.2R152 L308 Q311 V322 S329R152-A154 PolarHBondContact O-N 3.4Å; A154-L308 HydrophobicContact CB-CD2 4.43Å; A154-Q311 VanDerWaalsContact O-CG 3.23Å; A154-Q311 WeakPolarHBondContact O-CG 3.36Å; A154-V322 HydrophobicContact CB-CG2 3.88Å; A154-S329 WeakPolarHBondContact CB-OG 3.38Å
155H92.9Very high92.4Very high9 Ų957 Ų574%0.04228%0.277CS..SBendtrans-71.9134.4-173.5-65.7-118.1000111.5T112 E143 I147 R152 G153 E157 L160 H211T112-H155 VanDerWaalsContact CB-ND1 3.28Å; T112-H155 WeakPolarHBondContact CB-ND1 3.43Å; T112-H155 HydrophobicContact CG2-CB 4.48Å; T112-H155 PolarHBondContact N-ND1 3Å; T112-H155 PolarHBondContact OG1-ND1 2.75Å; E143-H155 PolarHBondContact O-CE1 3.23Å; E143-H155 PolarHBondContact O-ND1 3.19Å; E143-H155 IonicContact OE1-NE2 3.64Å; I147-H155 HydrophobicContact CD1-CB 3.7Å; I147-H155 VanDerWaalsContact CD1-CG 3.46Å; I147-H155 WeakPolarHBondContact CD1-ND1 3.5Å; R152-H155 HydrophobicContact CB-CB 4.29Å; R152-H155 PolarHBondContact NH1-O 3Å; R152-H155 WeakPolarHBondContact O-CB 3.48Å; R152-H155 PolarHBondContact O-CD2 3.25Å; R152-H155 PolarHBondContact O-N 2.81Å; G153-H155 VanDerWaalsContact C-N 3.26Å; G153-H155 PolarHBondContact O-N 2.84Å; H155-E157 PolarHBondContact O-N 3.29Å; H155-L160 HydrophobicContact CB-CD2 4.45Å; H155-H211 AromaticContact CD2-CE1 3.43Å; H155-H211 PolarHBondContact CD2-CE1 2.76Å; H155-H211 VanDerWaalsContact CD2-CE1 3.43Å; H155-H211 AromaticContact CD2-ND1 3.87Å; H155-H211 AromaticContact CD2-NE2 3.98Å; H155-H211 AromaticContact NE2-CE1 3.49Å; H155-H211 PolarHBondContact NE2-CE1 2.85Å; H155-H211 AromaticContact NE2-NE2 3.55Å
156P90.7Very high91.3Very high5 Ų558.8 Ų58.83%0.03230%0.295CS..  trans-68.1113.9-179.125.1-33000111.5T112 R158 F159T112-P156 HydrophobicContact CG2-CG 4.27Å; T112-P156 WeakPolarHBondContact O-CD 3.46Å; T112-P156 VanDerWaalsContact O-CG 3.27Å; T112-P156 WeakPolarHBondContact O-CG 3.24Å; P156-R158 VanDerWaalsContact C-N 3.25Å; P156-R158 PolarHBondContact O-N 2.8Å; P156-R158 VanDerWaalsContact O-N 3.13Å; P156-F159 HydrophobicContact CB-CD2 3.82Å; P156-F159 HydrophobicContact CB-CE2 4.36Å; P156-F159 HydrophobicContact CG-CB 4.27Å; P156-F159 HydrophobicContact CG-CD2 3.48Å; P156-F159 VanDerWaalsContact CG-CD2 3.48Å; P156-F159 HydrophobicContact CG-CE2 4.26Å; P156-F159 HydrophobicContact CG-CG 4.3Å; P156-F159 PolarHBondContact O-N 2.66Å
157E92.5Very high90.6Very high116 Ų11658.8 Ų58.854%0.54230%0.295SS..G310 helixtrans-52.1-40.4-176.5-169.8169.417300113.9R152 H155 F159 L160R152-E157 IonicContact CZ-OE2 2.79Å; R152-E157 IonicContact NE-OE2 3.06Å; R152-E157 PolarHBondContact NE-OE2 3.46Å; R152-E157 IonicContact NH2-OE2 3.26Å; R152-E157 PolarHBondContact NH2-OE2 2.83Å; H155-E157 PolarHBondContact O-N 3.29Å; E157-F159 PolarHBondContact O-N 2.93Å; E157-F159 VanDerWaalsContact O-N 3.12Å; E157-L160 HydrophobicContact CG-CD1 4.4Å; E157-L160 WeakPolarHBondContact O-CB 3.41Å; E157-L160 WeakPolarHBondContact O-CG 3.39Å; E157-L160 PolarHBondContact O-N 2.86Å; E157-L160 VanDerWaalsContact O-N 3.13Å
158R94.6Very high90Very high171 Ų17160.4 Ų60.465%0.64531%0.305SS*.G310 helixtrans-62.6-17.2179.764.3174.3-177.9-103-2.5114.9P156P156-R158 VanDerWaalsContact C-N 3.25Å; P156-R158 PolarHBondContact O-N 2.8Å; P156-R158 VanDerWaalsContact O-N 3.13Å
159F95.8Very high89.7Confident49 Ų4965.4 Ų65.422%0.21533%0.331CS..G310 helixtrans-107-2179.9-58.1-37.6000112.8T112 P114 P145 P156 E157 Q310T112-F159 HydrophobicContact CG2-CB 3.84Å; P114-F159 HydrophobicContact CB-CE1 4.47Å; P114-F159 HydrophobicContact CG-CD1 4.04Å; P114-F159 HydrophobicContact CG-CD2 4.08Å; P114-F159 HydrophobicContact CG-CE1 3.7Å; P114-F159 HydrophobicContact CG-CE2 3.76Å; P114-F159 HydrophobicContact CG-CG 4.25Å; P114-F159 HydrophobicContact CG-CZ 3.54Å; P145-F159 VanDerWaalsContact CB-O 3.24Å; P145-F159 WeakPolarHBondContact CB-O 3.28Å; P156-F159 HydrophobicContact CB-CD2 3.82Å; P156-F159 HydrophobicContact CB-CE2 4.36Å; P156-F159 HydrophobicContact CG-CB 4.27Å; P156-F159 HydrophobicContact CG-CD2 3.48Å; P156-F159 VanDerWaalsContact CG-CD2 3.48Å; P156-F159 HydrophobicContact CG-CE2 4.26Å; P156-F159 HydrophobicContact CG-CG 4.3Å; P156-F159 PolarHBondContact O-N 2.66Å; E157-F159 PolarHBondContact O-N 2.93Å; E157-F159 VanDerWaalsContact O-N 3.12Å; F159-Q310 HydrophobicContact CE2-CB 4.1Å; F159-Q310 HydrophobicContact CE2-CG 3.86Å
160L96.7Very high89.6Confident36 Ų3662.3 Ų62.319%0.18831%0.309CS..  trans-60.8138.8172.6-62.8-179000110.3T112 I147 R152 H155 E157T112-L160 HydrophobicContact CG2-CD2 3.87Å; I147-L160 HydrophobicContact CD1-CD2 3.8Å; I147-L160 HydrophobicContact CG1-CD2 3.41Å; I147-L160 VanDerWaalsContact CG1-CD2 3.41Å; R152-L160 HydrophobicContact CB-CD1 4.09Å; H155-L160 HydrophobicContact CB-CD2 4.45Å; E157-L160 HydrophobicContact CG-CD1 4.4Å; E157-L160 WeakPolarHBondContact O-CB 3.41Å; E157-L160 WeakPolarHBondContact O-CG 3.39Å; E157-L160 PolarHBondContact O-N 2.86Å; E157-L160 VanDerWaalsContact O-N 3.13Å
161R95.5Very high89.5Confident60 Ų6055.2 Ų55.223%0.22628%0.277CS..  trans-123.3160.4177-61.4-170.7107.3-125.43110P145 F146 D170 E173 T174P145-R161 HydrophobicContact CB-CB 4.45Å; P145-R161 HydrophobicContact CB-CG 4.32Å; P145-R161 HydrophobicContact CG-CB 4.15Å; P145-R161 HydrophobicContact CG-CG 3.96Å; P145-R161 PolarHBondContact O-N 3.34Å; F146-R161 HydrophobicContact CD1-CB 3.92Å; F146-R161 HydrophobicContact CE1-CB 3.7Å; F146-R161 HydrophobicContact CZ-CB 4.43Å; R161-D170 PolarHBondContact NH1-O 3.38Å; R161-E173 IonicContact CZ-OE2 2.66Å; R161-E173 IonicContact NH1-OE2 3.65Å; R161-E173 PolarHBondContact NH1-OE2 2.93Å; R161-E173 IonicContact NH2-OE1 2.78Å; R161-E173 PolarHBondContact NH2-OE1 2.96Å; R161-E173 IonicContact NH2-OE2 3Å; R161-E173 PolarHBondContact NH2-OE2 3.49Å; R161-T174 VanDerWaalsContact CD-OG1 3.31Å; R161-T174 WeakPolarHBondContact CD-OG1 3.32Å; R161-T174 PolarHBondContact NH1-OG1 3.24Å
162T94.6Very high89.4Confident48 Ų4855.8 Ų55.829%0.29428%0.281SS..  trans-128.6163.2170.2-1710000108.3R164T162-R164 HydrophobicContact CG2-CG 3.84Å; T162-R164 PolarHBondContact O-N 3.37Å
163F92.4Very high89.5Confident4 Ų457.5 Ų57.52%0.01829%0.292CS..  trans-80.9104.9175.2-55.8-59.1000110F146 D170 L186 L190 P191 H192 V196F146-F163 HydrophobicContact CB-CE1 4Å; F146-F163 HydrophobicContact CB-CE2 4.03Å; F146-F163 HydrophobicContact CB-CZ 3.46Å; F146-F163 VanDerWaalsContact CB-CZ 3.46Å; F146-F163 AromaticContact CD1-CD1 3.68Å; F146-F163 HydrophobicContact CD1-CD1 3.68Å; F146-F163 AromaticContact CD1-CE1 3.29Å; F146-F163 HydrophobicContact CD1-CE1 3.29Å; F146-F163 HydrophobicContact CD1-CE2 4.32Å; F146-F163 HydrophobicContact CD1-CG 4.35Å; F146-F163 AromaticContact CD1-CZ 3.66Å; F146-F163 HydrophobicContact CD1-CZ 3.66Å; F146-F163 AromaticContact CD2-CE1 3.75Å; F146-F163 HydrophobicContact CD2-CE1 3.75Å; F146-F163 AromaticContact CD2-CZ 3.97Å; F146-F163 HydrophobicContact CD2-CZ 3.97Å; F146-F163 AromaticContact CE1-CD1 3.67Å; F146-F163 HydrophobicContact CE1-CD1 3.67Å; F146-F163 AromaticContact CE1-CE1 3.52Å; F146-F163 HydrophobicContact CE1-CE1 3.52Å; F146-F163 HydrophobicContact CE1-CZ 4.34Å; F146-F163 AromaticContact CE2-CE1 3.96Å; F146-F163 HydrophobicContact CE2-CE1 3.96Å; F146-F163 HydrophobicContact CG-CD1 4.25Å; F146-F163 AromaticContact CG-CE1 3.39Å; F146-F163 HydrophobicContact CG-CE1 3.39Å; F146-F163 HydrophobicContact CG-CE2 4.29Å; F146-F163 AromaticContact CG-CZ 3.42Å; F146-F163 HydrophobicContact CG-CZ 3.42Å; F146-F163 VanDerWaalsContact CG-CZ 3.42Å; F146-F163 HydrophobicContact CZ-CD1 4.24Å; F146-F163 AromaticContact CZ-CE1 3.83Å; F146-F163 HydrophobicContact CZ-CE1 3.83Å; F163-D170 WeakPolarHBondContact CA-OD2 3.41Å; F163-D170 HydrophobicContact CD1-CB 4.17Å; F163-L186 HydrophobicContact CZ-CD2 4.43Å; F163-L190 HydrophobicContact CD2-CB 4.12Å; F163-L190 HydrophobicContact CE2-CB 4.24Å; F163-L190 HydrophobicContact CE2-CD1 4.35Å; F163-P191 WeakPolarHBondContact CB-O 3.43Å; F163-P191 WeakPolarHBondContact CD2-O 3.36Å; F163-H192 HydrophobicContact CB-CB 4.22Å; F163-V196 HydrophobicContact CD1-CG2 3.81Å; F163-V196 HydrophobicContact CD2-CG2 4.38Å; F163-V196 HydrophobicContact CE1-CB 4.34Å; F163-V196 HydrophobicContact CE1-CG1 4.01Å; F163-V196 HydrophobicContact CE1-CG2 3.7Å; F163-V196 HydrophobicContact CE2-CG2 4.29Å; F163-V196 HydrophobicContact CG-CG2 4.15Å; F163-V196 HydrophobicContact CZ-CB 4.2Å; F163-V196 HydrophobicContact CZ-CG1 3.9Å; F163-V196 HydrophobicContact CZ-CG2 3.95Å
164R83.7Confident89.8Confident203 Ų20355.8 Ų55.877%0.76628%0.275SS*.  trans-95.8-30.6-172.1-64.9-179.5178.1179.50.7113.8T162 D170T162-R164 HydrophobicContact CG2-CG 3.84Å; T162-R164 PolarHBondContact O-N 3.37Å; R164-D170 PolarHBondContact N-OD1 3.06Å; R164-D170 VanDerWaalsContact N-OD1 3.07Å; R164-D170 PolarHBondContact N-OD2 3.44Å
165S65.4Low90.3Very high84 Ų8455.2 Ų55.259%0.58727%0.27SS*.SBendtrans-141.428.2-162.536.40000114.4D170S165-D170 PolarHBondContact N-OD2 2.96Å; S165-D170 PolarHBondContact OG-OD1 2.95Å
166G72.6Confident90.4Very high37 Ų3755.4 Ų55.438%0.38127%0.274SS..SBendtrans133.9-4.2175.600000114.4T168G166-T168 PolarHBondContact O-N 3.33Å
167G84.9Confident90.5Very high0 Ų058.2 Ų58.20%029%0.294CS..SBendtrans79-59.4177.400000113D170 L171G167-D170 PolarHBondContact N-OD2 3.38Å; G167-D170 PolarHBondContact O-N 3.35Å; G167-L171 WeakPolarHBondContact O-CB 3.5Å; G167-L171 PolarHBondContact O-N 3.18Å
168T85.4Confident90.7Very high38 Ų3853.2 Ų53.223%0.23327%0.271CS..Hα-helixtrans-66.2-42.1-179.3-58.10000111.9G166 L171 M172 T199G166-T168 PolarHBondContact O-N 3.33Å; T168-L171 WeakPolarHBondContact O-CB 3.24Å; T168-L171 PolarHBondContact O-N 2.87Å; T168-M172 HydrophobicContact CG2-CG 4.38Å; T168-M172 WeakPolarHBondContact O-CG 3.22Å; T168-M172 PolarHBondContact O-N 3.16Å; T168-T199 HydrophobicContact CG2-CG2 3.83Å; T168-T199 PolarHBondContact OG1-OG1 3.44Å
169D90.6Very high90.7Very high111 Ų11151.5 Ų51.559%0.59428%0.275SS*.Hα-helixtrans-64-43.2178-68.1-13.5000111.3L171 M172 E173D169-L171 VanDerWaalsContact C-N 3.26Å; D169-L171 PolarHBondContact O-N 3.02Å; D169-M172 PolarHBondContact O-N 2.97Å; D169-E173 VanDerWaalsContact O-CB 3.3Å; D169-E173 WeakPolarHBondContact O-CB 3.44Å; D169-E173 PolarHBondContact O-N 2.91Å
170D93.6Very high90.7Very high4 Ų450.6 Ų50.62%0.02127%0.272CS..Hα-helixtrans-60.4-39.3175.1-59.4-82.3000111.1F146 R161 F163 R164 S165 G167 T174F146-D170 HydrophobicContact CE1-CB 4.27Å; F146-D170 HydrophobicContact CZ-CB 4.39Å; R161-D170 PolarHBondContact NH1-O 3.38Å; F163-D170 WeakPolarHBondContact CA-OD2 3.41Å; F163-D170 HydrophobicContact CD1-CB 4.17Å; R164-D170 PolarHBondContact N-OD1 3.06Å; R164-D170 VanDerWaalsContact N-OD1 3.07Å; R164-D170 PolarHBondContact N-OD2 3.44Å; S165-D170 PolarHBondContact N-OD2 2.96Å; S165-D170 PolarHBondContact OG-OD1 2.95Å; G167-D170 PolarHBondContact N-OD2 3.38Å; G167-D170 PolarHBondContact O-N 3.35Å; D170-T174 WeakPolarHBondContact O-CB 3.42Å; D170-T174 PolarHBondContact O-N 3.18Å; D170-T174 PolarHBondContact O-OG1 3.01Å
171L94.2Very high90.8Very high5 Ų549.4 Ų49.43%0.02627%0.266CS..Hα-helixtrans-66.4-47.4178.7-171.7141.7000111.7F146 G167 T168 D169 T174 Y175 L178 V196 L200F146-L171 HydrophobicContact CE2-CB 4.37Å; F146-L171 HydrophobicContact CE2-CG 4.36Å; G167-L171 WeakPolarHBondContact O-CB 3.5Å; G167-L171 PolarHBondContact O-N 3.18Å; T168-L171 WeakPolarHBondContact O-CB 3.24Å; T168-L171 PolarHBondContact O-N 2.87Å; D169-L171 VanDerWaalsContact C-N 3.26Å; D169-L171 PolarHBondContact O-N 3.02Å; L171-T174 PolarHBondContact O-N 3Å; L171-Y175 HydrophobicContact CD1-CD2 4.33Å; L171-Y175 HydrophobicContact CD1-CE2 4.03Å; L171-Y175 HydrophobicContact CD2-CD2 3.87Å; L171-Y175 HydrophobicContact CD2-CE2 4.39Å; L171-Y175 HydrophobicContact CG-CD2 3.66Å; L171-Y175 HydrophobicContact CG-CE2 3.79Å; L171-Y175 PolarHBondContact O-N 3.06Å; L171-L178 HydrophobicContact CD2-CD1 3.46Å; L171-L178 VanDerWaalsContact CD2-CD1 3.46Å; L171-L178 HydrophobicContact CD2-CD2 3.99Å; L171-L178 HydrophobicContact CD2-CG 4.19Å; L171-V196 HydrophobicContact CD1-CG1 3.44Å; L171-V196 VanDerWaalsContact CD1-CG1 3.44Å; L171-L200 HydrophobicContact CD1-CD1 3.92Å; L171-L200 HydrophobicContact CD1-CD2 3.92Å; L171-L200 HydrophobicContact CD1-CG 4.1Å; L171-L200 HydrophobicContact CD2-CD2 4.19Å
172M92.9Very high90.9Very high66 Ų6647.1 Ų47.133%0.32526%0.26SS..Hα-helixtrans-68-36.3178.2-64.6-57-61.900112.2T168 D169 T174 G176 L178T168-M172 HydrophobicContact CG2-CG 4.38Å; T168-M172 WeakPolarHBondContact O-CG 3.22Å; T168-M172 PolarHBondContact O-N 3.16Å; D169-M172 PolarHBondContact O-N 2.97Å; M172-T174 VanDerWaalsContact C-N 3.28Å; M172-T174 PolarHBondContact O-N 2.78Å; M172-G176 WeakPolarHBondContact CE-O 3.28Å; M172-G176 VanDerWaalsContact O-CA 3.22Å; M172-G176 WeakPolarHBondContact O-CA 3.44Å; M172-G176 PolarHBondContact O-N 3.32Å; M172-L178 HydrophobicContact SD-CD1 4.15Å; M172-L178 HydrophobicContact SD-CG 4.22Å
173E94.4Very high91.1Very high113 Ų11344.9 Ų44.953%0.52825%0.246SC..Hα-helixtrans-61.4-39.4172.5-172.6-157.2-179.900111.2H119 R161 D169H119-E173 PolarHBondContact NE2-O 3.38Å; R161-E173 IonicContact CZ-OE2 2.66Å; R161-E173 IonicContact NH1-OE2 3.65Å; R161-E173 PolarHBondContact NH1-OE2 2.93Å; R161-E173 IonicContact NH2-OE1 2.78Å; R161-E173 PolarHBondContact NH2-OE1 2.96Å; R161-E173 IonicContact NH2-OE2 3Å; R161-E173 PolarHBondContact NH2-OE2 3.49Å; D169-E173 VanDerWaalsContact O-CB 3.3Å; D169-E173 WeakPolarHBondContact O-CB 3.44Å; D169-E173 PolarHBondContact O-N 2.91Å
174T95.9Very high91.4Very high0 Ų044.7 Ų44.70%025%0.245CC..Hα-helixtrans-73.8-52.1-176.8-55.10000112.3Y118 P145 F146 R161 D170 L171 M172Y118-T174 HydrophobicContact CD2-CG2 4.16Å; Y118-T174 HydrophobicContact CE2-CG2 4.14Å; P145-T174 HydrophobicContact CG-CG2 3.58Å; F146-T174 HydrophobicContact CE2-CG2 4.21Å; F146-T174 HydrophobicContact CZ-CG2 4.28Å; F146-T174 WeakPolarHBondContact CZ-OG1 3.26Å; R161-T174 VanDerWaalsContact CD-OG1 3.31Å; R161-T174 WeakPolarHBondContact CD-OG1 3.32Å; R161-T174 PolarHBondContact NH1-OG1 3.24Å; D170-T174 WeakPolarHBondContact O-CB 3.42Å; D170-T174 PolarHBondContact O-N 3.18Å; D170-T174 PolarHBondContact O-OG1 3.01Å; L171-T174 PolarHBondContact O-N 3Å; M172-T174 VanDerWaalsContact C-N 3.28Å; M172-T174 PolarHBondContact O-N 2.78Å
175Y96.4Very high92.1Very high1 Ų135 Ų350%0.00421%0.209CC..Hα-helixtrans-97.5-23.7-170.9-57.2-47000113.3Y118 L122 L142 G144 P145 F146 L171 L178 V184Y118-Y175 AromaticContact CD1-CD1 3.96Å; Y118-Y175 HydrophobicContact CD1-CD1 3.96Å; Y118-Y175 HydrophobicContact CD1-CE1 4.3Å; Y118-Y175 AromaticContact CD2-CD1 3.82Å; Y118-Y175 HydrophobicContact CD2-CD1 3.82Å; Y118-Y175 HydrophobicContact CD2-CE1 4.21Å; Y118-Y175 HydrophobicContact CE1-CD1 4.21Å; Y118-Y175 HydrophobicContact CE1-CE1 4.07Å; Y118-Y175 HydrophobicContact CE2-CD1 4.08Å; Y118-Y175 AromaticContact CE2-CE1 3.98Å; Y118-Y175 HydrophobicContact CE2-CE1 3.98Å; Y118-Y175 AromaticContact CG-CD1 3.77Å; Y118-Y175 HydrophobicContact CG-CD1 3.77Å; Y118-Y175 HydrophobicContact CG-CE1 4.38Å; Y118-Y175 AromaticContact CZ-CE1 3.91Å; L122-Y175 WeakPolarHBondContact CD1-O 3.31Å; L142-Y175 HydrophobicContact CB-CE1 4.25Å; L142-Y175 HydrophobicContact CD1-CD1 3.65Å; L142-Y175 HydrophobicContact CD1-CD2 3.8Å; L142-Y175 HydrophobicContact CD1-CE1 3.82Å; L142-Y175 HydrophobicContact CD1-CE2 3.97Å; L142-Y175 HydrophobicContact CD1-CG 3.63Å; L142-Y175 HydrophobicContact CG-CE1 4.49Å; G144-Y175 PolarHBondContact O-OH 2.58Å; P145-Y175 VanDerWaalsContact CD-CE1 3.45Å; P145-Y175 VanDerWaalsContact CD-OH 3.29Å; P145-Y175 WeakPolarHBondContact CD-OH 3.48Å; F146-Y175 HydrophobicContact CD2-CE2 4.13Å; F146-Y175 AromaticContact CD2-CZ 3.99Å; F146-Y175 WeakPolarHBondContact CD2-OH 3.45Å; F146-Y175 AromaticContact CE2-CE2 3.79Å; F146-Y175 HydrophobicContact CE2-CE2 3.79Å; F146-Y175 AromaticContact CE2-CZ 3.87Å; L171-Y175 HydrophobicContact CD1-CD2 4.33Å; L171-Y175 HydrophobicContact CD1-CE2 4.03Å; L171-Y175 HydrophobicContact CD2-CD2 3.87Å; L171-Y175 HydrophobicContact CD2-CE2 4.39Å; L171-Y175 HydrophobicContact CG-CD2 3.66Å; L171-Y175 HydrophobicContact CG-CE2 3.79Å; L171-Y175 PolarHBondContact O-N 3.06Å; Y175-L178 HydrophobicContact CD2-CD2 4.01Å; Y175-L178 HydrophobicContact CG-CD2 4.35Å; Y175-V184 HydrophobicContact CE2-CG1 4.37Å
176G94.9Very high93.7Very high13 Ų1331 Ų3113%0.13418%0.181CC..  trans75.9-134.6-167.800000111.3H119 M172H119-G176 WeakPolarHBondContact CE1-CA 3.09Å; H119-G176 PolarHBondContact CE1-N 3Å; M172-G176 WeakPolarHBondContact CE-O 3.28Å; M172-G176 VanDerWaalsContact O-CA 3.22Å; M172-G176 WeakPolarHBondContact O-CA 3.44Å; M172-G176 PolarHBondContact O-N 3.32Å
177S93.7Very high94.9Very high63 Ų6329.2 Ų29.244%0.44116%0.163SC..  trans-69.8145.6177.3-172.90000111.6D179S177-D179 PolarHBondContact OG-N 3.26Å; S177-D179 PolarHBondContact OG-OD2 2.94Å
178L95.4Very high95.5Very high11 Ų1129.4 Ų29.46%0.05816%0.164CC..  trans-106.98.1176.9-55178.2000112.8L171 M172 Y175 N180 V181 L200 K203L171-L178 HydrophobicContact CD2-CD1 3.46Å; L171-L178 VanDerWaalsContact CD2-CD1 3.46Å; L171-L178 HydrophobicContact CD2-CD2 3.99Å; L171-L178 HydrophobicContact CD2-CG 4.19Å; M172-L178 HydrophobicContact SD-CD1 4.15Å; M172-L178 HydrophobicContact SD-CG 4.22Å; Y175-L178 HydrophobicContact CD2-CD2 4.01Å; Y175-L178 HydrophobicContact CG-CD2 4.35Å; L178-N180 PolarHBondContact O-N 3.45Å; L178-N180 VanDerWaalsContact O-N 3.13Å; L178-V181 HydrophobicContact CB-CB 4.33Å; L178-V181 HydrophobicContact CB-CG2 4.31Å; L178-V181 HydrophobicContact CD2-CG2 4.09Å; L178-V181 WeakPolarHBondContact O-CB 3.25Å; L178-V181 PolarHBondContact O-N 2.83Å; L178-L200 HydrophobicContact CD1-CD2 3.8Å; L178-K203 HydrophobicContact CD1-CD 3.94Å
179D94.7Very high96.1Very high136 Ų13629.3 Ų29.373%0.72716%0.161SC*.THydrogen-bonded Turntrans-59.6-29.4-172.4-60.9-32.6000113S177S177-D179 PolarHBondContact OG-N 3.26Å; S177-D179 PolarHBondContact OG-OD2 2.94Å
180N96.1Very high96.4Very high29 Ų2925.2 Ų25.216%0.15514%0.139CC..THydrogen-bonded Turntrans-101.314.9178.1-66.6-36.3000113.2L122 I125 N126 G139 F140 L178L122-N180 PolarHBondContact O-ND2 3.12Å; I125-N180 VanDerWaalsContact O-CG 3.26Å; I125-N180 PolarHBondContact O-ND2 2.87Å; N126-N180 PolarHBondContact OD1-ND2 2.88Å; G139-N180 CarbonylContact C-O 3.55Å; G139-N180 WeakPolarHBondContact CA-O 3.29Å; F140-N180 HydrophobicContact CD2-CB 4.3Å; F140-N180 WeakPolarHBondContact CD2-O 3.41Å; F140-N180 PolarHBondContact N-O 3.41Å; L178-N180 PolarHBondContact O-N 3.45Å; L178-N180 VanDerWaalsContact O-N 3.13Å
181V98.3Very high96.4Very high11 Ų1128.7 Ų28.77%0.06716%0.162CC..EExtended strand (participates in β ladder)trans-102.9121-176-179.60000110.1L122 L142 L178 V184 V205L122-V181 HydrophobicContact CD1-CG2 4.24Å; L122-V181 HydrophobicContact CD2-CG2 4.14Å; L142-V181 HydrophobicContact CD1-CG1 3.86Å; L142-V181 HydrophobicContact CD1-CG2 3.81Å; L142-V181 HydrophobicContact CG-CG1 4.01Å; L142-V181 HydrophobicContact CG-CG2 4.35Å; L178-V181 HydrophobicContact CB-CB 4.33Å; L178-V181 HydrophobicContact CB-CG2 4.31Å; L178-V181 HydrophobicContact CD2-CG2 4.09Å; L178-V181 WeakPolarHBondContact O-CB 3.25Å; L178-V181 PolarHBondContact O-N 2.83Å; V181-V184 HydrophobicContact CG1-CG2 3.92Å; V181-V205 HydrophobicContact CG1-CG1 3.93Å
182A98.5Very high96.4Very high13 Ų1333.3 Ų33.311%0.10718%0.183CC..EExtended strand (participates in β ladder)trans-88.2-34.9176.400000112.1F140 T206 L365F140-A182 PolarHBondContact O-N 2.87Å; A182-T206 WeakPolarHBondContact O-CB 3.21Å; A182-T206 PolarHBondContact O-N 3.28Å; A182-L365 HydrophobicContact CB-CD2 4.4Å
183M98.7Very high96.5Very high0 Ų030.2 Ų30.20%017%0.168CC..EExtended strand (participates in β ladder)trans-150146.6-170.6-174.4162.264.600112.7V70 F140 H141 L142 T206 F229V70-M183 HydrophobicContact CB-CE 4.17Å; V70-M183 HydrophobicContact CG2-CE 4.31Å; V70-M183 VanDerWaalsContact O-CE 3.22Å; V70-M183 WeakPolarHBondContact O-CE 3.49Å; F140-M183 PolarHBondContact O-N 3.23Å; F140-M183 VanDerWaalsContact O-N 3.11Å; H141-M183 CarbonylContact C-O 3.54Å; H141-M183 WeakPolarHBondContact CA-O 3.31Å; H141-M183 HydrophobicContact CB-CB 4.34Å; H141-M183 HydrophobicContact CB-CE 4Å; H141-M183 VanDerWaalsContact CG-CE 3.42Å; L142-M183 PolarHBondContact N-O 3.02Å; M183-T206 CarbonylContact C-O 3.44Å; M183-T206 VanDerWaalsContact CA-O 3.24Å; M183-T206 WeakPolarHBondContact CA-O 3.43Å; M183-T206 HydrophobicContact CG-CG2 3.95Å; M183-T206 HydrophobicContact SD-CG2 3.87Å; M183-F229 HydrophobicContact CE-CD1 4.13Å; M183-F229 HydrophobicContact CE-CE1 4.09Å; M183-F229 HydrophobicContact SD-CD1 3.47Å; M183-F229 WeakPolarHBondContact SD-CD1 3.37Å; M183-F229 HydrophobicContact SD-CE1 4.02Å; M183-F229 HydrophobicContact SD-CG 4.26Å
184V98.8Very high96.4Very high0 Ų027.8 Ų27.80%016%0.156CC..EExtended strand (participates in β ladder)trans-130.2127.1171.81770000109.4L142 Y175 V181 L200 V205 T206 S208L142-V184 HydrophobicContact CB-CG2 4.17Å; L142-V184 HydrophobicContact CD1-CG2 4.26Å; L142-V184 CarbonylContact O-C 3.51Å; L142-V184 WeakPolarHBondContact O-CA 3.34Å; Y175-V184 HydrophobicContact CE2-CG1 4.37Å; V181-V184 HydrophobicContact CG1-CG2 3.92Å; V184-L200 HydrophobicContact CB-CD1 4.01Å; V184-L200 HydrophobicContact CG1-CD1 4.17Å; V184-L200 HydrophobicContact CG2-CD1 4.25Å; V184-L200 HydrophobicContact CG2-CD2 4.08Å; V184-V205 HydrophobicContact CB-CG1 4.5Å; V184-V205 HydrophobicContact CG2-CG1 3.83Å; V184-T206 PolarHBondContact N-O 3.2Å; V184-S208 PolarHBondContact O-N 3.41Å
185T98.9Very high96.3Very high0 Ų030.1 Ų30.10%017%0.173CC..EExtended strand (participates in β ladder)trans-91.9128.1167-62.90000110.3H141 L142 E143 G144 S208 T231H141-T185 PolarHBondContact NE2-OG1 2.9Å; L142-T185 PolarHBondContact O-N 3Å; E143-T185 HydrophobicContact CG-CG2 4.22Å; G144-T185 PolarHBondContact N-O 3.48Å; T185-S208 VanDerWaalsContact CA-O 3.32Å; T185-S208 WeakPolarHBondContact CA-O 3.38Å; T185-S208 WeakPolarHBondContact OG1-CB 3.29Å; T185-T231 HydrophobicContact CG2-CG2 4.34Å; T185-T231 WeakPolarHBondContact CG2-OG1 3.29Å; T185-T231 PolarHBondContact OG1-OG1 2.88Å
186L98.6Very high96.3Very high0 Ų030.1 Ų30.10%017%0.173CC..EExtended strand (participates in β ladder)trans-142.2162.3175.663.280.3000112F146 F163 V196 V197 L200 V207 S208 G210F146-L186 HydrophobicContact CB-CB 4.27Å; F146-L186 CarbonylContact O-C 3.49Å; F146-L186 VanDerWaalsContact O-CA 3.25Å; F146-L186 WeakPolarHBondContact O-CA 3.35Å; F146-L186 WeakPolarHBondContact O-CB 3.08Å; F163-L186 HydrophobicContact CZ-CD2 4.43Å; L186-V196 HydrophobicContact CD2-CG1 4.02Å; L186-V197 HydrophobicContact CD1-CG2 4.22Å; L186-V197 HydrophobicContact CD2-CG2 4.41Å; L186-L200 HydrophobicContact CD2-CD1 4.12Å; L186-V207 HydrophobicContact CD2-CG1 4.06Å; L186-V207 HydrophobicContact CG-CG1 4.15Å; L186-S208 PolarHBondContact N-O 3.06Å; L186-G210 PolarHBondContact O-N 2.81Å
187A98.4Very high96.4Very high0 Ų029.5 Ų29.50%017%0.166CC..  trans-89.8114.5173.900000110.3F146 E189 L190F146-A187 PolarHBondContact O-N 3.05Å; A187-E189 VanDerWaalsContact C-N 3.26Å; A187-E189 WeakPolarHBondContact CB-OE2 3.28Å; A187-E189 PolarHBondContact O-N 3.41Å; A187-L190 HydrophobicContact CB-CD1 4.18Å; A187-L190 HydrophobicContact CB-CG 4.03Å; A187-L190 WeakPolarHBondContact O-CB 3.45Å; A187-L190 WeakPolarHBondContact O-CG 3.2Å; A187-L190 PolarHBondContact O-N 3.03Å
188P97.9Very high96.5Very high3 Ų327.9 Ų27.92%0.01916%0.155CC..THydrogen-bonded Turntrans-71.4-17-173.428.6-36000113.9L190 S193 L209 S212 A214 A222P188-L190 PolarHBondContact O-N 3.15Å; P188-S193 PolarHBondContact O-OG 2.8Å; P188-L209 HydrophobicContact CB-CD2 3.98Å; P188-L209 HydrophobicContact CG-CD1 4.32Å; P188-L209 HydrophobicContact CG-CD2 3.91Å; P188-S212 WeakPolarHBondContact CD-OG 3.15Å; P188-A214 HydrophobicContact CG-CB 3.65Å; P188-A222 HydrophobicContact CB-CB 3.65Å
189E97.5Very high96.6Very high37 Ų3729 Ų2917%0.17316%0.162CC..THydrogen-bonded Turntrans-72.8-13.4174.774-83.1-158.600113.6S148 A187 S212 V213 A214S148-E189 VanDerWaalsContact CB-OE1 3.28Å; S148-E189 WeakPolarHBondContact CB-OE1 3.18Å; A187-E189 VanDerWaalsContact C-N 3.26Å; A187-E189 WeakPolarHBondContact CB-OE2 3.28Å; A187-E189 PolarHBondContact O-N 3.41Å; E189-S212 VanDerWaalsContact CD-OG 3.31Å; E189-S212 WeakPolarHBondContact OE1-CA 3.45Å; E189-S212 PolarHBondContact OE1-OG 3.13Å; E189-S212 WeakPolarHBondContact OE2-CB 3.48Å; E189-S212 PolarHBondContact OE2-OG 3.22Å; E189-V213 HydrophobicContact CG-CG2 3.94Å; E189-V213 VanDerWaalsContact OE1-CG2 3.32Å; E189-V213 WeakPolarHBondContact OE1-CG2 3.27Å; E189-V213 PolarHBondContact OE1-N 3.33Å; E189-A214 HydrophobicContact CB-CB 4.28Å
190L96.6Very high96.7Very high25 Ų2522.5 Ų22.513%0.13113%0.128CC..SBendtrans-64.3141.4177.9-65.8-179.3000110.6F146 F163 A187 P188 H192 S193F146-L190 VanDerWaalsContact C-CD1 3.42Å; F146-L190 HydrophobicContact CB-CD1 4.11Å; F146-L190 WeakPolarHBondContact O-CD1 3.3Å; F163-L190 HydrophobicContact CD2-CB 4.12Å; F163-L190 HydrophobicContact CE2-CB 4.24Å; F163-L190 HydrophobicContact CE2-CD1 4.35Å; A187-L190 HydrophobicContact CB-CD1 4.18Å; A187-L190 HydrophobicContact CB-CG 4.03Å; A187-L190 WeakPolarHBondContact O-CB 3.45Å; A187-L190 WeakPolarHBondContact O-CG 3.2Å; A187-L190 PolarHBondContact O-N 3.03Å; P188-L190 PolarHBondContact O-N 3.15Å; L190-H192 PolarHBondContact O-N 3Å; L190-S193 VanDerWaalsContact O-CB 3.25Å; L190-S193 WeakPolarHBondContact O-CB 3.1Å; L190-S193 PolarHBondContact O-N 3.09Å; L190-S193 PolarHBondContact O-OG 2.88Å
191P93.8Very high96.7Very high77 Ų7728 Ų2850%0.515%0.146SC..THydrogen-bonded Turntrans-53.3140.1177.3-25.233.7000111.5F163 S193F163-P191 WeakPolarHBondContact CB-O 3.43Å; F163-P191 WeakPolarHBondContact CD2-O 3.36Å; P191-S193 PolarHBondContact O-N 2.67Å; P191-S193 VanDerWaalsContact O-N 3.14Å
192H93.1Very high96.6Very high102 Ų10235.2 Ų35.247%0.47218%0.179SC..THydrogen-bonded Turntrans63.111.1178.8-47.2-70.9000115.9F163 L190 Q194 S195F163-H192 HydrophobicContact CB-CB 4.22Å; L190-H192 PolarHBondContact O-N 3Å; H192-Q194 PolarHBondContact O-N 3.2Å; H192-S195 PolarHBondContact O-N 2.87Å; H192-S195 PolarHBondContact O-OG 3.2Å
193S95.1Very high96.5Very high1 Ų140.1 Ų40.11%0.00720%0.198CC..Hα-helixtrans-58.6-32.1177.167.30000112.6P188 L190 P191 S195 V196 V197P188-S193 PolarHBondContact O-OG 2.8Å; L190-S193 VanDerWaalsContact O-CB 3.25Å; L190-S193 WeakPolarHBondContact O-CB 3.1Å; L190-S193 PolarHBondContact O-N 3.09Å; L190-S193 PolarHBondContact O-OG 2.88Å; P191-S193 PolarHBondContact O-N 2.67Å; P191-S193 VanDerWaalsContact O-N 3.14Å; S193-S195 PolarHBondContact O-N 2.93Å; S193-V196 WeakPolarHBondContact O-CB 3.46Å; S193-V196 PolarHBondContact O-N 2.9Å; S193-V197 WeakPolarHBondContact O-CG2 3.49Å; S193-V197 PolarHBondContact O-N 3.35Å
194Q92.7Very high96.4Very high62 Ų6243.2 Ų43.229%0.2923%0.23SC..Hα-helixtrans-62.8-42.2-178-6683-0.900113.3H192 V196 V197 S198 D221H192-Q194 PolarHBondContact O-N 3.2Å; Q194-V196 VanDerWaalsContact C-N 3.32Å; Q194-V197 PolarHBondContact O-N 3.02Å; Q194-S198 PolarHBondContact O-N 3.47Å; Q194-S198 PolarHBondContact O-OG 2.84Å; Q194-D221 WeakPolarHBondContact CG-OD2 3.35Å; Q194-D221 PolarHBondContact NE2-OD2 3.29Å
195S93.8Very high96.4Very high49 Ų4943.6 Ų43.634%0.34323%0.232SC..Hα-helixtrans-66.8-40.5177.358.30000110.1H192 S193 S198 T199H192-S195 PolarHBondContact O-N 2.87Å; H192-S195 PolarHBondContact O-OG 3.2Å; S193-S195 PolarHBondContact O-N 2.93Å; S195-S198 WeakPolarHBondContact O-CB 3.49Å; S195-S198 PolarHBondContact O-N 2.92Å; S195-T199 PolarHBondContact O-N 2.81Å; S195-T199 PolarHBondContact O-OG1 2.75Å
196V96.3Very high96.4Very high1 Ų144.3 Ų44.31%0.00624%0.236CC..Hα-helixtrans-61.1-48.5176176.90000111.6F163 L171 L186 S193 Q194 S198 T199 L200F163-V196 HydrophobicContact CD1-CG2 3.81Å; F163-V196 HydrophobicContact CD2-CG2 4.38Å; F163-V196 HydrophobicContact CE1-CB 4.34Å; F163-V196 HydrophobicContact CE1-CG1 4.01Å; F163-V196 HydrophobicContact CE1-CG2 3.7Å; F163-V196 HydrophobicContact CE2-CG2 4.29Å; F163-V196 HydrophobicContact CG-CG2 4.15Å; F163-V196 HydrophobicContact CZ-CB 4.2Å; F163-V196 HydrophobicContact CZ-CG1 3.9Å; F163-V196 HydrophobicContact CZ-CG2 3.95Å; L171-V196 HydrophobicContact CD1-CG1 3.44Å; L171-V196 VanDerWaalsContact CD1-CG1 3.44Å; L186-V196 HydrophobicContact CD2-CG1 4.02Å; S193-V196 WeakPolarHBondContact O-CB 3.46Å; S193-V196 PolarHBondContact O-N 2.9Å; Q194-V196 VanDerWaalsContact C-N 3.32Å; V196-S198 VanDerWaalsContact C-N 3.26Å; V196-S198 PolarHBondContact O-N 3.16Å; V196-T199 PolarHBondContact O-N 3.31Å; V196-L200 HydrophobicContact CG1-CD1 3.85Å; V196-L200 HydrophobicContact CG1-CG 4.29Å; V196-L200 WeakPolarHBondContact O-CB 3.35Å; V196-L200 WeakPolarHBondContact O-CG 3.23Å; V196-L200 PolarHBondContact O-N 3.03Å
197V97.5Very high96.4Very high0 Ų044.3 Ų44.30%024%0.237CC..Hα-helixtrans-55.9-45176.3173.40000110.3L186 S193 Q194 R201 V207 H225 A227L186-V197 HydrophobicContact CD1-CG2 4.22Å; L186-V197 HydrophobicContact CD2-CG2 4.41Å; S193-V197 WeakPolarHBondContact O-CG2 3.49Å; S193-V197 PolarHBondContact O-N 3.35Å; Q194-V197 PolarHBondContact O-N 3.02Å; V197-R201 WeakPolarHBondContact O-CB 3.27Å; V197-R201 PolarHBondContact O-N 3.11Å; V197-V207 HydrophobicContact CB-CG1 4.45Å; V197-V207 HydrophobicContact CG1-CB 4.35Å; V197-V207 HydrophobicContact CG1-CG1 4.22Å; V197-V207 HydrophobicContact CG1-CG2 4.34Å; V197-V207 HydrophobicContact CG2-CG1 3.95Å; V197-H225 HydrophobicContact CB-CB 4.26Å; V197-H225 HydrophobicContact CG1-CB 3.92Å; V197-A227 HydrophobicContact CG1-CB 4.41Å
198S96.6Very high96.4Very high28 Ų2844.3 Ų44.320%0.19624%0.237CC..Hα-helixtrans-64-43.5178.9-57.20000111.9Q194 S195 V196 Q202Q194-S198 PolarHBondContact O-N 3.47Å; Q194-S198 PolarHBondContact O-OG 2.84Å; S195-S198 WeakPolarHBondContact O-CB 3.49Å; S195-S198 PolarHBondContact O-N 2.92Å; V196-S198 VanDerWaalsContact C-N 3.26Å; V196-S198 PolarHBondContact O-N 3.16Å; S198-Q202 VanDerWaalsContact O-CG 3.28Å; S198-Q202 WeakPolarHBondContact O-CG 3.44Å; S198-Q202 PolarHBondContact O-N 2.9Å
199T96.4Very high96.5Very high34 Ų3444.2 Ų44.221%0.20924%0.236CC..Hα-helixtrans-65.3-44.9177.5-64.60000112.3T168 S195 V196 R201 Q202 K203T168-T199 HydrophobicContact CG2-CG2 3.83Å; T168-T199 PolarHBondContact OG1-OG1 3.44Å; S195-T199 PolarHBondContact O-N 2.81Å; S195-T199 PolarHBondContact O-OG1 2.75Å; V196-T199 PolarHBondContact O-N 3.31Å; T199-R201 PolarHBondContact O-N 2.81Å; T199-Q202 PolarHBondContact O-N 3.32Å; T199-K203 HydrophobicContact CG2-CD 4.4Å; T199-K203 PolarHBondContact O-N 2.91Å; T199-K203 VanDerWaalsContact O-N 3.09Å
200L97.8Very high96.5Very high1 Ų142.5 Ų42.51%0.00523%0.228CC..Hα-helixtrans-60.6-46.1177.3-73.2171.8000111.1L171 L178 V184 L186 V196 Q202 K203 G204 V205 V207L171-L200 HydrophobicContact CD1-CD1 3.92Å; L171-L200 HydrophobicContact CD1-CD2 3.92Å; L171-L200 HydrophobicContact CD1-CG 4.1Å; L171-L200 HydrophobicContact CD2-CD2 4.19Å; L178-L200 HydrophobicContact CD1-CD2 3.8Å; V184-L200 HydrophobicContact CB-CD1 4.01Å; V184-L200 HydrophobicContact CG1-CD1 4.17Å; V184-L200 HydrophobicContact CG2-CD1 4.25Å; V184-L200 HydrophobicContact CG2-CD2 4.08Å; L186-L200 HydrophobicContact CD2-CD1 4.12Å; V196-L200 HydrophobicContact CG1-CD1 3.85Å; V196-L200 HydrophobicContact CG1-CG 4.29Å; V196-L200 WeakPolarHBondContact O-CB 3.35Å; V196-L200 WeakPolarHBondContact O-CG 3.23Å; V196-L200 PolarHBondContact O-N 3.03Å; L200-Q202 VanDerWaalsContact C-N 3.34Å; L200-Q202 PolarHBondContact O-N 2.83Å; L200-K203 CarbonylContact O-C 3.52Å; L200-K203 WeakPolarHBondContact O-CA 3.42Å; L200-K203 WeakPolarHBondContact O-CB 3.33Å; L200-K203 PolarHBondContact O-N 3.25Å; L200-G204 PolarHBondContact O-N 3.18Å; L200-V205 CarbonylContact C-O 3.47Å; L200-V205 HydrophobicContact CB-CB 4.22Å; L200-V205 HydrophobicContact CD2-CB 4.13Å; L200-V205 HydrophobicContact CD2-CG1 4.1Å; L200-V205 HydrophobicContact CD2-CG2 4.43Å; L200-V205 PolarHBondContact O-N 3.03Å; L200-V207 HydrophobicContact CB-CG2 3.45Å; L200-V207 VanDerWaalsContact CB-CG2 3.45Å; L200-V207 HydrophobicContact CD1-CG2 3.79Å; L200-V207 HydrophobicContact CG-CG2 4.28Å
201R96.3Very high96.6Very high144 Ų14441.6 Ų41.654%0.54322%0.223SC..Hα-helixtrans-57.8-44.6174.8-174.7-160.1176.8-160.7-5.6112.1V197 T199 K203 G204V197-R201 WeakPolarHBondContact O-CB 3.27Å; V197-R201 PolarHBondContact O-N 3.11Å; T199-R201 PolarHBondContact O-N 2.81Å; R201-K203 PolarHBondContact O-N 3.29Å; R201-G204 PolarHBondContact O-N 3.18Å
202Q96.3Very high96.8Very high163 Ų16338 Ų3876%0.76220%0.2SC*.Hα-helixtrans-62.6-29.2177.9-75.1170.49.500112.6S198 T199 L200 G204S198-Q202 VanDerWaalsContact O-CG 3.28Å; S198-Q202 WeakPolarHBondContact O-CG 3.44Å; S198-Q202 PolarHBondContact O-N 2.9Å; T199-Q202 PolarHBondContact O-N 3.32Å; L200-Q202 VanDerWaalsContact C-N 3.34Å; L200-Q202 PolarHBondContact O-N 2.83Å; Q202-G204 VanDerWaalsContact C-N 3.26Å
203K96.1Very high97Very high116 Ų11634.6 Ų34.650%0.50419%0.186SC..THydrogen-bonded Turntrans-82.10.8173.8-71179171.4-72.40113.8L178 T199 L200 R201 V205L178-K203 HydrophobicContact CD1-CD 3.94Å; T199-K203 HydrophobicContact CG2-CD 4.4Å; T199-K203 PolarHBondContact O-N 2.91Å; T199-K203 VanDerWaalsContact O-N 3.09Å; L200-K203 CarbonylContact O-C 3.52Å; L200-K203 WeakPolarHBondContact O-CA 3.42Å; L200-K203 WeakPolarHBondContact O-CB 3.33Å; L200-K203 PolarHBondContact O-N 3.25Å; R201-K203 PolarHBondContact O-N 3.29Å; K203-V205 VanDerWaalsContact C-N 3.27Å; K203-V205 HydrophobicContact CB-CG2 4.19Å; K203-V205 PolarHBondContact O-N 3.18Å
204G96.6Very high97.2Very high65 Ų6534.6 Ų34.667%0.6719%0.186SC*.THydrogen-bonded Turntrans76.511.6-176.600000114.2L200 R201 Q202L200-G204 PolarHBondContact O-N 3.18Å; R201-G204 PolarHBondContact O-N 3.18Å; Q202-G204 VanDerWaalsContact C-N 3.26Å
205V98.4Very high97.4Very high7 Ų734.1 Ų34.14%0.04219%0.186CC..  trans-86127.2177.8-177.30000109.4V181 V184 L200 K203 V207V181-V205 HydrophobicContact CG1-CG1 3.93Å; V184-V205 HydrophobicContact CB-CG1 4.5Å; V184-V205 HydrophobicContact CG2-CG1 3.83Å; L200-V205 CarbonylContact C-O 3.47Å; L200-V205 HydrophobicContact CB-CB 4.22Å; L200-V205 HydrophobicContact CD2-CB 4.13Å; L200-V205 HydrophobicContact CD2-CG1 4.1Å; L200-V205 HydrophobicContact CD2-CG2 4.43Å; L200-V205 PolarHBondContact O-N 3.03Å; K203-V205 VanDerWaalsContact C-N 3.27Å; K203-V205 HydrophobicContact CB-CG2 4.19Å; K203-V205 PolarHBondContact O-N 3.18Å; V205-V207 PolarHBondContact O-N 2.96Å
206T98.7Very high97.7Very high15 Ų1533.4 Ų33.49%0.09218%0.178CC..EExtended strand (participates in β ladder)trans-66.1131.6175-64.60000109.9A182 M183 V184 F229 L364A182-T206 WeakPolarHBondContact O-CB 3.21Å; A182-T206 PolarHBondContact O-N 3.28Å; M183-T206 CarbonylContact C-O 3.44Å; M183-T206 VanDerWaalsContact CA-O 3.24Å; M183-T206 WeakPolarHBondContact CA-O 3.43Å; M183-T206 HydrophobicContact CG-CG2 3.95Å; M183-T206 HydrophobicContact SD-CG2 3.87Å; V184-T206 PolarHBondContact N-O 3.2Å; T206-F229 HydrophobicContact CG2-CB 4.26Å; T206-L364 HydrophobicContact CG2-CD1 3.66Å; T206-L364 HydrophobicContact CG2-CG 4.32Å
207V98.8Very high97.7Very high1 Ų136.9 Ų36.91%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-105.8122.6176.1-174.30000109.8L186 V197 L200 V205 A227 S228 F229L186-V207 HydrophobicContact CD2-CG1 4.06Å; L186-V207 HydrophobicContact CG-CG1 4.15Å; V197-V207 HydrophobicContact CB-CG1 4.45Å; V197-V207 HydrophobicContact CG1-CB 4.35Å; V197-V207 HydrophobicContact CG1-CG1 4.22Å; V197-V207 HydrophobicContact CG1-CG2 4.34Å; V197-V207 HydrophobicContact CG2-CG1 3.95Å; L200-V207 HydrophobicContact CB-CG2 3.45Å; L200-V207 VanDerWaalsContact CB-CG2 3.45Å; L200-V207 HydrophobicContact CD1-CG2 3.79Å; L200-V207 HydrophobicContact CG-CG2 4.28Å; V205-V207 PolarHBondContact O-N 2.96Å; V207-A227 HydrophobicContact CB-CB 4.43Å; V207-A227 HydrophobicContact CG1-CB 4.33Å; V207-A227 WeakPolarHBondContact O-CA 3.38Å; V207-S228 PolarHBondContact O-N 3.19Å; V207-F229 PolarHBondContact O-N 3.37Å
208S98.8Very high97.8Very high0 Ų040 Ų400%022%0.217CC..EExtended strand (participates in β ladder)trans-109.8140.4179.3-169.70000111.4V184 T185 L186 F229 T231V184-S208 PolarHBondContact O-N 3.41Å; T185-S208 VanDerWaalsContact CA-O 3.32Å; T185-S208 WeakPolarHBondContact CA-O 3.38Å; T185-S208 WeakPolarHBondContact OG1-CB 3.29Å; L186-S208 PolarHBondContact N-O 3.06Å; S208-F229 CarbonylContact C-O 3.54Å; S208-F229 VanDerWaalsContact CA-O 3.31Å; S208-F229 WeakPolarHBondContact CA-O 3.3Å; S208-F229 WeakPolarHBondContact OG-CD1 3.4Å; S208-T231 PolarHBondContact OG-N 2.68Å; S208-T231 VanDerWaalsContact OG-N 3.13Å; S208-T231 PolarHBondContact OG-OG1 2.95Å
209L98.8Very high97.9Very high1 Ų138.7 Ų38.71%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-95.6126.4174.9-50.1-176000108.9P188 A219 A222 A227 F229 I230 T231 I247 L250P188-L209 HydrophobicContact CB-CD2 3.98Å; P188-L209 HydrophobicContact CG-CD1 4.32Å; P188-L209 HydrophobicContact CG-CD2 3.91Å; L209-A219 HydrophobicContact CD1-CB 4.2Å; L209-A222 HydrophobicContact CD1-CB 4.18Å; L209-A222 HydrophobicContact CD2-CB 3.82Å; L209-A227 HydrophobicContact CD1-CB 4.32Å; L209-A227 HydrophobicContact CD2-CB 3.69Å; L209-A227 HydrophobicContact CG-CB 3.99Å; L209-F229 PolarHBondContact N-O 3.25Å; L209-I230 CarbonylContact O-C 3.54Å; L209-I230 WeakPolarHBondContact O-CA 3.43Å; L209-T231 PolarHBondContact O-N 3.01Å; L209-I247 HydrophobicContact CB-CD1 4.19Å; L209-L250 HydrophobicContact CD1-CD1 3.7Å
210G98.1Very high98Very high0 Ų038.1 Ų38.10%020%0.202CC..  trans-169.5165.4-178.800000111.6L186 S212L186-G210 PolarHBondContact O-N 2.81Å; G210-S212 VanDerWaalsContact C-N 3.3Å; G210-S212 PolarHBondContact O-N 3.27Å
211H98.1Very high98Very high7 Ų739.6 Ų39.63%0.03221%0.21CC..SBendtrans50.152-179.4-69.9-91.7000112.2E143 I147 S148 K151 R152 H155 H232 A236E143-H211 IonicContact OE1-CD2 3.42Å; E143-H211 PolarHBondContact OE1-CD2 2.87Å; E143-H211 VanDerWaalsContact OE1-CD2 3.32Å; E143-H211 IonicContact OE1-NE2 3.38Å; E143-H211 PolarHBondContact OE1-NE2 3.19Å; I147-H211 HydrophobicContact CB-CB 3.54Å; I147-H211 HydrophobicContact CD1-CB 3.81Å; I147-H211 HydrophobicContact CG1-CB 4.19Å; I147-H211 HydrophobicContact CG2-CB 3.68Å; S148-H211 WeakPolarHBondContact CA-O 3.44Å; S148-H211 WeakPolarHBondContact CB-O 3.5Å; S148-H211 PolarHBondContact N-O 3.38Å; K151-H211 WeakPolarHBondContact O-CB 3.32Å; K151-H211 PolarHBondContact O-ND1 2.87Å; R152-H211 PolarHBondContact O-ND1 3.14Å; H155-H211 AromaticContact CD2-CE1 3.43Å; H155-H211 PolarHBondContact CD2-CE1 2.76Å; H155-H211 VanDerWaalsContact CD2-CE1 3.43Å; H155-H211 AromaticContact CD2-ND1 3.87Å; H155-H211 AromaticContact CD2-NE2 3.98Å; H155-H211 AromaticContact NE2-CE1 3.49Å; H155-H211 PolarHBondContact NE2-CE1 2.85Å; H155-H211 AromaticContact NE2-NE2 3.55Å; H211-H232 AromaticContact CD2-CE1 3.67Å; H211-H232 AromaticContact CD2-NE2 3.8Å; H211-H232 AromaticContact NE2-CE1 3.33Å; H211-H232 PolarHBondContact NE2-CE1 3.09Å; H211-H232 VanDerWaalsContact NE2-CE1 3.33Å; H211-H232 AromaticContact NE2-NE2 3.16Å; H211-H232 PolarHBondContact NE2-NE2 2.83Å; H211-H232 VanDerWaalsContact NE2-NE2 3.16Å; H211-A236 CarbonylContact C-O 3.6Å; H211-A236 WeakPolarHBondContact CA-O 3.36Å; H211-A236 HydrophobicContact CB-CB 4.49Å; H211-A236 VanDerWaalsContact CE1-CB 3.49Å; H211-A236 WeakPolarHBondContact CE1-CB 3.5Å; H211-A236 PolarHBondContact N-O 3.44Å; H211-A236 WeakPolarHBondContact ND1-CB 3.27Å
212S98.4Very high98.1Very high1 Ų132.8 Ų32.81%0.00719%0.185CC..BIsolated β-bridgetrans-138.3145.2-161.9166.50000112.5P188 E189 G210 A214 A236 M237 I247P188-S212 WeakPolarHBondContact CD-OG 3.15Å; E189-S212 VanDerWaalsContact CD-OG 3.31Å; E189-S212 WeakPolarHBondContact OE1-CA 3.45Å; E189-S212 PolarHBondContact OE1-OG 3.13Å; E189-S212 WeakPolarHBondContact OE2-CB 3.48Å; E189-S212 PolarHBondContact OE2-OG 3.22Å; G210-S212 VanDerWaalsContact C-N 3.3Å; G210-S212 PolarHBondContact O-N 3.27Å; S212-A214 WeakPolarHBondContact OG-CB 3.35Å; S212-A214 PolarHBondContact OG-N 2.97Å; S212-A236 PolarHBondContact N-O 2.88Å; S212-A236 VanDerWaalsContact N-O 3.09Å; S212-M237 WeakPolarHBondContact O-CA 3.16Å; S212-I247 WeakPolarHBondContact OG-CD1 3.29Å
213V98.2Very high98.1Very high31 Ų3125 Ų2519%0.18815%0.149CC..  trans-100.319.9169.3-620000113.2E150 K151 E189 L238E150-V213 HydrophobicContact CB-CG1 3.78Å; K151-V213 HydrophobicContact CG-CG1 3.5Å; E189-V213 HydrophobicContact CG-CG2 3.94Å; E189-V213 VanDerWaalsContact OE1-CG2 3.32Å; E189-V213 WeakPolarHBondContact OE1-CG2 3.27Å; E189-V213 PolarHBondContact OE1-N 3.33Å; V213-L238 HydrophobicContact CB-CD2 4.23Å; V213-L238 HydrophobicContact CB-CG 4.32Å; V213-L238 HydrophobicContact CG1-CD2 4.19Å; V213-L238 VanDerWaalsContact O-CD1 3.28Å; V213-L238 WeakPolarHBondContact O-CD1 3.37Å
214A98.3Very high98.2Very high1 Ų125.2 Ų25.21%0.00815%0.146CC..  trans-66.8137.9-176.900000113P188 E189 S212 Q218 I247P188-A214 HydrophobicContact CG-CB 3.65Å; E189-A214 HydrophobicContact CB-CB 4.28Å; S212-A214 WeakPolarHBondContact OG-CB 3.35Å; S212-A214 PolarHBondContact OG-N 2.97Å; A214-Q218 HydrophobicContact CB-CB 4.03Å; A214-I247 HydrophobicContact CB-CD1 4.33Å; A214-I247 HydrophobicContact CB-CG1 4.29Å
215N98.3Very high98.2Very high52 Ų5225.1 Ų25.128%0.27813%0.128SC..  trans-73.5170.9165.661.145.3000111.5S217 Q218 A219 D244N215-S217 VanDerWaalsContact C-N 3.31Å; N215-S217 PolarHBondContact O-N 3.05Å; N215-S217 PolarHBondContact OD1-N 3.2Å; N215-S217 VanDerWaalsContact OD1-N 3.16Å; N215-Q218 VanDerWaalsContact N-OE1 3.09Å; N215-Q218 PolarHBondContact ND2-OE1 3.39Å; N215-Q218 PolarHBondContact O-N 3Å; N215-Q218 WeakPolarHBondContact OD1-CB 3.46Å; N215-Q218 WeakPolarHBondContact OD1-CG 3.34Å; N215-Q218 PolarHBondContact OD1-N 2.92Å; N215-Q218 PolarHBondContact OD1-OE1 2.77Å; N215-A219 PolarHBondContact O-N 2.79Å; N215-A219 VanDerWaalsContact O-N 3.07Å; N215-D244 WeakPolarHBondContact CB-OD2 3.4Å
216L98.4Very high98.1Very high34 Ų3424.9 Ų24.918%0.17813%0.127CC..Hα-helixtrans-57.1-43.5179.3177.160.4000112.3Q218 A219 E220 D244 P245 L250L216-Q218 PolarHBondContact O-N 2.94Å; L216-A219 WeakPolarHBondContact O-CB 3.14Å; L216-A219 PolarHBondContact O-N 2.94Å; L216-A219 VanDerWaalsContact O-N 3.11Å; L216-E220 HydrophobicContact CD1-CG 3.86Å; L216-E220 HydrophobicContact CG-CG 4.15Å; L216-E220 WeakPolarHBondContact CG-OE1 3.42Å; L216-E220 WeakPolarHBondContact O-CG 3.43Å; L216-E220 PolarHBondContact O-N 3.02Å; L216-D244 PolarHBondContact N-OD1 3.22Å; L216-P245 HydrophobicContact CB-CG 4.15Å; L216-P245 HydrophobicContact CD2-CG 3.7Å; L216-P245 HydrophobicContact CG-CG 4.34Å; L216-L250 HydrophobicContact CD1-CD2 4.23Å
217S98Very high98.1Very high74 Ų7424.2 Ų24.252%0.51712%0.123SC..Hα-helixtrans-62.5-41.2-176.5-175.60000112.7N215 D221N215-S217 VanDerWaalsContact C-N 3.31Å; N215-S217 PolarHBondContact O-N 3.05Å; N215-S217 PolarHBondContact OD1-N 3.2Å; N215-S217 VanDerWaalsContact OD1-N 3.16Å; S217-D221 WeakPolarHBondContact O-CB 3.25Å; S217-D221 PolarHBondContact O-N 2.89Å
218Q98.3Very high98.1Very high65 Ų6525.2 Ų25.230%0.30413%0.13SC..Hα-helixtrans-65.9-40173.7-72.2170.1-46.200111.7A214 N215 L216 D221 A222A214-Q218 HydrophobicContact CB-CB 4.03Å; N215-Q218 VanDerWaalsContact N-OE1 3.09Å; N215-Q218 PolarHBondContact ND2-OE1 3.39Å; N215-Q218 PolarHBondContact O-N 3Å; N215-Q218 WeakPolarHBondContact OD1-CB 3.46Å; N215-Q218 WeakPolarHBondContact OD1-CG 3.34Å; N215-Q218 PolarHBondContact OD1-N 2.92Å; N215-Q218 PolarHBondContact OD1-OE1 2.77Å; L216-Q218 PolarHBondContact O-N 2.94Å; Q218-D221 WeakPolarHBondContact O-CB 3.42Å; Q218-D221 PolarHBondContact O-N 3.04Å; Q218-A222 PolarHBondContact O-N 3.42Å
219A98.4Very high98.1Very high0 Ų025.2 Ų25.20%013%0.13CC..Hα-helixtrans-65.4-43.5177.600000111.5L209 N215 L216 D221 A222 V223 I247 L250L209-A219 HydrophobicContact CD1-CB 4.2Å; N215-A219 PolarHBondContact O-N 2.79Å; N215-A219 VanDerWaalsContact O-N 3.07Å; L216-A219 WeakPolarHBondContact O-CB 3.14Å; L216-A219 PolarHBondContact O-N 2.94Å; L216-A219 VanDerWaalsContact O-N 3.11Å; A219-D221 VanDerWaalsContact C-N 3.33Å; A219-D221 PolarHBondContact O-N 3.46Å; A219-A222 PolarHBondContact O-N 3.1Å; A219-V223 WeakPolarHBondContact O-CG2 3.28Å; A219-V223 PolarHBondContact O-N 3.45Å; A219-I247 HydrophobicContact CB-CG1 3.97Å; A219-L250 HydrophobicContact CB-CD1 3.83Å; A219-L250 HydrophobicContact CB-CD2 4Å; A219-L250 HydrophobicContact CB-CG 3.92Å
220E98.4Very high98.1Very high22 Ų2225.1 Ų25.110%0.10313%0.13CC..Hα-helixtrans-63.4-39.5174.5-71.6170164.100111.5L216 V223 R224 L250 S253 Q255L216-E220 HydrophobicContact CD1-CG 3.86Å; L216-E220 HydrophobicContact CG-CG 4.15Å; L216-E220 WeakPolarHBondContact CG-OE1 3.42Å; L216-E220 WeakPolarHBondContact O-CG 3.43Å; L216-E220 PolarHBondContact O-N 3.02Å; E220-V223 PolarHBondContact O-N 3.46Å; E220-R224 WeakPolarHBondContact O-CG 3.31Å; E220-R224 PolarHBondContact O-N 3.43Å; E220-L250 HydrophobicContact CG-CD2 3.88Å; E220-S253 WeakPolarHBondContact OE1-CB 3.49Å; E220-S253 PolarHBondContact OE1-OG 3.41Å; E220-Q255 HydrophobicContact CB-CB 4.42Å; E220-Q255 HydrophobicContact CG-CB 4.11Å
221D97.8Very high98.1Very high32 Ų3225.1 Ų25.117%0.17113%0.13CC..Hα-helixtrans-59.6-44.6173.8-168.163000112Q194 S217 Q218 A219 V223 R224 H225Q194-D221 WeakPolarHBondContact CG-OD2 3.35Å; Q194-D221 PolarHBondContact NE2-OD2 3.29Å; S217-D221 WeakPolarHBondContact O-CB 3.25Å; S217-D221 PolarHBondContact O-N 2.89Å; Q218-D221 WeakPolarHBondContact O-CB 3.42Å; Q218-D221 PolarHBondContact O-N 3.04Å; A219-D221 VanDerWaalsContact C-N 3.33Å; A219-D221 PolarHBondContact O-N 3.46Å; D221-V223 VanDerWaalsContact C-N 3.34Å; D221-V223 PolarHBondContact O-N 2.96Å; D221-R224 VanDerWaalsContact CA-CZ 3.49Å; D221-R224 VanDerWaalsContact CB-NH2 3.31Å; D221-R224 WeakPolarHBondContact O-CB 3.3Å; D221-R224 PolarHBondContact O-N 3.36Å; D221-R224 IonicContact OD1-CZ 3.21Å; D221-R224 IonicContact OD1-NH1 2.66Å; D221-R224 PolarHBondContact OD1-NH1 2.76Å; D221-R224 IonicContact OD1-NH2 3.78Å; D221-R224 PolarHBondContact OD1-NH2 2.99Å; D221-H225 PolarHBondContact O-N 2.81Å; D221-H225 VanDerWaalsContact O-N 3.1Å; D221-H225 PolarHBondContact O-ND1 3.06Å; D221-H225 IonicContact OD1-CE1 3.48Å; D221-H225 PolarHBondContact OD1-CE1 2.64Å; D221-H225 IonicContact OD1-ND1 3.81Å; D221-H225 IonicContact OD2-CE1 3.74Å; D221-H225 IonicContact OD2-ND1 3.05Å
222A98Very high98.1Very high1 Ų125.1 Ų25.11%0.00813%0.13CC..Hα-helixtrans-62.2-40.2174.500000112.3P188 L209 Q218 A219 H225 G226 A227P188-A222 HydrophobicContact CB-CB 3.65Å; L209-A222 HydrophobicContact CD1-CB 4.18Å; L209-A222 HydrophobicContact CD2-CB 3.82Å; Q218-A222 PolarHBondContact O-N 3.42Å; A219-A222 PolarHBondContact O-N 3.1Å; A222-H225 PolarHBondContact O-N 2.81Å; A222-G226 PolarHBondContact O-N 3.23Å; A222-A227 HydrophobicContact CB-CB 4.1Å; A222-A227 WeakPolarHBondContact O-CB 3.03Å; A222-A227 PolarHBondContact O-N 3.36Å
223V98.2Very high98Very high1 Ų125.1 Ų25.11%0.00613%0.129CC..Hα-helixtrans-64.5-40.4175.6176.10000111.7A219 E220 D221 H225 G226 A227 L250 I256 R260 V262A219-V223 WeakPolarHBondContact O-CG2 3.28Å; A219-V223 PolarHBondContact O-N 3.45Å; E220-V223 PolarHBondContact O-N 3.46Å; D221-V223 VanDerWaalsContact C-N 3.34Å; D221-V223 PolarHBondContact O-N 2.96Å; V223-H225 PolarHBondContact O-N 3.49Å; V223-G226 PolarHBondContact O-N 3.14Å; V223-A227 HydrophobicContact CG2-CB 4.36Å; V223-L250 HydrophobicContact CG2-CD1 4.02Å; V223-L250 HydrophobicContact CG2-CD2 4.04Å; V223-I256 HydrophobicContact CB-CD1 4.2Å; V223-I256 HydrophobicContact CG1-CD1 3.95Å; V223-I256 HydrophobicContact CG1-CG2 4.17Å; V223-I256 HydrophobicContact CG2-CD1 4.31Å; V223-R260 PolarHBondContact O-NH1 3Å; V223-V262 HydrophobicContact CG1-CG2 3.91Å; V223-V262 HydrophobicContact CG2-CG2 3.95Å
224R97.1Very high98Very high120 Ų12026.8 Ų26.845%0.45314%0.135SC..Hα-helixtrans-58.5-36.1174.2-76-174.2-82.8104-2.5112E220 D221E220-R224 WeakPolarHBondContact O-CG 3.31Å; E220-R224 PolarHBondContact O-N 3.43Å; D221-R224 VanDerWaalsContact CA-CZ 3.49Å; D221-R224 VanDerWaalsContact CB-NH2 3.31Å; D221-R224 WeakPolarHBondContact O-CB 3.3Å; D221-R224 PolarHBondContact O-N 3.36Å; D221-R224 IonicContact OD1-CZ 3.21Å; D221-R224 IonicContact OD1-NH1 2.66Å; D221-R224 PolarHBondContact OD1-NH1 2.76Å; D221-R224 IonicContact OD1-NH2 3.78Å; D221-R224 PolarHBondContact OD1-NH2 2.99Å
225H96.7Very high97.8Very high62 Ų6228.4 Ų28.429%0.28714%0.143SC..Hα-helixtrans-81-27177.8-71.290.2000114V197 D221 A222 V223V197-H225 HydrophobicContact CB-CB 4.26Å; V197-H225 HydrophobicContact CG1-CB 3.92Å; D221-H225 PolarHBondContact O-N 2.81Å; D221-H225 VanDerWaalsContact O-N 3.1Å; D221-H225 PolarHBondContact O-ND1 3.06Å; D221-H225 IonicContact OD1-CE1 3.48Å; D221-H225 PolarHBondContact OD1-CE1 2.64Å; D221-H225 IonicContact OD1-ND1 3.81Å; D221-H225 IonicContact OD2-CE1 3.74Å; D221-H225 IonicContact OD2-ND1 3.05Å; A222-H225 PolarHBondContact O-N 2.81Å; V223-H225 PolarHBondContact O-N 3.49Å
226G97.1Very high97.6Very high3 Ų327.2 Ų27.23%0.03114%0.141CC..THydrogen-bonded Turntrans151.9-4.4179.400000117.8A222 V223 R260A222-G226 PolarHBondContact O-N 3.23Å; V223-G226 PolarHBondContact O-N 3.14Å; G226-R260 PolarHBondContact O-NH2 3.02Å
227A98.3Very high97.5Very high0 Ų026 Ų260%013%0.134CC..EExtended strand (participates in β ladder)trans-65.7141174.700000111.6V197 V207 L209 A222 V223 R260V197-A227 HydrophobicContact CG1-CB 4.41Å; V207-A227 HydrophobicContact CB-CB 4.43Å; V207-A227 HydrophobicContact CG1-CB 4.33Å; V207-A227 WeakPolarHBondContact O-CA 3.38Å; L209-A227 HydrophobicContact CD1-CB 4.32Å; L209-A227 HydrophobicContact CD2-CB 3.69Å; L209-A227 HydrophobicContact CG-CB 3.99Å; A222-A227 HydrophobicContact CB-CB 4.1Å; A222-A227 WeakPolarHBondContact O-CB 3.03Å; A222-A227 PolarHBondContact O-N 3.36Å; V223-A227 HydrophobicContact CG2-CB 4.36Å; A227-R260 PolarHBondContact O-NE 3.32Å; A227-R260 PolarHBondContact O-NH2 3.35Å
228S98.1Very high97.4Very high22 Ų2225.3 Ų25.315%0.15412%0.124CC..EExtended strand (participates in β ladder)trans-141.62.3-177.452.50000113.5V207 F263V207-S228 PolarHBondContact O-N 3.19Å; S228-F263 PolarHBondContact O-N 2.88Å
229F98.8Very high97.3Very high0 Ų027 Ų270%014%0.14CC..EExtended strand (participates in β ladder)trans-135154.6178.8-160.9-132.4000112.3V70 M183 T206 V207 S208 L209 F263 G265 V290 L364V70-F229 HydrophobicContact CG2-CE1 4.27Å; V70-F229 HydrophobicContact CG2-CZ 4.1Å; M183-F229 HydrophobicContact CE-CD1 4.13Å; M183-F229 HydrophobicContact CE-CE1 4.09Å; M183-F229 HydrophobicContact SD-CD1 3.47Å; M183-F229 WeakPolarHBondContact SD-CD1 3.37Å; M183-F229 HydrophobicContact SD-CE1 4.02Å; M183-F229 HydrophobicContact SD-CG 4.26Å; T206-F229 HydrophobicContact CG2-CB 4.26Å; V207-F229 PolarHBondContact O-N 3.37Å; S208-F229 CarbonylContact C-O 3.54Å; S208-F229 VanDerWaalsContact CA-O 3.31Å; S208-F229 WeakPolarHBondContact CA-O 3.3Å; S208-F229 WeakPolarHBondContact OG-CD1 3.4Å; L209-F229 PolarHBondContact N-O 3.25Å; F229-F263 CarbonylContact C-O 3.47Å; F229-F263 VanDerWaalsContact CA-O 3.26Å; F229-F263 WeakPolarHBondContact CA-O 3.35Å; F229-F263 VanDerWaalsContact CD2-C 3.41Å; F229-F263 HydrophobicContact CD2-CB 3.56Å; F229-F263 WeakPolarHBondContact CD2-O 3.2Å; F229-F263 HydrophobicContact CE2-CB 3.95Å; F229-G265 VanDerWaalsContact CE2-N 3.27Å; F229-G265 VanDerWaalsContact CZ-CA 3.5Å; F229-V290 HydrophobicContact CE2-CB 3.87Å; F229-V290 HydrophobicContact CE2-CG1 4.42Å; F229-V290 HydrophobicContact CE2-CG2 3.9Å; F229-V290 HydrophobicContact CZ-CB 4.14Å; F229-V290 HydrophobicContact CZ-CG1 4.32Å; F229-L364 HydrophobicContact CB-CD1 3.87Å; F229-L364 HydrophobicContact CD1-CD2 4.19Å; F229-L364 HydrophobicContact CD2-CD1 3.93Å; F229-L364 HydrophobicContact CD2-CD2 3.54Å; F229-L364 HydrophobicContact CD2-CG 4.37Å; F229-L364 HydrophobicContact CE1-CD2 4.25Å; F229-L364 HydrophobicContact CE2-CD2 3.59Å; F229-L364 HydrophobicContact CG-CD1 4.05Å; F229-L364 HydrophobicContact CG-CD2 3.86Å; F229-L364 HydrophobicContact CZ-CD2 3.96Å
230I98.8Very high97.1Very high0 Ų033.2 Ų33.20%017%0.168CC..EExtended strand (participates in β ladder)trans-119.5124.1167.6-56.4168.8000106.9L209 L233 M237 I247 L250 L251 V262 F263 Y264 G265L209-I230 CarbonylContact O-C 3.54Å; L209-I230 WeakPolarHBondContact O-CA 3.43Å; I230-L233 HydrophobicContact CD1-CD1 4.2Å; I230-L233 HydrophobicContact CG2-CD1 3.85Å; I230-M237 HydrophobicContact CG2-CE 3.97Å; I230-I247 HydrophobicContact CB-CG2 4.41Å; I230-I247 HydrophobicContact CD1-CG2 3.9Å; I230-I247 HydrophobicContact CG1-CG2 3.94Å; I230-I247 HydrophobicContact CG2-CG2 3.61Å; I230-L250 HydrophobicContact CD1-CB 4.02Å; I230-L250 HydrophobicContact CD1-CD1 4.05Å; I230-L250 HydrophobicContact CG1-CD1 4.26Å; I230-L251 HydrophobicContact CD1-CD1 3.78Å; I230-V262 HydrophobicContact CD1-CG1 4.07Å; I230-V262 HydrophobicContact CG1-CG1 4.09Å; I230-F263 PolarHBondContact N-O 2.97Å; I230-Y264 WeakPolarHBondContact O-CA 3.33Å; I230-G265 PolarHBondContact O-N 2.83Å
231T98.7Very high97Very high0 Ų035.8 Ų35.80%018%0.18CC..SBendtrans-73.3133.9177.9-44.50000108.7T185 S208 L209 L233T185-T231 HydrophobicContact CG2-CG2 4.34Å; T185-T231 WeakPolarHBondContact CG2-OG1 3.29Å; T185-T231 PolarHBondContact OG1-OG1 2.88Å; S208-T231 PolarHBondContact OG-N 2.68Å; S208-T231 VanDerWaalsContact OG-N 3.13Å; S208-T231 PolarHBondContact OG-OG1 2.95Å; L209-T231 PolarHBondContact O-N 3.01Å; T231-L233 PolarHBondContact O-N 2.84Å; T231-L233 VanDerWaalsContact O-N 3.09Å
232H96.9Very high96.9Very high7 Ų740.7 Ų40.73%0.03220%0.201CC..SBendtrans2864.5174.650.838.5000115.4Q71 E143 H211 F234 N235 G265 I267Q71-H232 PolarHBondContact NE2-CD2 2.81Å; E143-H232 IonicContact OE1-CD2 3.8Å; E143-H232 IonicContact OE1-CE1 2.72Å; E143-H232 IonicContact OE1-NE2 3.55Å; E143-H232 PolarHBondContact OE1-NE2 2.82Å; H211-H232 AromaticContact CD2-CE1 3.67Å; H211-H232 AromaticContact CD2-NE2 3.8Å; H211-H232 AromaticContact NE2-CE1 3.33Å; H211-H232 PolarHBondContact NE2-CE1 3.09Å; H211-H232 VanDerWaalsContact NE2-CE1 3.33Å; H211-H232 AromaticContact NE2-NE2 3.16Å; H211-H232 PolarHBondContact NE2-NE2 2.83Å; H211-H232 VanDerWaalsContact NE2-NE2 3.16Å; H232-F234 PolarHBondContact O-N 3.3Å; H232-N235 HydrophobicContact CB-CB 4.29Å; H232-N235 VanDerWaalsContact O-CB 3.25Å; H232-N235 WeakPolarHBondContact O-CB 3.21Å; H232-N235 PolarHBondContact O-N 3.28Å; H232-N235 PolarHBondContact O-ND2 2.88Å; H232-G265 CarbonylContact C-O 3.58Å; H232-G265 VanDerWaalsContact CA-O 3.31Å; H232-G265 WeakPolarHBondContact CA-O 3.25Å; H232-I267 HydrophobicContact CB-CD1 3.75Å; H232-I267 HydrophobicContact CB-CG1 4.14Å
233L98Very high96.8Very high0 Ų050 Ų500%024%0.236CC..THydrogen-bonded Turntrans-38.7137.6-174.3-173.573.1000113.2I230 T231 N235 M237 V248 L251 Y264 G265 M266 A281I230-L233 HydrophobicContact CD1-CD1 4.2Å; I230-L233 HydrophobicContact CG2-CD1 3.85Å; T231-L233 PolarHBondContact O-N 2.84Å; T231-L233 VanDerWaalsContact O-N 3.09Å; L233-N235 VanDerWaalsContact C-N 3.26Å; L233-N235 PolarHBondContact O-N 3.35Å; L233-N235 PolarHBondContact O-ND2 2.72Å; L233-M237 HydrophobicContact CD1-CE 4.5Å; L233-M237 HydrophobicContact CD1-SD 4.13Å; L233-V248 HydrophobicContact CD1-CG2 4.19Å; L233-L251 HydrophobicContact CD1-CD1 3.87Å; L233-L251 HydrophobicContact CD2-CD1 4.03Å; L233-L251 HydrophobicContact CD2-CD2 3.66Å; L233-L251 HydrophobicContact CD2-CG 4.45Å; L233-Y264 HydrophobicContact CB-CD2 4.13Å; L233-Y264 HydrophobicContact CD2-CD2 3.61Å; L233-Y264 HydrophobicContact CD2-CE2 4Å; L233-Y264 HydrophobicContact CD2-CG 4.18Å; L233-Y264 HydrophobicContact CG-CD2 4.44Å; L233-G265 PolarHBondContact N-O 3.41Å; L233-M266 HydrophobicContact CB-SD 3.72Å; L233-M266 HydrophobicContact CD2-SD 3.97Å; L233-M266 HydrophobicContact CG-SD 4.4Å; L233-A281 HydrophobicContact CD2-CB 3.71Å
234F96.6Very high96.8Very high67 Ų6753 Ų5329%0.29425%0.252SS..THydrogen-bonded Turntrans77.5-27.5-169.8-48.7-63.8000116.3H232 M237 V248 M266 T273 A277 A281H232-F234 PolarHBondContact O-N 3.3Å; F234-M237 PolarHBondContact N-SD 3.38Å; F234-V248 HydrophobicContact CD1-CG2 4.03Å; F234-V248 HydrophobicContact CE1-CG1 3.88Å; F234-V248 HydrophobicContact CE1-CG2 4.13Å; F234-M266 HydrophobicContact CD2-CE 4.49Å; F234-M266 HydrophobicContact CE2-CE 4.29Å; F234-T273 HydrophobicContact CD2-CG2 4.25Å; F234-A277 HydrophobicContact CD2-CB 4.23Å; F234-A277 HydrophobicContact CE2-CB 3.9Å; F234-A277 HydrophobicContact CZ-CB 4.27Å; F234-A281 HydrophobicContact CE2-CB 4.05Å; F234-A281 HydrophobicContact CZ-CB 4.11Å
235N94.1Very high96.8Very high34 Ų3448.3 Ų48.318%0.18224%0.237CC..THydrogen-bonded Turntrans-82.3140.2-178.1-55.3-88.9000110.1H232 L233 M237H232-N235 HydrophobicContact CB-CB 4.29Å; H232-N235 VanDerWaalsContact O-CB 3.25Å; H232-N235 WeakPolarHBondContact O-CB 3.21Å; H232-N235 PolarHBondContact O-N 3.28Å; H232-N235 PolarHBondContact O-ND2 2.88Å; L233-N235 VanDerWaalsContact C-N 3.26Å; L233-N235 PolarHBondContact O-N 3.35Å; L233-N235 PolarHBondContact O-ND2 2.72Å; N235-M237 VanDerWaalsContact O-CE 3.24Å; N235-M237 WeakPolarHBondContact O-CE 3.25Å; N235-M237 PolarHBondContact O-N 3.19Å
236A94.4Very high96.8Very high28 Ų2845.4 Ų45.423%0.23122%0.224CC..THydrogen-bonded Turntrans48.839.5177.700000114.9K151 H211 S212K151-A236 WeakPolarHBondContact CB-O 3.32Å; K151-A236 WeakPolarHBondContact O-CB 3.38Å; H211-A236 CarbonylContact C-O 3.6Å; H211-A236 WeakPolarHBondContact CA-O 3.36Å; H211-A236 HydrophobicContact CB-CB 4.49Å; H211-A236 VanDerWaalsContact CE1-CB 3.49Å; H211-A236 WeakPolarHBondContact CE1-CB 3.5Å; H211-A236 PolarHBondContact N-O 3.44Å; H211-A236 WeakPolarHBondContact ND1-CB 3.27Å; S212-A236 PolarHBondContact N-O 2.88Å; S212-A236 VanDerWaalsContact N-O 3.09Å
237M96.3Very high96.9Very high7 Ų745.5 Ų45.53%0.03422%0.224CC..BIsolated β-bridgetrans-136.9172.8174.859-171.975.100111.7K151 S212 I230 L233 F234 N235 I247 V248K151-M237 VanDerWaalsContact CE-O 3.27Å; K151-M237 WeakPolarHBondContact CE-O 3.42Å; K151-M237 PolarHBondContact NZ-O 3.49Å; S212-M237 WeakPolarHBondContact O-CA 3.16Å; I230-M237 HydrophobicContact CG2-CE 3.97Å; L233-M237 HydrophobicContact CD1-CE 4.5Å; L233-M237 HydrophobicContact CD1-SD 4.13Å; F234-M237 PolarHBondContact N-SD 3.38Å; N235-M237 VanDerWaalsContact O-CE 3.24Å; N235-M237 WeakPolarHBondContact O-CE 3.25Å; N235-M237 PolarHBondContact O-N 3.19Å; M237-I247 HydrophobicContact SD-CG2 4.45Å; M237-V248 HydrophobicContact SD-CG2 3.92Å
238L96.8Very high96.9Very high61 Ų6146.1 Ų46.132%0.31923%0.228SC..PPolyproline II helixtrans-62.1139.9170.6-68.7-179.3000110.5V213V213-L238 HydrophobicContact CB-CD2 4.23Å; V213-L238 HydrophobicContact CB-CG 4.32Å; V213-L238 HydrophobicContact CG1-CD2 4.19Å; V213-L238 VanDerWaalsContact O-CD1 3.28Å; V213-L238 WeakPolarHBondContact O-CD1 3.37Å
239P95.2Very high96.9Very high99 Ų9945.3 Ų45.364%0.64322%0.223SC*.PPolyproline II helixtrans-60.8147.9169.7-18.831.5000110.7H241P239-H241 PolarHBondContact O-N 3.43Å
240F94.3Very high96.8Very high132 Ų13245.5 Ų45.558%0.57922%0.224SC*.PPolyproline II helixtrans-57.7130.2172.6176.6-88.1000110.9P245 V248F240-P245 HydrophobicContact CD2-CB 3.59Å; F240-P245 HydrophobicContact CE2-CB 3.43Å; F240-P245 VanDerWaalsContact CE2-CB 3.43Å; F240-P245 HydrophobicContact CZ-CB 4.36Å; F240-V248 HydrophobicContact CD2-CB 4.39Å; F240-V248 HydrophobicContact CD2-CG1 4.06Å
241H96.8Very high96.8Very high75 Ų7546.2 Ų46.235%0.34723%0.228SC..BIsolated β-bridgetrans-132.6137171.9-176.7-85.9000110.3P239 R243 D244 P245P239-H241 PolarHBondContact O-N 3.43Å; H241-R243 VanDerWaalsContact C-N 3.27Å; H241-R243 PolarHBondContact ND1-N 3.09Å; H241-R243 PolarHBondContact O-N 2.8Å; H241-R243 VanDerWaalsContact O-N 3.13Å; H241-D244 CarbonylContact O-C 2.94Å; H241-D244 PolarHBondContact O-N 3.16Å; H241-P245 WeakPolarHBondContact O-CA 3.5Å; H241-P245 VanDerWaalsContact O-N 3.14Å
242H95.6Very high96.6Very high135 Ų13551.1 Ų51.163%0.62526%0.258SS*.THydrogen-bonded Turntrans-60.8-26.5-171.961.4-78.6000115.4
243R96.6Very high96.6Very high197 Ų19751.8 Ų51.874%0.74326%0.263SS*.THydrogen-bonded Turntrans-85-25.2175.4-69.2-169.5-71.5-92.94.3114H241H241-R243 VanDerWaalsContact C-N 3.27Å; H241-R243 PolarHBondContact ND1-N 3.09Å; H241-R243 PolarHBondContact O-N 2.8Å; H241-R243 VanDerWaalsContact O-N 3.13Å
244D97.1Very high96.4Very high63 Ų6358.4 Ų58.434%0.33730%0.298SS..BIsolated β-bridgetrans-153.699.4178.9-177.5-4.9000107N215 L216 H241 G246N215-D244 WeakPolarHBondContact CB-OD2 3.4Å; L216-D244 PolarHBondContact N-OD1 3.22Å; H241-D244 CarbonylContact O-C 2.94Å; H241-D244 PolarHBondContact O-N 3.16Å; D244-G246 PolarHBondContact O-N 3.33Å; D244-G246 PolarHBondContact OD1-N 2.93Å
245P97.1Very high96.4Very high22 Ų2260.1 Ų60.114%0.14331%0.307CS..  trans-76.2-1.1-174.833.2-38.1000112.6L216 F240 H241 V248 G249L216-P245 HydrophobicContact CB-CG 4.15Å; L216-P245 HydrophobicContact CD2-CG 3.7Å; L216-P245 HydrophobicContact CG-CG 4.34Å; F240-P245 HydrophobicContact CD2-CB 3.59Å; F240-P245 HydrophobicContact CE2-CB 3.43Å; F240-P245 VanDerWaalsContact CE2-CB 3.43Å; F240-P245 HydrophobicContact CZ-CB 4.36Å; H241-P245 WeakPolarHBondContact O-CA 3.5Å; H241-P245 VanDerWaalsContact O-N 3.14Å; P245-V248 PolarHBondContact O-N 2.9Å; P245-G249 PolarHBondContact O-N 3.38Å
246G98.1Very high96.4Very high1 Ų160 Ų601%0.0131%0.306CS..G310 helixtrans58.9-150.2-175.900000112.3D244 V248 G249D244-G246 PolarHBondContact O-N 3.33Å; D244-G246 PolarHBondContact OD1-N 2.93Å; G246-V248 PolarHBondContact O-N 2.88Å; G246-G249 PolarHBondContact O-N 3.19Å
247I98.3Very high96.1Very high5 Ų561.3 Ų61.33%0.02631%0.313CS..G310 helixtrans-57-33.6176.6-69.1174.4000112.5L209 S212 A214 A219 I230 M237 G249 L250L209-I247 HydrophobicContact CB-CD1 4.19Å; S212-I247 WeakPolarHBondContact OG-CD1 3.29Å; A214-I247 HydrophobicContact CB-CD1 4.33Å; A214-I247 HydrophobicContact CB-CG1 4.29Å; A219-I247 HydrophobicContact CB-CG1 3.97Å; I230-I247 HydrophobicContact CB-CG2 4.41Å; I230-I247 HydrophobicContact CD1-CG2 3.9Å; I230-I247 HydrophobicContact CG1-CG2 3.94Å; I230-I247 HydrophobicContact CG2-CG2 3.61Å; M237-I247 HydrophobicContact SD-CG2 4.45Å; I247-G249 PolarHBondContact O-N 2.89Å; I247-L250 HydrophobicContact CG2-CD1 4.38Å; I247-L250 VanDerWaalsContact O-CB 3.3Å; I247-L250 WeakPolarHBondContact O-CB 3.39Å; I247-L250 WeakPolarHBondContact O-CG 3.49Å; I247-L250 PolarHBondContact O-N 3.32Å
248V98.1Very high95.7Very high14 Ų1466.2 Ų66.29%0.08535%0.354CS..G310 helixtrans-60.6-27.9178.3-179.30000111.5L233 F234 M237 F240 P245 G246 L250 L251L233-V248 HydrophobicContact CD1-CG2 4.19Å; F234-V248 HydrophobicContact CD1-CG2 4.03Å; F234-V248 HydrophobicContact CE1-CG1 3.88Å; F234-V248 HydrophobicContact CE1-CG2 4.13Å; M237-V248 HydrophobicContact SD-CG2 3.92Å; F240-V248 HydrophobicContact CD2-CB 4.39Å; F240-V248 HydrophobicContact CD2-CG1 4.06Å; P245-V248 PolarHBondContact O-N 2.9Å; G246-V248 PolarHBondContact O-N 2.88Å; V248-L250 PolarHBondContact O-N 3.16Å; V248-L251 WeakPolarHBondContact O-CD1 3.38Å; V248-L251 PolarHBondContact O-N 3Å
249G97.8Very high95.2Very high5 Ų567.7 Ų67.75%0.05238%0.384CS..G310 helixtrans-64.8-19.8176.700000114.6P245 G246 I247 L251 T252 S253P245-G249 PolarHBondContact O-N 3.38Å; G246-G249 PolarHBondContact O-N 3.19Å; I247-G249 PolarHBondContact O-N 2.89Å; G249-L251 PolarHBondContact O-N 3.5Å; G249-L251 VanDerWaalsContact O-N 3.15Å; G249-T252 PolarHBondContact O-N 3.08Å; G249-T252 VanDerWaalsContact O-N 3.13Å; G249-S253 PolarHBondContact O-N 3.32Å; G249-S253 VanDerWaalsContact O-N 3.08Å
250L98Very high95Very high4 Ų465.9 Ų65.92%0.02136%0.364CS..G310 helixtrans-60.6-24.5177.7-70-179.9000113.2L209 L216 A219 E220 V223 I230 I247 V248 T252 I256 V262L209-L250 HydrophobicContact CD1-CD1 3.7Å; L216-L250 HydrophobicContact CD1-CD2 4.23Å; A219-L250 HydrophobicContact CB-CD1 3.83Å; A219-L250 HydrophobicContact CB-CD2 4Å; A219-L250 HydrophobicContact CB-CG 3.92Å; E220-L250 HydrophobicContact CG-CD2 3.88Å; V223-L250 HydrophobicContact CG2-CD1 4.02Å; V223-L250 HydrophobicContact CG2-CD2 4.04Å; I230-L250 HydrophobicContact CD1-CB 4.02Å; I230-L250 HydrophobicContact CD1-CD1 4.05Å; I230-L250 HydrophobicContact CG1-CD1 4.26Å; I247-L250 HydrophobicContact CG2-CD1 4.38Å; I247-L250 VanDerWaalsContact O-CB 3.3Å; I247-L250 WeakPolarHBondContact O-CB 3.39Å; I247-L250 WeakPolarHBondContact O-CG 3.49Å; I247-L250 PolarHBondContact O-N 3.32Å; V248-L250 PolarHBondContact O-N 3.16Å; L250-T252 PolarHBondContact O-N 3.42Å; L250-I256 HydrophobicContact CD2-CD1 3.76Å; L250-V262 HydrophobicContact CB-CG1 4.34Å; L250-V262 HydrophobicContact CD1-CG1 4.36Å
251L97.4Very high95.1Very high15 Ų1562.1 Ų62.18%0.07935%0.352CS..G310 helixtrans-60.2-26.5178.1-83.563.1000112.3I230 L233 V248 G249 Y264 A281 A284 H285I230-L251 HydrophobicContact CD1-CD1 3.78Å; L233-L251 HydrophobicContact CD1-CD1 3.87Å; L233-L251 HydrophobicContact CD2-CD1 4.03Å; L233-L251 HydrophobicContact CD2-CD2 3.66Å; L233-L251 HydrophobicContact CD2-CG 4.45Å; V248-L251 WeakPolarHBondContact O-CD1 3.38Å; V248-L251 PolarHBondContact O-N 3Å; G249-L251 PolarHBondContact O-N 3.5Å; G249-L251 VanDerWaalsContact O-N 3.15Å; L251-Y264 HydrophobicContact CD1-CD1 4.35Å; L251-Y264 HydrophobicContact CD2-CE1 4.43Å; L251-Y264 HydrophobicContact CG-CD1 4.23Å; L251-Y264 HydrophobicContact CG-CE1 4.23Å; L251-A281 HydrophobicContact CD2-CB 4.05Å; L251-A284 HydrophobicContact CB-CB 4.37Å; L251-A284 HydrophobicContact CD2-CB 4.34Å; L251-H285 HydrophobicContact CB-CB 4.25Å; L251-H285 HydrophobicContact CG-CB 4.35Å
252T95.9Very high95.1Very high103 Ų10358.8 Ų58.863%0.63234%0.337SS*.G310 helixtrans-135.518.4-176.665.30000112.6G249 L250 A284G249-T252 PolarHBondContact O-N 3.08Å; G249-T252 VanDerWaalsContact O-N 3.13Å; L250-T252 PolarHBondContact O-N 3.42Å; T252-A284 HydrophobicContact CG2-CB 3.87Å
253S96.3Very high95.3Very high20 Ų2053.1 Ų53.114%0.1431%0.311CS..  trans-69.6134.5-178.7167.20000110.7E220 G249 Q255E220-S253 WeakPolarHBondContact OE1-CB 3.49Å; E220-S253 PolarHBondContact OE1-OG 3.41Å; G249-S253 PolarHBondContact O-N 3.32Å; G249-S253 VanDerWaalsContact O-N 3.08Å; S253-Q255 VanDerWaalsContact C-N 3.3Å; S253-Q255 PolarHBondContact OG-N 3.18Å; S253-Q255 VanDerWaalsContact OG-N 3.12Å
254D94Very high95.4Very high139 Ų13943.7 Ų43.774%0.74328%0.275SS*.THydrogen-bonded Turntrans-86.3-3.2174.366.9-10.9000112.8
255Q95.9Very high95.5Very high104 Ų10440.7 Ų40.749%0.48626%0.259SS..THydrogen-bonded Turntrans-90.2-3.1176.6-55.5-54.8-54.700112.9E220 S253E220-Q255 HydrophobicContact CB-CB 4.42Å; E220-Q255 HydrophobicContact CG-CB 4.11Å; S253-Q255 VanDerWaalsContact C-N 3.3Å; S253-Q255 PolarHBondContact OG-N 3.18Å; S253-Q255 VanDerWaalsContact OG-N 3.12Å
256I93.9Very high95.5Very high31 Ų3139.7 Ų39.716%0.15925%0.253CS..SBendtrans-71.4129.8176.5-52-51.8000109.4V223 L250 A258 R260 V262V223-I256 HydrophobicContact CB-CD1 4.2Å; V223-I256 HydrophobicContact CG1-CD1 3.95Å; V223-I256 HydrophobicContact CG1-CG2 4.17Å; V223-I256 HydrophobicContact CG2-CD1 4.31Å; L250-I256 HydrophobicContact CD2-CD1 3.76Å; I256-A258 PolarHBondContact O-N 3.17Å; I256-R260 HydrophobicContact CG2-CB 4.21Å; I256-V262 HydrophobicContact CD1-CG2 4.15Å; I256-V262 HydrophobicContact CG1-CG2 4.38Å; I256-V262 HydrophobicContact CG2-CG2 4.03Å
257P89.3Confident95.5Very high56 Ų5639.7 Ų39.736%0.36425%0.252SS..PPolyproline II helixtrans-54.7137.2178.8-26.834.5000112.7G259 R260P257-G259 PolarHBondContact O-N 3.41Å; P257-R260 HydrophobicContact CB-CB 4.3Å; P257-R260 WeakPolarHBondContact O-CB 3.25Å; P257-R260 PolarHBondContact O-N 2.85Å
258A88.4Confident95.4Very high110 Ų11039.4 Ų39.491%0.90925%0.251SS*.THydrogen-bonded Turntrans-54.6137.4177.500000111.7I256 R260I256-A258 PolarHBondContact O-N 3.17Å; A258-R260 PolarHBondContact O-N 3.36Å
259G86.3Confident95.1Very high92 Ų9240 Ų4095%0.94825%0.254SS*.THydrogen-bonded Turntrans77.6-0.5-17700000114.7P257P257-G259 PolarHBondContact O-N 3.41Å
260R90.4Very high94.5Very high60 Ų6041.4 Ų41.423%0.22627%0.268CS..  trans-97.9125.6173.5-168.1170.9-175.8123.115.8110.3V223 G226 A227 I256 P257 A258V223-R260 PolarHBondContact O-NH1 3Å; G226-R260 PolarHBondContact O-NH2 3.02Å; A227-R260 PolarHBondContact O-NE 3.32Å; A227-R260 PolarHBondContact O-NH2 3.35Å; I256-R260 HydrophobicContact CG2-CB 4.21Å; P257-R260 HydrophobicContact CB-CB 4.3Å; P257-R260 WeakPolarHBondContact O-CB 3.25Å; P257-R260 PolarHBondContact O-N 2.85Å; A258-R260 PolarHBondContact O-N 3.36Å
261T95.5Very high94Very high53 Ų5343.1 Ų43.133%0.32528%0.277SS..  trans-96.7134.5171.5-57.50000108.9F263T261-F263 HydrophobicContact CG2-CD1 4.13Å; T261-F263 HydrophobicContact CG2-CD2 4.12Å; T261-F263 HydrophobicContact CG2-CE1 3.85Å; T261-F263 HydrophobicContact CG2-CE2 3.85Å; T261-F263 HydrophobicContact CG2-CG 4.24Å; T261-F263 HydrophobicContact CG2-CZ 3.69Å
262V97.8Very high93.5Very high5 Ų543.7 Ų43.73%0.0328%0.279CS..  trans-99.4104.8168.2179.40000107V223 I230 L250 I256 H285V223-V262 HydrophobicContact CG1-CG2 3.91Å; V223-V262 HydrophobicContact CG2-CG2 3.95Å; I230-V262 HydrophobicContact CD1-CG1 4.07Å; I230-V262 HydrophobicContact CG1-CG1 4.09Å; L250-V262 HydrophobicContact CB-CG1 4.34Å; L250-V262 HydrophobicContact CD1-CG1 4.36Å; I256-V262 HydrophobicContact CD1-CG2 4.15Å; I256-V262 HydrophobicContact CG1-CG2 4.38Å; I256-V262 HydrophobicContact CG2-CG2 4.03Å; V262-H285 PolarHBondContact O-CD2 3.28Å; V262-H285 VanDerWaalsContact O-CD2 3.28Å; V262-H285 PolarHBondContact O-NE2 3.18Å
263F98.8Very high93.2Very high16 Ų1638.9 Ų38.97%0.0725%0.25CC..EExtended strand (participates in β ladder)trans-77.1160.9176.2-63.7-85.8000110.2S228 F229 I230 T261 S287 G288 V290 H360 R363 L364S228-F263 PolarHBondContact O-N 2.88Å; F229-F263 CarbonylContact C-O 3.47Å; F229-F263 VanDerWaalsContact CA-O 3.26Å; F229-F263 WeakPolarHBondContact CA-O 3.35Å; F229-F263 VanDerWaalsContact CD2-C 3.41Å; F229-F263 HydrophobicContact CD2-CB 3.56Å; F229-F263 WeakPolarHBondContact CD2-O 3.2Å; F229-F263 HydrophobicContact CE2-CB 3.95Å; I230-F263 PolarHBondContact N-O 2.97Å; T261-F263 HydrophobicContact CG2-CD1 4.13Å; T261-F263 HydrophobicContact CG2-CD2 4.12Å; T261-F263 HydrophobicContact CG2-CE1 3.85Å; T261-F263 HydrophobicContact CG2-CE2 3.85Å; T261-F263 HydrophobicContact CG2-CG 4.24Å; T261-F263 HydrophobicContact CG2-CZ 3.69Å; F263-S287 WeakPolarHBondContact CE1-O 3.07Å; F263-G288 CarbonylContact C-O 3.52Å; F263-G288 WeakPolarHBondContact CA-O 3.36Å; F263-G288 WeakPolarHBondContact CB-O 3.35Å; F263-V290 HydrophobicContact CB-CG2 4.01Å; F263-V290 HydrophobicContact CD1-CG2 4.02Å; F263-V290 HydrophobicContact CG-CG2 4.36Å; F263-H360 HydrophobicContact CD1-CB 4.35Å; F263-H360 HydrophobicContact CE1-CB 4.28Å; F263-R363 HydrophobicContact CE1-CB 4.18Å; F263-R363 HydrophobicContact CE2-CB 4.43Å; F263-R363 HydrophobicContact CZ-CB 3.63Å; F263-L364 HydrophobicContact CB-CB 4.46Å; F263-L364 HydrophobicContact CB-CD1 4.13Å; F263-L364 HydrophobicContact CD2-CB 3.95Å; F263-L364 HydrophobicContact CD2-CD1 3.94Å; F263-L364 HydrophobicContact CE2-CB 4.33Å; F263-L364 HydrophobicContact CG-CB 4.09Å; F263-L364 HydrophobicContact CG-CD1 4.32Å
264Y98.9Very high93.1Very high0 Ų042.9 Ų42.90%027%0.27CS..EExtended strand (participates in β ladder)trans-147.3134.5176.759.1-85.5000111.5I230 L233 L251 M266 A281 H285 G288 L289 V290I230-Y264 WeakPolarHBondContact O-CA 3.33Å; L233-Y264 HydrophobicContact CB-CD2 4.13Å; L233-Y264 HydrophobicContact CD2-CD2 3.61Å; L233-Y264 HydrophobicContact CD2-CE2 4Å; L233-Y264 HydrophobicContact CD2-CG 4.18Å; L233-Y264 HydrophobicContact CG-CD2 4.44Å; L251-Y264 HydrophobicContact CD1-CD1 4.35Å; L251-Y264 HydrophobicContact CD2-CE1 4.43Å; L251-Y264 HydrophobicContact CG-CD1 4.23Å; L251-Y264 HydrophobicContact CG-CE1 4.23Å; Y264-M266 HydrophobicContact CD2-CG 3.67Å; Y264-M266 HydrophobicContact CD2-SD 3.79Å; Y264-M266 HydrophobicContact CE2-CG 3.6Å; Y264-M266 HydrophobicContact CE2-SD 3.85Å; Y264-A281 HydrophobicContact CE2-CB 3.88Å; Y264-A281 VanDerWaalsContact OH-C 3.27Å; Y264-A281 PolarHBondContact OH-O 2.91Å; Y264-H285 HydrophobicContact CE1-CB 3.93Å; Y264-H285 VanDerWaalsContact CE1-O 3.23Å; Y264-H285 WeakPolarHBondContact CE1-O 3.24Å; Y264-H285 PolarHBondContact OH-O 3.11Å; Y264-G288 WeakPolarHBondContact CD1-O 3.2Å; Y264-G288 VanDerWaalsContact CE1-C 3.45Å; Y264-G288 PolarHBondContact N-O 2.95Å; Y264-L289 HydrophobicContact CE1-CB 4.33Å; Y264-L289 HydrophobicContact CE2-CB 3.94Å; Y264-L289 HydrophobicContact CE2-CD1 3.92Å; Y264-L289 HydrophobicContact CE2-CG 3.75Å; Y264-L289 WeakPolarHBondContact OH-CB 3.45Å; Y264-V290 PolarHBondContact O-N 2.84Å
265G98.7Very high93.1Very high0 Ų038.3 Ų38.30%025%0.247CC..EExtended strand (participates in β ladder)trans-73.9134.8177.200000110.8F229 I230 H232 L233 V290F229-G265 VanDerWaalsContact CE2-N 3.27Å; F229-G265 VanDerWaalsContact CZ-CA 3.5Å; I230-G265 PolarHBondContact O-N 2.83Å; H232-G265 CarbonylContact C-O 3.58Å; H232-G265 VanDerWaalsContact CA-O 3.31Å; H232-G265 WeakPolarHBondContact CA-O 3.25Å; L233-G265 PolarHBondContact N-O 3.41Å; G265-V290 CarbonylContact C-O 3.58Å; G265-V290 VanDerWaalsContact CA-O 3.3Å; G265-V290 WeakPolarHBondContact CA-O 3.32Å
266M98.1Very high93.1Very high0 Ų035.2 Ų35.20%024%0.239CC..EExtended strand (participates in β ladder)trans-125.9119.9173.9-68.9-62.9-59.400110.2L233 F234 Y264 A268 T273 L278 A281 L289 V290 L291 V292L233-M266 HydrophobicContact CB-SD 3.72Å; L233-M266 HydrophobicContact CD2-SD 3.97Å; L233-M266 HydrophobicContact CG-SD 4.4Å; F234-M266 HydrophobicContact CD2-CE 4.49Å; F234-M266 HydrophobicContact CE2-CE 4.29Å; Y264-M266 HydrophobicContact CD2-CG 3.67Å; Y264-M266 HydrophobicContact CD2-SD 3.79Å; Y264-M266 HydrophobicContact CE2-CG 3.6Å; Y264-M266 HydrophobicContact CE2-SD 3.85Å; M266-A268 PolarHBondContact O-N 3.06Å; M266-T273 HydrophobicContact CE-CG2 3.61Å; M266-L278 HydrophobicContact CE-CB 4.17Å; M266-L278 HydrophobicContact CE-CG 4.23Å; M266-A281 HydrophobicContact CE-CB 4.47Å; M266-A281 HydrophobicContact SD-CB 4.28Å; M266-L289 HydrophobicContact CB-CD2 4.25Å; M266-L289 HydrophobicContact CB-CG 4.34Å; M266-L289 HydrophobicContact CG-CD1 3.93Å; M266-L289 HydrophobicContact CG-CD2 4.21Å; M266-L289 HydrophobicContact CG-CG 3.75Å; M266-V290 PolarHBondContact N-O 3.01Å; M266-L291 HydrophobicContact CB-CD2 4.47Å; M266-V292 PolarHBondContact O-N 2.97Å
267I97.3Very high93.2Very high1 Ų135 Ų351%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-83.5102.3168.3-54.2165000107.4H232 D269 H272 T273 V292 D294H232-I267 HydrophobicContact CB-CD1 3.75Å; H232-I267 HydrophobicContact CB-CG1 4.14Å; I267-D269 HydrophobicContact CG2-CB 4.31Å; I267-D269 PolarHBondContact O-N 3.49Å; I267-H272 HydrophobicContact CB-CB 4Å; I267-H272 HydrophobicContact CD1-CB 4.4Å; I267-H272 HydrophobicContact CG2-CB 3.94Å; I267-T273 PolarHBondContact O-OG1 2.79Å; I267-V292 HydrophobicContact CG1-CG2 3.99Å; I267-D294 HydrophobicContact CD1-CB 3.47Å; I267-D294 VanDerWaalsContact CD1-CB 3.47Å; I267-D294 HydrophobicContact CG1-CB 3.81Å
268A95.9Very high93.6Very high0 Ų032.4 Ų32.40%023%0.225CC..  trans-99.356.1-174.700000112.1M266 L278 L291 C338 H341 F342M266-A268 PolarHBondContact O-N 3.06Å; A268-L278 HydrophobicContact CB-CD1 3.94Å; A268-L291 HydrophobicContact CB-CD2 3.72Å; A268-C338 HydrophobicContact CB-CB 4.3Å; A268-H341 VanDerWaalsContact O-CB 3.23Å; A268-H341 WeakPolarHBondContact O-CB 3.31Å; A268-H341 PolarHBondContact O-CD2 2.99Å; A268-F342 HydrophobicContact CB-CB 3.92Å
269D91.8Very high94Very high27 Ų2730.9 Ų30.914%0.14420%0.196CC..SBendtrans-101.5-3.3-177.867.2-6.5000114.1I267 I271 H272 A333I267-D269 HydrophobicContact CG2-CB 4.31Å; I267-D269 PolarHBondContact O-N 3.49Å; D269-I271 VanDerWaalsContact C-N 3.26Å; D269-I271 PolarHBondContact O-N 3.07Å; D269-I271 WeakPolarHBondContact OD1-CA 3.3Å; D269-I271 PolarHBondContact OD1-N 2.94Å; D269-H272 PolarHBondContact OD1-N 3.21Å; D269-H272 IonicContact OD1-ND1 3.39Å; D269-H272 IonicContact OD2-CE1 2.81Å; D269-H272 IonicContact OD2-CG 3.7Å; D269-H272 IonicContact OD2-ND1 3.06Å; D269-H272 PolarHBondContact OD2-ND1 2.86Å; D269-A333 HydrophobicContact CB-CB 3.81Å
270G86.6Confident94.5Very high34 Ų3431.8 Ų31.835%0.35118%0.178SC..SBendtrans78.26-175.900000114.6H341G270-H341 VanDerWaalsContact CA-CE1 3.49Å; G270-H341 WeakPolarHBondContact CA-CE1 3.37Å; G270-H341 VanDerWaalsContact CA-NE2 3.27Å; G270-H341 WeakPolarHBondContact CA-NE2 3.43Å; G270-H341 PolarHBondContact N-NE2 3.39Å
271I86.8Confident94.9Very high40 Ų4029 Ų2921%0.20517%0.168CC..SBendtrans-118.3-57-175.9-63.8168.3000110.1D269 T273 L318 H319 L328D269-I271 VanDerWaalsContact C-N 3.26Å; D269-I271 PolarHBondContact O-N 3.07Å; D269-I271 WeakPolarHBondContact OD1-CA 3.3Å; D269-I271 PolarHBondContact OD1-N 2.94Å; I271-T273 VanDerWaalsContact C-N 3.34Å; I271-L318 HydrophobicContact CD1-CB 3.35Å; I271-L318 HydrophobicContact CD1-CD1 4.42Å; I271-L318 WeakPolarHBondContact CD1-O 3.37Å; I271-H319 WeakPolarHBondContact CG2-CD2 3.48Å; I271-L328 HydrophobicContact CG2-CD1 4.33Å; I271-L328 HydrophobicContact CG2-CD2 4.39Å
272H86.9Confident95Very high26 Ų2627.6 Ų27.612%0.1216%0.157CC..SBendtrans-67.2-39.8-179.7-76.180.9000111.3I267 D269 G330I267-H272 HydrophobicContact CB-CB 4Å; I267-H272 HydrophobicContact CD1-CB 4.4Å; I267-H272 HydrophobicContact CG2-CB 3.94Å; D269-H272 PolarHBondContact OD1-N 3.21Å; D269-H272 IonicContact OD1-ND1 3.39Å; D269-H272 IonicContact OD2-CE1 2.81Å; D269-H272 IonicContact OD2-CG 3.7Å; D269-H272 IonicContact OD2-ND1 3.06Å; D269-H272 PolarHBondContact OD2-ND1 2.86Å; H272-G330 PolarHBondContact CE1-O 3.45Å; H272-G330 PolarHBondContact NE2-O 3.31Å
273T89Confident95Very high3 Ų335.5 Ų35.52%0.01819%0.187CC..SBendtrans-118.7121.7-177.7-47.90000110.6F234 M266 I267 I271 A277 L278F234-T273 HydrophobicContact CD2-CG2 4.25Å; M266-T273 HydrophobicContact CE-CG2 3.61Å; I267-T273 PolarHBondContact O-OG1 2.79Å; I271-T273 VanDerWaalsContact C-N 3.34Å; T273-A277 HydrophobicContact CG2-CB 4.06Å; T273-L278 HydrophobicContact CG2-CB 3.85Å
274N94.1Very high94.9Very high104 Ų10436.8 Ų36.856%0.55620%0.2SC*.  trans-60.4135.5169-174.6-74.7000110.1A276 A277 L278N274-A276 PolarHBondContact O-N 2.97Å; N274-A276 VanDerWaalsContact OD1-CB 3.29Å; N274-A276 WeakPolarHBondContact OD1-CB 3.49Å; N274-A276 PolarHBondContact OD1-N 3.01Å; N274-A277 HydrophobicContact CB-CB 4.46Å; N274-A277 WeakPolarHBondContact O-CB 3.23Å; N274-A277 PolarHBondContact O-N 3.05Å; N274-L278 PolarHBondContact O-N 3.26Å
275P95.1Very high94.9Very high42 Ų4238.2 Ų38.227%0.27321%0.207SC..Hα-helixtrans-52-31.4179.2-31.937.2000115.1R279 A345P275-R279 WeakPolarHBondContact O-CG 3.27Å; P275-R279 PolarHBondContact O-N 3.47Å; P275-R279 PolarHBondContact O-NH1 3.39Å; P275-A345 HydrophobicContact CB-CB 4.04Å; P275-A345 HydrophobicContact CG-CB 4.47Å
276A96.3Very high94.8Very high39 Ų3941.1 Ų41.132%0.32223%0.226SC..Hα-helixtrans-68.7-41.5175.400000112.5N274 R279 I280N274-A276 PolarHBondContact O-N 2.97Å; N274-A276 VanDerWaalsContact OD1-CB 3.29Å; N274-A276 WeakPolarHBondContact OD1-CB 3.49Å; N274-A276 PolarHBondContact OD1-N 3.01Å; A276-R279 PolarHBondContact O-N 3.05Å; A276-I280 VanDerWaalsContact O-CG1 3.29Å; A276-I280 WeakPolarHBondContact O-CG1 3.27Å; A276-I280 PolarHBondContact O-N 3.14Å
277A95.9Very high94.7Very high27 Ų2743.7 Ų43.722%0.22324%0.244CC..Hα-helixtrans-65.8-41.9176.200000111.2F234 T273 N274 R279 I280 A281F234-A277 HydrophobicContact CD2-CB 4.23Å; F234-A277 HydrophobicContact CE2-CB 3.9Å; F234-A277 HydrophobicContact CZ-CB 4.27Å; T273-A277 HydrophobicContact CG2-CB 4.06Å; N274-A277 HydrophobicContact CB-CB 4.46Å; N274-A277 WeakPolarHBondContact O-CB 3.23Å; N274-A277 PolarHBondContact O-N 3.05Å; A277-R279 VanDerWaalsContact C-N 3.35Å; A277-R279 PolarHBondContact O-N 3.19Å; A277-I280 WeakPolarHBondContact O-CB 3.45Å; A277-I280 PolarHBondContact O-N 2.79Å; A277-I280 VanDerWaalsContact O-N 3.14Å; A277-A281 PolarHBondContact O-N 3.48Å
278L96.4Very high94.7Very high1 Ų143.7 Ų43.71%0.00524%0.244CC..Hα-helixtrans-58.2-44.8174-178.2158.5000111.7M266 A268 T273 N274 I280 A281 H282 F342 A345 A346M266-L278 HydrophobicContact CE-CB 4.17Å; M266-L278 HydrophobicContact CE-CG 4.23Å; A268-L278 HydrophobicContact CB-CD1 3.94Å; T273-L278 HydrophobicContact CG2-CB 3.85Å; N274-L278 PolarHBondContact O-N 3.26Å; L278-I280 PolarHBondContact O-N 3.47Å; L278-A281 PolarHBondContact O-N 3.35Å; L278-H282 WeakPolarHBondContact O-CB 3.38Å; L278-H282 PolarHBondContact O-N 3.29Å; L278-F342 HydrophobicContact CD1-CD2 4.1Å; L278-F342 HydrophobicContact CD2-CD2 3.58Å; L278-F342 HydrophobicContact CD2-CE2 3.77Å; L278-F342 HydrophobicContact CG-CD2 4.04Å; L278-F342 HydrophobicContact CG-CE2 4.38Å; L278-A345 HydrophobicContact CD1-CB 4.28Å; L278-A345 HydrophobicContact CD2-CB 4.18Å; L278-A346 HydrophobicContact CD2-CB 3.61Å
279R97.4Very high94.8Very high78 Ų7843.7 Ų43.729%0.29424%0.244SC..Hα-helixtrans-63.1-38.6174-79.9-174.5-58.1-89.93.9113.5P275 A276 A277 R283 A345P275-R279 WeakPolarHBondContact O-CG 3.27Å; P275-R279 PolarHBondContact O-N 3.47Å; P275-R279 PolarHBondContact O-NH1 3.39Å; A276-R279 PolarHBondContact O-N 3.05Å; A277-R279 VanDerWaalsContact C-N 3.35Å; A277-R279 PolarHBondContact O-N 3.19Å; R279-R283 WeakPolarHBondContact O-CB 3.49Å; R279-R283 VanDerWaalsContact O-CG 3.25Å; R279-R283 WeakPolarHBondContact O-CG 3.45Å; R279-R283 PolarHBondContact O-N 3.49Å; R279-A345 VanDerWaalsContact CD-O 3.28Å; R279-A345 WeakPolarHBondContact CD-O 3.15Å; R279-A345 WeakPolarHBondContact CG-O 3.44Å; R279-A345 PolarHBondContact NH1-O 2.97Å
280I97.4Very high95.2Very high112 Ų11242.4 Ų42.457%0.57424%0.237SC*.Hα-helixtrans-62.9-51.5177.8-72.1163.9000109.4A276 A277 L278 R283 A284A276-I280 VanDerWaalsContact O-CG1 3.29Å; A276-I280 WeakPolarHBondContact O-CG1 3.27Å; A276-I280 PolarHBondContact O-N 3.14Å; A277-I280 WeakPolarHBondContact O-CB 3.45Å; A277-I280 PolarHBondContact O-N 2.79Å; A277-I280 VanDerWaalsContact O-N 3.14Å; L278-I280 PolarHBondContact O-N 3.47Å; I280-R283 PolarHBondContact O-N 2.98Å; I280-A284 WeakPolarHBondContact O-CB 3.48Å; I280-A284 PolarHBondContact O-N 3.19Å
281A97.7Very high95.7Very high0 Ų040.8 Ų40.80%022%0.22CC..Hα-helixtrans-58.4-52.1179.200000111.7L233 F234 L251 Y264 M266 A277 L278 R283 A284 H285L233-A281 HydrophobicContact CD2-CB 3.71Å; F234-A281 HydrophobicContact CE2-CB 4.05Å; F234-A281 HydrophobicContact CZ-CB 4.11Å; L251-A281 HydrophobicContact CD2-CB 4.05Å; Y264-A281 HydrophobicContact CE2-CB 3.88Å; Y264-A281 VanDerWaalsContact OH-C 3.27Å; Y264-A281 PolarHBondContact OH-O 2.91Å; M266-A281 HydrophobicContact CE-CB 4.47Å; M266-A281 HydrophobicContact SD-CB 4.28Å; A277-A281 PolarHBondContact O-N 3.48Å; L278-A281 PolarHBondContact O-N 3.35Å; A281-R283 VanDerWaalsContact C-N 3.34Å; A281-R283 PolarHBondContact O-N 3.06Å; A281-A284 PolarHBondContact O-N 3.09Å; A281-A284 VanDerWaalsContact O-N 3.14Å; A281-H285 PolarHBondContact O-N 3.32Å
282H98.1Very high96.3Very high24 Ų2438.9 Ų38.911%0.11121%0.21CC..Hα-helixtrans-57.1-43.6179.1173.3-111.5000112.8L278 H285 P286 L289 F342L278-H282 WeakPolarHBondContact O-CB 3.38Å; L278-H282 PolarHBondContact O-N 3.29Å; H282-H285 CarbonylContact O-C 3.58Å; H282-P286 WeakPolarHBondContact O-CA 3.4Å; H282-P286 WeakPolarHBondContact O-CB 3.22Å; H282-P286 WeakPolarHBondContact O-CD 3.44Å; H282-L289 HydrophobicContact CB-CD1 3.95Å; H282-F342 HydrophobicContact CB-CE2 4.21Å; H282-F342 HydrophobicContact CB-CZ 4.42Å; H282-F342 AromaticContact CD2-CZ 3.61Å
283R97.9Very high96.9Very high171 Ų17137.7 Ų37.765%0.64521%0.205SC*.Hα-helixtrans-71.1-32.3179.2-73.3176.1-175.8138.70.7113R279 I280 A281R279-R283 WeakPolarHBondContact O-CB 3.49Å; R279-R283 VanDerWaalsContact O-CG 3.25Å; R279-R283 WeakPolarHBondContact O-CG 3.45Å; R279-R283 PolarHBondContact O-N 3.49Å; I280-R283 PolarHBondContact O-N 2.98Å; A281-R283 VanDerWaalsContact C-N 3.34Å; A281-R283 PolarHBondContact O-N 3.06Å
284A97.4Very high97.2Very high43 Ų4338.2 Ų38.236%0.35521%0.208SC..Hα-helixtrans-69-43.2177.600000111.1L251 T252 I280 A281L251-A284 HydrophobicContact CB-CB 4.37Å; L251-A284 HydrophobicContact CD2-CB 4.34Å; T252-A284 HydrophobicContact CG2-CB 3.87Å; I280-A284 WeakPolarHBondContact O-CB 3.48Å; I280-A284 PolarHBondContact O-N 3.19Å; A281-A284 PolarHBondContact O-N 3.09Å; A281-A284 VanDerWaalsContact O-N 3.14Å
285H97.6Very high97.3Very high31 Ų3133.2 Ų33.214%0.14418%0.181CC..  trans-149.780.2-178-169.821.5000112.4L251 V262 Y264 A281 H282 S287 G288L251-H285 HydrophobicContact CB-CB 4.25Å; L251-H285 HydrophobicContact CG-CB 4.35Å; V262-H285 PolarHBondContact O-CD2 3.28Å; V262-H285 VanDerWaalsContact O-CD2 3.28Å; V262-H285 PolarHBondContact O-NE2 3.18Å; Y264-H285 HydrophobicContact CE1-CB 3.93Å; Y264-H285 VanDerWaalsContact CE1-O 3.23Å; Y264-H285 WeakPolarHBondContact CE1-O 3.24Å; Y264-H285 PolarHBondContact OH-O 3.11Å; A281-H285 PolarHBondContact O-N 3.32Å; H282-H285 CarbonylContact O-C 3.58Å; H285-S287 PolarHBondContact CE1-OG 3.31Å; H285-S287 VanDerWaalsContact CE1-OG 3.3Å; H285-S287 PolarHBondContact ND1-OG 3.24Å; H285-S287 PolarHBondContact O-N 2.82Å; H285-G288 PolarHBondContact O-N 3.3Å
286P97.3Very high97.3Very high61 Ų6131.2 Ų31.240%0.39617%0.168SC..G310 helixtrans-67.5-39.9-173.123.2-32000113H282 G288 L289 H360H282-P286 WeakPolarHBondContact O-CA 3.4Å; H282-P286 WeakPolarHBondContact O-CB 3.22Å; H282-P286 WeakPolarHBondContact O-CD 3.44Å; P286-G288 PolarHBondContact O-N 3.38Å; P286-L289 PolarHBondContact O-N 3.02Å; P286-H360 PolarHBondContact O-CE1 3.44Å
287S95.4Very high97.1Very high54 Ų5429.7 Ų29.738%0.37816%0.155SC..G310 helixtrans-71.5-13-179.9550000114.5F263 H285F263-S287 WeakPolarHBondContact CE1-O 3.07Å; H285-S287 PolarHBondContact CE1-OG 3.31Å; H285-S287 VanDerWaalsContact CE1-OG 3.3Å; H285-S287 PolarHBondContact ND1-OG 3.24Å; H285-S287 PolarHBondContact O-N 2.82Å
288G97.8Very high96.9Very high0 Ų028.5 Ų28.50%015%0.145CC..G310 helixtrans-91.2-11.6176.300000113.8F263 Y264 H285 P286 V290F263-G288 CarbonylContact C-O 3.52Å; F263-G288 WeakPolarHBondContact CA-O 3.36Å; F263-G288 WeakPolarHBondContact CB-O 3.35Å; Y264-G288 WeakPolarHBondContact CD1-O 3.2Å; Y264-G288 VanDerWaalsContact CE1-C 3.45Å; Y264-G288 PolarHBondContact N-O 2.95Å; H285-G288 PolarHBondContact O-N 3.3Å; P286-G288 PolarHBondContact O-N 3.38Å; G288-V290 PolarHBondContact O-N 3.22Å
289L98.8Very high96.8Very high0 Ų028.5 Ų28.50%015%0.145CC..EExtended strand (participates in β ladder)trans-74.7120.7-171.9-164.6150.9000111.6Y264 M266 H282 P286 L291 F342 A356 H360Y264-L289 HydrophobicContact CE1-CB 4.33Å; Y264-L289 HydrophobicContact CE2-CB 3.94Å; Y264-L289 HydrophobicContact CE2-CD1 3.92Å; Y264-L289 HydrophobicContact CE2-CG 3.75Å; Y264-L289 WeakPolarHBondContact OH-CB 3.45Å; M266-L289 HydrophobicContact CB-CD2 4.25Å; M266-L289 HydrophobicContact CB-CG 4.34Å; M266-L289 HydrophobicContact CG-CD1 3.93Å; M266-L289 HydrophobicContact CG-CD2 4.21Å; M266-L289 HydrophobicContact CG-CG 3.75Å; H282-L289 HydrophobicContact CB-CD1 3.95Å; P286-L289 PolarHBondContact O-N 3.02Å; L289-L291 HydrophobicContact CD2-CD2 3.87Å; L289-L291 HydrophobicContact CD2-CG 4.03Å; L289-F342 HydrophobicContact CD1-CD2 4.33Å; L289-F342 HydrophobicContact CD1-CE2 3.39Å; L289-F342 HydrophobicContact CD1-CZ 3.64Å; L289-F342 HydrophobicContact CD2-CD2 4.45Å; L289-F342 HydrophobicContact CD2-CE1 4.31Å; L289-F342 HydrophobicContact CD2-CE2 4.03Å; L289-F342 HydrophobicContact CD2-CZ 3.95Å; L289-F342 HydrophobicContact CG-CE2 4.39Å; L289-F342 HydrophobicContact CG-CZ 4.39Å; L289-A356 HydrophobicContact CD2-CB 3.66Å; L289-H360 WeakPolarHBondContact O-CB 3.4Å; L289-H360 PolarHBondContact O-ND1 3.21Å
290V98.9Very high96.5Very high0 Ų027.5 Ų27.50%016%0.159CC..EExtended strand (participates in β ladder)trans-112.4122.5172.1177.30000108.4V70 F229 F263 Y264 G265 M266 G288 V292 A356 H360 P361 L364V70-V290 HydrophobicContact CG2-CG1 3.84Å; F229-V290 HydrophobicContact CE2-CB 3.87Å; F229-V290 HydrophobicContact CE2-CG1 4.42Å; F229-V290 HydrophobicContact CE2-CG2 3.9Å; F229-V290 HydrophobicContact CZ-CB 4.14Å; F229-V290 HydrophobicContact CZ-CG1 4.32Å; F263-V290 HydrophobicContact CB-CG2 4.01Å; F263-V290 HydrophobicContact CD1-CG2 4.02Å; F263-V290 HydrophobicContact CG-CG2 4.36Å; Y264-V290 PolarHBondContact O-N 2.84Å; G265-V290 CarbonylContact C-O 3.58Å; G265-V290 VanDerWaalsContact CA-O 3.3Å; G265-V290 WeakPolarHBondContact CA-O 3.32Å; M266-V290 PolarHBondContact N-O 3.01Å; G288-V290 PolarHBondContact O-N 3.22Å; V290-V292 HydrophobicContact CG1-CG1 4.18Å; V290-A356 WeakPolarHBondContact CA-O 3.46Å; V290-H360 HydrophobicContact CG2-CB 3.91Å; V290-P361 HydrophobicContact CG1-CB 3.8Å; V290-P361 HydrophobicContact CG1-CG 4.18Å; V290-L364 HydrophobicContact CG2-CD2 4.38Å
291L98.8Very high96.2Very high0 Ų025.3 Ų25.30%015%0.148CC..EExtended strand (participates in β ladder)trans-73.6131.5170.7-69175.9000109.1M266 A268 L289 M335 V339 F342 A356 A357M266-L291 HydrophobicContact CB-CD2 4.47Å; A268-L291 HydrophobicContact CB-CD2 3.72Å; L289-L291 HydrophobicContact CD2-CD2 3.87Å; L289-L291 HydrophobicContact CD2-CG 4.03Å; L291-M335 HydrophobicContact CB-SD 3.95Å; L291-V339 HydrophobicContact CD1-CB 4.48Å; L291-V339 HydrophobicContact CD1-CG2 3.86Å; L291-F342 HydrophobicContact CD1-CB 4.09Å; L291-F342 HydrophobicContact CD1-CD1 4.08Å; L291-F342 HydrophobicContact CD1-CG 4.28Å; L291-F342 HydrophobicContact CD2-CB 3.86Å; L291-F342 HydrophobicContact CD2-CD1 4.36Å; L291-F342 HydrophobicContact CD2-CD2 4.28Å; L291-F342 HydrophobicContact CD2-CG 3.92Å; L291-A356 HydrophobicContact CD1-CB 4.11Å; L291-A356 HydrophobicContact CG-CB 3.9Å; L291-A356 PolarHBondContact N-O 3.34Å; L291-A357 HydrophobicContact CB-CB 4.44Å; L291-A357 HydrophobicContact CD1-CB 4.2Å
292V98.8Very high95.7Very high0 Ų030.1 Ų30.10%018%0.179CC..EExtended strand (participates in β ladder)trans-130.5149.9173.7-64.70000108.6V70 Q71 M266 I267 V290V70-V292 HydrophobicContact CG2-CG1 3.58Å; Q71-V292 HydrophobicContact CB-CB 3.99Å; Q71-V292 HydrophobicContact CB-CG1 3.97Å; M266-V292 PolarHBondContact O-N 2.97Å; I267-V292 HydrophobicContact CG1-CG2 3.99Å; V290-V292 HydrophobicContact CG1-CG1 4.18Å
293T98.3Very high95.2Very high2 Ų233.2 Ų33.21%0.01220%0.201CC..  trans-83.6-38.7174.761.90000111.3D69 Q71 A295 S331 A333 M335D69-T293 PolarHBondContact OD1-N 2.86Å; D69-T293 VanDerWaalsContact OD2-CB 3.3Å; D69-T293 WeakPolarHBondContact OD2-CB 3.25Å; D69-T293 WeakPolarHBondContact OD2-CG2 3.39Å; D69-T293 PolarHBondContact OD2-OG1 2.7Å; Q71-T293 PolarHBondContact O-OG1 2.72Å; T293-A295 PolarHBondContact O-N 3.13Å; T293-A295 WeakPolarHBondContact OG1-CB 3.33Å; T293-A295 PolarHBondContact OG1-N 3.12Å; T293-A295 VanDerWaalsContact OG1-N 3.12Å; T293-S331 WeakPolarHBondContact O-CB 3.47Å; T293-S331 PolarHBondContact O-OG 2.78Å; T293-A333 WeakPolarHBondContact CB-O 3.41Å; T293-M335 HydrophobicContact CG2-CB 4.28Å; T293-M335 HydrophobicContact CG2-CE 4.23Å
294D96.8Very high94.8Very high13 Ų1326.3 Ų26.37%0.0718%0.184CC..  trans50.329.9-162.1-16236.9000111.4Q71 N73 I267 G330 S331Q71-D294 HydrophobicContact CG-CB 4.45Å; Q71-D294 PolarHBondContact NE2-OD1 2.96Å; Q71-D294 VanDerWaalsContact O-CA 3.29Å; Q71-D294 WeakPolarHBondContact O-CA 3.43Å; Q71-D294 PolarHBondContact O-N 2.86Å; N73-D294 PolarHBondContact ND2-O 3.13Å; N73-D294 PolarHBondContact ND2-OD1 2.92Å; I267-D294 HydrophobicContact CD1-CB 3.47Å; I267-D294 VanDerWaalsContact CD1-CB 3.47Å; I267-D294 HydrophobicContact CG1-CB 3.81Å; D294-G330 CarbonylContact O-C 3.44Å; D294-G330 WeakPolarHBondContact O-CA 3.36Å; D294-G330 WeakPolarHBondContact OD2-CA 3.26Å; D294-S331 PolarHBondContact O-N 3.43Å
295A96.4Very high94.4Very high0 Ų032.4 Ų32.40%020%0.198CC..BIsolated β-bridgetrans-65.9145.4-174.800000111.1I72 N73 G74 T293 M299 S331I72-A295 HydrophobicContact CD1-CB 4.28Å; I72-A295 HydrophobicContact CG1-CB 4.14Å; N73-A295 WeakPolarHBondContact CA-O 3.48Å; N73-A295 WeakPolarHBondContact CB-O 3.18Å; N73-A295 PolarHBondContact N-O 3.13Å; G74-A295 PolarHBondContact N-O 2.97Å; T293-A295 PolarHBondContact O-N 3.13Å; T293-A295 WeakPolarHBondContact OG1-CB 3.33Å; T293-A295 PolarHBondContact OG1-N 3.12Å; T293-A295 VanDerWaalsContact OG1-N 3.12Å; A295-M299 HydrophobicContact CB-CB 4.1Å; A295-M299 HydrophobicContact CB-CE 4.18Å; A295-M299 HydrophobicContact CB-CG 4.29Å; A295-M299 HydrophobicContact CB-SD 3.56Å; A295-M299 VanDerWaalsContact CB-SD 3.56Å; A295-S331 CarbonylContact C-O 3.59Å; A295-S331 WeakPolarHBondContact CA-O 3.47Å
296I94Very high94.1Very high0 Ų032.6 Ų32.60%020%0.198CC..  trans-114.8176.8179.474.4-167.1000110.6N73 G74 G75 A298 M299 L308 V313 I315 A320 S329 S331N73-I296 HydrophobicContact CB-CG2 4.39Å; G74-I296 CarbonylContact O-C 3.58Å; G75-I296 WeakPolarHBondContact CA-O 3.3Å; I296-A298 HydrophobicContact CG1-CB 4.17Å; I296-A298 PolarHBondContact O-N 3.45Å; I296-M299 WeakPolarHBondContact O-CB 3.23Å; I296-M299 PolarHBondContact O-N 2.83Å; I296-L308 HydrophobicContact CB-CD1 4.44Å; I296-L308 HydrophobicContact CG2-CD1 3.98Å; I296-L308 HydrophobicContact CG2-CD2 4.17Å; I296-V313 HydrophobicContact CD1-CB 4.46Å; I296-V313 HydrophobicContact CD1-CG2 3.92Å; I296-I315 HydrophobicContact CD1-CD1 4.14Å; I296-A320 HydrophobicContact CD1-CB 3.61Å; I296-S329 VanDerWaalsContact CD1-O 3.31Å; I296-S329 WeakPolarHBondContact CD1-O 3.41Å; I296-S331 WeakPolarHBondContact CG1-O 3.26Å; I296-S331 PolarHBondContact N-O 3.34Å
297T92.3Very high93.5Very high6 Ų631.4 Ų31.44%0.03719%0.19CC..THydrogen-bonded Turntrans-41.8-30.8177.8-540000115.8Y76 G77 V78 D79 H306 T307Y76-T297 PolarHBondContact N-O 3.44Å; G77-T297 VanDerWaalsContact C-CG2 3.41Å; G77-T297 PolarHBondContact N-O 2.78Å; V78-T297 VanDerWaalsContact O-CA 3.27Å; V78-T297 WeakPolarHBondContact O-CA 3.33Å; V78-T297 WeakPolarHBondContact O-CB 3.32Å; V78-T297 PolarHBondContact O-OG1 3.28Å; D79-T297 WeakPolarHBondContact CA-OG1 3.34Å; D79-T297 WeakPolarHBondContact CB-OG1 3.27Å; T297-H306 HydrophobicContact CG2-CB 4.48Å; T297-T307 PolarHBondContact OG1-O 3.15Å
298A92.1Very high93.1Very high2 Ų229.4 Ų29.42%0.01718%0.175CC..THydrogen-bonded Turntrans-78.9-11.6-179.900000115.2I296 G300 L301 H306 I315 I332I296-A298 HydrophobicContact CG1-CB 4.17Å; I296-A298 PolarHBondContact O-N 3.45Å; A298-G300 PolarHBondContact O-N 2.81Å; A298-L301 WeakPolarHBondContact O-CB 3.43Å; A298-L301 PolarHBondContact O-N 3.18Å; A298-H306 HydrophobicContact CB-CB 4.36Å; A298-I315 HydrophobicContact CB-CD1 3.58Å; A298-I315 HydrophobicContact CB-CG1 3.52Å; A298-I332 HydrophobicContact CB-CG2 3.81Å
299M94.3Very high92.5Very high2 Ų229.4 Ų29.41%0.0118%0.175CC..THydrogen-bonded Turntrans-54.9127.3174.5-178.9-175.659.100109.7I72 Y76 I98 A295 I296 L301 T334I72-M299 HydrophobicContact CD1-CE 3.86Å; Y76-M299 WeakPolarHBondContact CA-O 3.49Å; Y76-M299 HydrophobicContact CD2-CE 4.11Å; Y76-M299 HydrophobicContact CE2-CE 3.63Å; Y76-M299 PolarHBondContact N-O 2.8Å; I98-M299 HydrophobicContact CG2-CE 3.92Å; A295-M299 HydrophobicContact CB-CB 4.1Å; A295-M299 HydrophobicContact CB-CE 4.18Å; A295-M299 HydrophobicContact CB-CG 4.29Å; A295-M299 HydrophobicContact CB-SD 3.56Å; A295-M299 VanDerWaalsContact CB-SD 3.56Å; I296-M299 WeakPolarHBondContact O-CB 3.23Å; I296-M299 PolarHBondContact O-N 2.83Å; M299-L301 VanDerWaalsContact C-N 3.3Å; M299-L301 PolarHBondContact O-N 3.42Å; M299-T334 HydrophobicContact CG-CG2 4.24Å; M299-T334 HydrophobicContact SD-CG2 4.13Å
300G90Very high91.8Very high57 Ų5732 Ų3259%0.58819%0.187SC*.THydrogen-bonded Turntrans77.27.8-177.500000115.5A298A298-G300 PolarHBondContact O-N 2.81Å
301L90.8Very high91.1Very high65 Ų6534.1 Ų34.134%0.3420%0.197SC..SBendtrans-114.6157.9175.9-61.7-175.1000112.5A298 M299A298-L301 WeakPolarHBondContact O-CB 3.43Å; A298-L301 PolarHBondContact O-N 3.18Å; M299-L301 VanDerWaalsContact C-N 3.3Å; M299-L301 PolarHBondContact O-N 3.42Å
302P87.5Confident90.6Very high102 Ų10236.9 Ų36.966%0.66221%0.214SC*.  trans-61.8156.3170.1-21.333.2000112.5G304P302-G304 PolarHBondContact O-N 3.44Å
303P89.1Confident90.1Very high88 Ų8836.9 Ų36.957%0.57121%0.214SC*.SBendtrans-55.4136174.7-25.634.5000112.7I315P303-I315 HydrophobicContact CB-CB 4.41Å; P303-I315 HydrophobicContact CB-CG2 4.17Å
304G89Confident89.7Confident27 Ų2739.9 Ų39.928%0.27823%0.228SC..SBendtrans-179.6-166.5-175.600000113.2P302 I315P302-G304 PolarHBondContact O-N 3.44Å; G304-I315 PolarHBondContact O-N 3.13Å
305R89.8Confident89.4Confident171 Ų17139.7 Ų39.765%0.64523%0.227SC*.EExtended strand (participates in β ladder)trans-94.8128.4171.3-67.9177.772.4113.7-3.4109V312 V313R305-V312 HydrophobicContact CB-CG1 4.49Å; R305-V313 WeakPolarHBondContact CA-O 3.37Å
306H89.2Confident88.8Confident34 Ų3444.5 Ų44.516%0.15725%0.249CC..EExtended strand (participates in β ladder)trans-135.1-171178.4-56.3-91.5000109.4T297 A298 V312 V313T297-H306 HydrophobicContact CG2-CB 4.48Å; A298-H306 HydrophobicContact CB-CB 4.36Å; H306-V312 WeakPolarHBondContact O-CA 3.11Å; H306-V313 HydrophobicContact CB-CG2 3.84Å; H306-V313 PolarHBondContact N-O 2.94Å; H306-V313 PolarHBondContact O-N 3.13Å
307T85.6Confident88.4Confident37 Ų3747 Ų4723%0.22727%0.274CS..EExtended strand (participates in β ladder)trans-122.3157179.256.90000111.7D79 Q82 T297 Q311D79-T307 PolarHBondContact OD2-OG1 2.98Å; Q82-T307 VanDerWaalsContact NE2-CG2 3.32Å; Q82-T307 PolarHBondContact NE2-OG1 3.34Å; T297-T307 PolarHBondContact OG1-O 3.15Å; T307-Q311 VanDerWaalsContact CA-O 3.26Å; T307-Q311 WeakPolarHBondContact CA-O 3.47Å
308L86.2Confident88Confident11 Ų1151.4 Ų51.46%0.05830%0.298CS..EExtended strand (participates in β ladder)trans-139.8105.6163.5176.763000107.3N73 D79 V111 A154 I296 Q310 Q311 V313 S329N73-L308 HydrophobicContact CB-CD1 3.53Å; D79-L308 WeakPolarHBondContact OD2-CA 3.24Å; D79-L308 PolarHBondContact OD2-N 2.78Å; V111-L308 HydrophobicContact CG1-CD1 4.18Å; V111-L308 HydrophobicContact CG1-CG 4.49Å; V111-L308 HydrophobicContact CG2-CD1 4.5Å; V111-L308 HydrophobicContact CG2-CG 4.45Å; A154-L308 HydrophobicContact CB-CD2 4.43Å; I296-L308 HydrophobicContact CB-CD1 4.44Å; I296-L308 HydrophobicContact CG2-CD1 3.98Å; I296-L308 HydrophobicContact CG2-CD2 4.17Å; L308-Q310 PolarHBondContact O-N 2.87Å; L308-Q311 PolarHBondContact N-O 2.83Å; L308-Q311 WeakPolarHBondContact O-CB 3.35Å; L308-Q311 PolarHBondContact O-N 2.96Å; L308-V313 HydrophobicContact CB-CG1 4Å; L308-S329 VanDerWaalsContact CD2-OG 3.27Å; L308-S329 WeakPolarHBondContact CD2-OG 3.19Å
309G86.2Confident87.8Confident0 Ų054.6 Ų54.60%031%0.312CS..THydrogen-bonded Turntrans52.5-121.3-167.300000110.8D79 Q82 Q311D79-G309 PolarHBondContact OD1-N 3.36Å; D79-G309 PolarHBondContact OD2-N 3.29Å; Q82-G309 VanDerWaalsContact CG-O 3.3Å; Q82-G309 WeakPolarHBondContact CG-O 3.38Å; Q82-G309 PolarHBondContact NE2-O 3.47Å; G309-Q311 VanDerWaalsContact C-N 3.35Å
310Q84Confident87.4Confident55 Ų5554.5 Ų54.526%0.25731%0.312SS..THydrogen-bonded Turntrans-9513.8-177.9-56.981.444.600113.7S81 T112 S113 F159 L308S81-Q310 PolarHBondContact O-NE2 3.31Å; T112-Q310 PolarHBondContact O-OE1 3.1Å; S113-Q310 PolarHBondContact OG-NE2 3.4Å; F159-Q310 HydrophobicContact CE2-CB 4.1Å; F159-Q310 HydrophobicContact CE2-CG 3.86Å; L308-Q310 PolarHBondContact O-N 2.87Å
311Q84.4Confident87.4Confident44 Ų4454.3 Ų54.321%0.20629%0.293CS..EExtended strand (participates in β ladder)trans-103.6154.1176.2-62.5-63.3-36.200111.9A154 T307 L308 G309A154-Q311 VanDerWaalsContact O-CG 3.23Å; A154-Q311 WeakPolarHBondContact O-CG 3.36Å; T307-Q311 VanDerWaalsContact CA-O 3.26Å; T307-Q311 WeakPolarHBondContact CA-O 3.47Å; L308-Q311 PolarHBondContact N-O 2.83Å; L308-Q311 WeakPolarHBondContact O-CB 3.35Å; L308-Q311 PolarHBondContact O-N 2.96Å; G309-Q311 VanDerWaalsContact C-N 3.35Å
312V87.4Confident87.1Confident58 Ų5852 Ų5235%0.35228%0.282SS..EExtended strand (participates in β ladder)trans-98128.4167-175.80000108.5R305 H306 A323R305-V312 HydrophobicContact CB-CG1 4.49Å; H306-V312 WeakPolarHBondContact O-CA 3.11Å; V312-A323 HydrophobicContact CB-CB 4.07Å; V312-A323 HydrophobicContact CG1-CB 3.97Å; V312-A323 VanDerWaalsContact O-CB 3.24Å; V312-A323 WeakPolarHBondContact O-CB 3.42Å; V312-A323 PolarHBondContact O-N 3.45Å
313V88Confident86.8Confident0 Ų048.5 Ų48.50%026%0.262CS..EExtended strand (participates in β ladder)trans-110.4146.9175.5-62.40000110.2I296 R305 H306 L308 Y321 S329I296-V313 HydrophobicContact CD1-CB 4.46Å; I296-V313 HydrophobicContact CD1-CG2 3.92Å; R305-V313 WeakPolarHBondContact CA-O 3.37Å; H306-V313 HydrophobicContact CB-CG2 3.84Å; H306-V313 PolarHBondContact N-O 2.94Å; H306-V313 PolarHBondContact O-N 3.13Å; L308-V313 HydrophobicContact CB-CG1 4Å; V313-Y321 CarbonylContact C-O 3.55Å; V313-Y321 VanDerWaalsContact CA-O 3.22Å; V313-Y321 WeakPolarHBondContact CA-O 3.48Å; V313-S329 WeakPolarHBondContact CG1-OG 3.44Å
314Q90.3Very high86.5Confident66 Ų6648.3 Ų48.331%0.30828%0.275SS..EExtended strand (participates in β ladder)trans-118.8123.6175.7-175.6173.6-4.400109.6Q316 Y321Q314-Q316 HydrophobicContact CG-CG 4.23Å; Q314-Y321 PolarHBondContact N-O 3.47Å; Q314-Y321 PolarHBondContact O-N 3.17Å
315I90.1Very high86.3Confident9 Ų950.2 Ų50.25%0.04628%0.281CS..EExtended strand (participates in β ladder)trans-90.5124.9177.4-49.8-58.6000109.3I296 A298 P303 G304 H319 A320 I332I296-I315 HydrophobicContact CD1-CD1 4.14Å; A298-I315 HydrophobicContact CB-CD1 3.58Å; A298-I315 HydrophobicContact CB-CG1 3.52Å; P303-I315 HydrophobicContact CB-CB 4.41Å; P303-I315 HydrophobicContact CB-CG2 4.17Å; G304-I315 PolarHBondContact O-N 3.13Å; I315-H319 CarbonylContact C-O 3.39Å; I315-H319 WeakPolarHBondContact CA-O 3.44Å; I315-A320 HydrophobicContact CD1-CB 3.49Å; I315-A320 VanDerWaalsContact CD1-CB 3.49Å; I315-I332 HydrophobicContact CD1-CG2 4.01Å; I315-I332 HydrophobicContact CG2-CD1 4.36Å
316Q84.7Confident86Confident100 Ų10051.3 Ų51.347%0.46729%0.291SS..EExtended strand (participates in β ladder)trans-128.9103.1176.2-63.9-175.24.400109.2Q314 L318 H319 Y321Q314-Q316 HydrophobicContact CG-CG 4.23Å; Q316-L318 PolarHBondContact O-N 3.3Å; Q316-H319 PolarHBondContact N-O 3.03Å; Q316-H319 PolarHBondContact O-N 2.76Å; Q316-H319 VanDerWaalsContact O-N 3.1Å; Q316-Y321 HydrophobicContact CB-CE2 4.45Å
317G86.4Confident85.8Confident52 Ų5252.7 Ų52.754%0.53630%0.302SS..THydrogen-bonded Turntrans63.2-118.6-168.800000110
318L84Confident85.8Confident100 Ų10053.6 Ų53.652%0.52431%0.305SS..THydrogen-bonded Turntrans-96-1.1176.5-61.4179.1000114I271 Q316 I332I271-L318 HydrophobicContact CD1-CB 3.35Å; I271-L318 HydrophobicContact CD1-CD1 4.42Å; I271-L318 WeakPolarHBondContact CD1-O 3.37Å; Q316-L318 PolarHBondContact O-N 3.3Å; L318-I332 HydrophobicContact CD2-CD1 3.98Å
319H86.6Confident85.7Confident69 Ų6953.2 Ų53.232%0.31930%0.303SS..EExtended strand (participates in β ladder)trans-94.9135.5-176.5-58.481.2000111.1I271 I315 Q316 Y321 L328I271-H319 WeakPolarHBondContact CG2-CD2 3.48Å; I315-H319 CarbonylContact C-O 3.39Å; I315-H319 WeakPolarHBondContact CA-O 3.44Å; Q316-H319 PolarHBondContact N-O 3.03Å; Q316-H319 PolarHBondContact O-N 2.76Å; Q316-H319 VanDerWaalsContact O-N 3.1Å; H319-Y321 HydrophobicContact CB-CD2 4.12Å; H319-Y321 HydrophobicContact CB-CE1 4.43Å; H319-Y321 HydrophobicContact CB-CE2 3.38Å; H319-Y321 PolarHBondContact CD2-OH 3.03Å; H319-Y321 VanDerWaalsContact CD2-OH 3.31Å; H319-Y321 AromaticContact CG-CZ 3.97Å; H319-L328 HydrophobicContact CB-CD2 4.42Å
320A86.6Confident85.8Confident0 Ų053.5 Ų53.50%031%0.306CS..EExtended strand (participates in β ladder)trans-107116.9169.700000110.2I296 I315 L328 S329I296-A320 HydrophobicContact CD1-CB 3.61Å; I315-A320 HydrophobicContact CD1-CB 3.49Å; I315-A320 VanDerWaalsContact CD1-CB 3.49Å; A320-L328 CarbonylContact O-C 3.56Å; A320-L328 VanDerWaalsContact O-CA 3.31Å; A320-L328 WeakPolarHBondContact O-CA 3.41Å; A320-S329 WeakPolarHBondContact CB-O 3.12Å; A320-S329 PolarHBondContact O-N 3.33Å
321Y88.6Confident86.2Confident53 Ų5350.9 Ų50.921%0.20829%0.294CS..EExtended strand (participates in β ladder)trans-113146.7178.7-61.4-71.4000111.5V313 Q314 Q316 H319 A323 T327 L328V313-Y321 CarbonylContact C-O 3.55Å; V313-Y321 VanDerWaalsContact CA-O 3.22Å; V313-Y321 WeakPolarHBondContact CA-O 3.48Å; Q314-Y321 PolarHBondContact N-O 3.47Å; Q314-Y321 PolarHBondContact O-N 3.17Å; Q316-Y321 HydrophobicContact CB-CE2 4.45Å; H319-Y321 HydrophobicContact CB-CD2 4.12Å; H319-Y321 HydrophobicContact CB-CE1 4.43Å; H319-Y321 HydrophobicContact CB-CE2 3.38Å; H319-Y321 PolarHBondContact CD2-OH 3.03Å; H319-Y321 VanDerWaalsContact CD2-OH 3.31Å; H319-Y321 AromaticContact CG-CZ 3.97Å; Y321-A323 PolarHBondContact O-N 3.24Å; Y321-T327 CarbonylContact C-O 3.41Å; Y321-T327 VanDerWaalsContact CA-O 3.31Å; Y321-T327 WeakPolarHBondContact CA-O 3.41Å; Y321-L328 HydrophobicContact CD1-CD2 3.91Å; Y321-L328 HydrophobicContact CE1-CD2 3.58Å; Y321-L328 HydrophobicContact CE1-CG 4.26Å
322V84.6Confident86.6Confident17 Ų1750.3 Ų50.310%0.10329%0.292CS..EExtended strand (participates in β ladder)trans-60124.6162.2-178.80000108.1A154 G324 T325 T327A154-V322 HydrophobicContact CB-CG2 3.88Å; V322-G324 PolarHBondContact O-N 3.04Å; V322-T325 HydrophobicContact CB-CG2 4.44Å; V322-T325 WeakPolarHBondContact CB-OG1 3.19Å; V322-T325 HydrophobicContact CG1-CG2 4.35Å; V322-T325 PolarHBondContact O-N 3.35Å; V322-T325 PolarHBondContact O-OG1 3.15Å; V322-T327 HydrophobicContact CG2-CG2 4.32Å; V322-T327 PolarHBondContact N-O 3.13Å
323A81.3Confident86.9Confident28 Ų2847.7 Ų47.723%0.23128%0.277CS..THydrogen-bonded Turntrans-55.6127.1-171.900000111.5V312 Y321V312-A323 HydrophobicContact CB-CB 4.07Å; V312-A323 HydrophobicContact CG1-CB 3.97Å; V312-A323 VanDerWaalsContact O-CB 3.24Å; V312-A323 WeakPolarHBondContact O-CB 3.42Å; V312-A323 PolarHBondContact O-N 3.45Å; Y321-A323 PolarHBondContact O-N 3.24Å
324G83.4Confident87.4Confident83 Ų8348.3 Ų48.386%0.85628%0.281SS*.THydrogen-bonded Turntrans84.36-176.900000115.1V322V322-G324 PolarHBondContact O-N 3.04Å
325T84.7Confident87.8Confident67 Ų6745.3 Ų45.341%0.41127%0.266SS..SBendtrans-131.1-179178.281.10000111.9V322 T327V322-T325 HydrophobicContact CB-CG2 4.44Å; V322-T325 WeakPolarHBondContact CB-OG1 3.19Å; V322-T325 HydrophobicContact CG1-CG2 4.35Å; V322-T325 PolarHBondContact O-N 3.35Å; V322-T325 PolarHBondContact O-OG1 3.15Å; T325-T327 WeakPolarHBondContact OG1-CB 3.1Å; T325-T327 PolarHBondContact OG1-N 3.18Å; T325-T327 VanDerWaalsContact OG1-N 3.09Å
326K84Confident88.1Confident195 Ų19545.6 Ų45.685%0.84827%0.268SS*.SBendtrans-106.19.1168.1-64.1-174.8178.7-178.50112.8L328K326-L328 PolarHBondContact O-N 3.24Å
327T83.9Confident88.7Confident63 Ų6344.4 Ų44.439%0.38726%0.264SS..  trans-74.7120.2-180-56.40000108.6Y321 V322 T325Y321-T327 CarbonylContact C-O 3.41Å; Y321-T327 VanDerWaalsContact CA-O 3.31Å; Y321-T327 WeakPolarHBondContact CA-O 3.41Å; V322-T327 HydrophobicContact CG2-CG2 4.32Å; V322-T327 PolarHBondContact N-O 3.13Å; T325-T327 WeakPolarHBondContact OG1-CB 3.1Å; T325-T327 PolarHBondContact OG1-N 3.18Å; T325-T327 VanDerWaalsContact OG1-N 3.09Å
328L86.3Confident89.3Confident56 Ų5642 Ų4229%0.29324%0.238SC..BIsolated β-bridgetrans-64.2145.1172.3-71.1172.9000110.3I271 H319 A320 Y321 K326I271-L328 HydrophobicContact CG2-CD1 4.33Å; I271-L328 HydrophobicContact CG2-CD2 4.39Å; H319-L328 HydrophobicContact CB-CD2 4.42Å; A320-L328 CarbonylContact O-C 3.56Å; A320-L328 VanDerWaalsContact O-CA 3.31Å; A320-L328 WeakPolarHBondContact O-CA 3.41Å; Y321-L328 HydrophobicContact CD1-CD2 3.91Å; Y321-L328 HydrophobicContact CE1-CD2 3.58Å; Y321-L328 HydrophobicContact CE1-CG 4.26Å; K326-L328 PolarHBondContact O-N 3.24Å
329S84.8Confident90Very high2 Ų237.2 Ų37.21%0.01421%0.213CC..  trans-143.887.4-173.4-177.40000110.4A154 I296 L308 V313 A320A154-S329 WeakPolarHBondContact CB-OG 3.38Å; I296-S329 VanDerWaalsContact CD1-O 3.31Å; I296-S329 WeakPolarHBondContact CD1-O 3.41Å; L308-S329 VanDerWaalsContact CD2-OG 3.27Å; L308-S329 WeakPolarHBondContact CD2-OG 3.19Å; V313-S329 WeakPolarHBondContact CG1-OG 3.44Å; A320-S329 WeakPolarHBondContact CB-O 3.12Å; A320-S329 PolarHBondContact O-N 3.33Å
330G87.2Confident90.6Very high6 Ų637.2 Ų37.26%0.06221%0.21CC..  trans61.7-172.7-172.400000113.2H272 D294H272-G330 PolarHBondContact CE1-O 3.45Å; H272-G330 PolarHBondContact NE2-O 3.31Å; D294-G330 CarbonylContact O-C 3.44Å; D294-G330 WeakPolarHBondContact O-CA 3.36Å; D294-G330 WeakPolarHBondContact OD2-CA 3.26Å
331S91.9Very high91.1Very high1 Ų139.4 Ų39.41%0.00722%0.221CC..BIsolated β-bridgetrans-122.5174.4-176.893.10000112.8T293 D294 A295 I296 A333T293-S331 WeakPolarHBondContact O-CB 3.47Å; T293-S331 PolarHBondContact O-OG 2.78Å; D294-S331 PolarHBondContact O-N 3.43Å; A295-S331 CarbonylContact C-O 3.59Å; A295-S331 WeakPolarHBondContact CA-O 3.47Å; I296-S331 WeakPolarHBondContact CG1-O 3.26Å; I296-S331 PolarHBondContact N-O 3.34Å; S331-A333 WeakPolarHBondContact OG-CB 3.41Å; S331-A333 PolarHBondContact OG-N 2.94Å
332I93.1Very high91.6Very high31 Ų3137 Ų3716%0.15921%0.211CC..  trans-114.918.7163.764169.4000111.2A298 I315 L318A298-I332 HydrophobicContact CB-CG2 3.81Å; I315-I332 HydrophobicContact CD1-CG2 4.01Å; I315-I332 HydrophobicContact CG2-CD1 4.36Å; L318-I332 HydrophobicContact CD2-CD1 3.98Å
333A94.4Very high92.2Very high4 Ų439.7 Ų39.73%0.03322%0.222CC..  trans-76.2148.2-175.200000111.3D269 T293 S331D269-A333 HydrophobicContact CB-CB 3.81Å; T293-A333 WeakPolarHBondContact CB-O 3.41Å; S331-A333 WeakPolarHBondContact OG-CB 3.41Å; S331-A333 PolarHBondContact OG-N 2.94Å
334T97.4Very high93Very high13 Ų1346 Ų468%0.0825%0.246CC..  trans-104.9156.217362.40000109.5H101 M299 D336 M337 C338H101-T334 VanDerWaalsContact CE1-CG2 3.41Å; H101-T334 WeakPolarHBondContact CE1-CG2 3.32Å; H101-T334 VanDerWaalsContact CG-CB 3.48Å; H101-T334 WeakPolarHBondContact NE2-CG2 3.4Å; M299-T334 HydrophobicContact CG-CG2 4.24Å; M299-T334 HydrophobicContact SD-CG2 4.13Å; T334-D336 VanDerWaalsContact CB-OD1 3.3Å; T334-D336 WeakPolarHBondContact CB-OD1 3.28Å; T334-D336 PolarHBondContact O-N 2.54Å; T334-D336 PolarHBondContact OG1-OD1 2.81Å; T334-M337 WeakPolarHBondContact O-CB 3.4Å; T334-M337 PolarHBondContact O-N 3.3Å; T334-M337 VanDerWaalsContact O-N 3.12Å; T334-M337 WeakPolarHBondContact OG1-CB 3.48Å; T334-M337 WeakPolarHBondContact OG1-CG 3.37Å; T334-M337 PolarHBondContact OG1-SD 3.01Å; T334-M337 VanDerWaalsContact OG1-SD 3.41Å; T334-C338 PolarHBondContact O-N 2.99Å
335M98.7Very high93.6Very high2 Ų242.5 Ų42.51%0.0121%0.209CC..Hα-helixtrans-62.6-41.4-174.6-173.957.17500112.5F67 D69 V103 L291 T293 M337 C338 V339 A357F67-M335 HydrophobicContact CB-CG 3.71Å; F67-M335 HydrophobicContact CD2-CB 4.31Å; F67-M335 HydrophobicContact CD2-CG 3.69Å; F67-M335 HydrophobicContact CG-CG 3.91Å; D69-M335 HydrophobicContact CB-CE 3.62Å; V103-M335 HydrophobicContact CG2-CB 3.47Å; V103-M335 VanDerWaalsContact CG2-CB 3.47Å; V103-M335 HydrophobicContact CG2-CG 4.06Å; L291-M335 HydrophobicContact CB-SD 3.95Å; T293-M335 HydrophobicContact CG2-CB 4.28Å; T293-M335 HydrophobicContact CG2-CE 4.23Å; M335-M337 VanDerWaalsContact C-N 3.29Å; M335-M337 PolarHBondContact O-N 2.89Å; M335-C338 WeakPolarHBondContact O-CB 3.24Å; M335-C338 PolarHBondContact O-N 3.02Å; M335-C338 VanDerWaalsContact O-N 3.15Å; M335-C338 HydrophobicContact SD-CB 4.45Å; M335-V339 WeakPolarHBondContact O-CG2 3.22Å; M335-V339 PolarHBondContact O-N 2.98Å; M335-A357 HydrophobicContact CG-CB 4.3Å; M335-A357 HydrophobicContact SD-CB 3.94Å
336D98.1Very high94.1Very high16 Ų1639.6 Ų39.69%0.08619%0.192CC..Hα-helixtrans-62-35.5175.577-61.3000112.3H101 T334 R340 V391H101-D336 IonicContact CG-OD1 2.77Å; H101-D336 IonicContact ND1-OD1 3.5Å; H101-D336 PolarHBondContact ND1-OD1 3.32Å; T334-D336 VanDerWaalsContact CB-OD1 3.3Å; T334-D336 WeakPolarHBondContact CB-OD1 3.28Å; T334-D336 PolarHBondContact O-N 2.54Å; T334-D336 PolarHBondContact OG1-OD1 2.81Å; D336-R340 WeakPolarHBondContact O-CB 3.29Å; D336-R340 WeakPolarHBondContact O-CG 3.32Å; D336-R340 PolarHBondContact O-N 3.45Å; D336-R340 PolarHBondContact O-NE 2.84Å; D336-R340 IonicContact OD2-CZ 3.99Å; D336-R340 IonicContact OD2-NE 3.13Å; D336-R340 IonicContact OD2-NH2 2.71Å; D336-R340 PolarHBondContact OD2-NH2 3.48Å; D336-V391 HydrophobicContact CB-CG2 3.81Å
337M97.5Very high94.7Very high75 Ų7533.5 Ų33.537%0.36918%0.184SC..Hα-helixtrans-65.1-46.6172.3-77177.659.500110.9T334 M335 V339 R340 H341T334-M337 WeakPolarHBondContact O-CB 3.4Å; T334-M337 PolarHBondContact O-N 3.3Å; T334-M337 VanDerWaalsContact O-N 3.12Å; T334-M337 WeakPolarHBondContact OG1-CB 3.48Å; T334-M337 WeakPolarHBondContact OG1-CG 3.37Å; T334-M337 PolarHBondContact OG1-SD 3.01Å; T334-M337 VanDerWaalsContact OG1-SD 3.41Å; M335-M337 VanDerWaalsContact C-N 3.29Å; M335-M337 PolarHBondContact O-N 2.89Å; M337-V339 VanDerWaalsContact C-N 3.34Å; M337-V339 PolarHBondContact O-N 2.84Å; M337-R340 PolarHBondContact O-N 3.29Å; M337-H341 VanDerWaalsContact O-CB 3.31Å; M337-H341 WeakPolarHBondContact O-CB 3.31Å; M337-H341 PolarHBondContact O-N 2.88Å
338C98.4Very high95.3Very high0 Ų031.3 Ų31.30%017%0.172CC..Hα-helixtrans-58.5-44.4176.3-73.80000111.5A268 T334 M335 F342A268-C338 HydrophobicContact CB-CB 4.3Å; T334-C338 PolarHBondContact O-N 2.99Å; M335-C338 WeakPolarHBondContact O-CB 3.24Å; M335-C338 PolarHBondContact O-N 3.02Å; M335-C338 VanDerWaalsContact O-N 3.15Å; M335-C338 HydrophobicContact SD-CB 4.45Å; C338-F342 WeakPolarHBondContact O-CB 3.41Å; C338-F342 PolarHBondContact O-N 3.06Å
339V98.7Very high95.9Very high1 Ų130.7 Ų30.71%0.00617%0.172CC..Hα-helixtrans-59.9-51.4176.5168.50000111.2F67 L291 M335 M337 H341 F342 K343 A353 L354 A357 L389F67-V339 HydrophobicContact CE1-CG2 4.41Å; F67-V339 HydrophobicContact CE2-CG2 4.34Å; F67-V339 HydrophobicContact CZ-CG2 4.14Å; L291-V339 HydrophobicContact CD1-CB 4.48Å; L291-V339 HydrophobicContact CD1-CG2 3.86Å; M335-V339 WeakPolarHBondContact O-CG2 3.22Å; M335-V339 PolarHBondContact O-N 2.98Å; M337-V339 VanDerWaalsContact C-N 3.34Å; M337-V339 PolarHBondContact O-N 2.84Å; V339-H341 PolarHBondContact O-N 2.95Å; V339-F342 PolarHBondContact O-N 3.26Å; V339-K343 WeakPolarHBondContact O-CB 3.3Å; V339-K343 PolarHBondContact O-N 2.79Å; V339-A353 HydrophobicContact CG1-CB 4.26Å; V339-L354 HydrophobicContact CG1-CD2 4.07Å; V339-A357 HydrophobicContact CG2-CB 3.55Å; V339-L389 HydrophobicContact CG1-CD1 3.96Å
340R98.4Very high96.5Very high68 Ų6831.9 Ų31.926%0.25718%0.179SC..Hα-helixtrans-61.9-45.8-179.8-76.6-178.5-67.5113.4-8.9112D336 M337 Q344 G388 L389D336-R340 WeakPolarHBondContact O-CB 3.29Å; D336-R340 WeakPolarHBondContact O-CG 3.32Å; D336-R340 PolarHBondContact O-N 3.45Å; D336-R340 PolarHBondContact O-NE 2.84Å; D336-R340 IonicContact OD2-CZ 3.99Å; D336-R340 IonicContact OD2-NE 3.13Å; D336-R340 IonicContact OD2-NH2 2.71Å; D336-R340 PolarHBondContact OD2-NH2 3.48Å; M337-R340 PolarHBondContact O-N 3.29Å; R340-Q344 WeakPolarHBondContact O-CB 3.48Å; R340-Q344 PolarHBondContact O-N 2.96Å; R340-Q344 VanDerWaalsContact O-N 3.11Å; R340-G388 WeakPolarHBondContact CD-O 3.45Å; R340-G388 WeakPolarHBondContact CG-O 3.3Å; R340-L389 HydrophobicContact CG-CB 3.85Å
341H98Very high97.1Very high47 Ų4733.7 Ų33.722%0.21819%0.186CC..Hα-helixtrans-69-42.3179.9-174.982.4000111.6A268 G270 M337 V339 K343 Q344 A345A268-H341 VanDerWaalsContact O-CB 3.23Å; A268-H341 WeakPolarHBondContact O-CB 3.31Å; A268-H341 PolarHBondContact O-CD2 2.99Å; G270-H341 VanDerWaalsContact CA-CE1 3.49Å; G270-H341 WeakPolarHBondContact CA-CE1 3.37Å; G270-H341 VanDerWaalsContact CA-NE2 3.27Å; G270-H341 WeakPolarHBondContact CA-NE2 3.43Å; G270-H341 PolarHBondContact N-NE2 3.39Å; M337-H341 VanDerWaalsContact O-CB 3.31Å; M337-H341 WeakPolarHBondContact O-CB 3.31Å; M337-H341 PolarHBondContact O-N 2.88Å; V339-H341 PolarHBondContact O-N 2.95Å; H341-K343 PolarHBondContact O-N 3.49Å; H341-Q344 PolarHBondContact O-N 2.64Å; H341-A345 WeakPolarHBondContact O-CB 3.18Å; H341-A345 PolarHBondContact O-N 3.07Å
342F98.4Very high97.4Very high1 Ų136.5 Ų36.50%0.00420%0.201CC..Hα-helixtrans-57.5-50.4175.5173.8-116.9000111.1A268 L278 H282 L289 L291 C338 V339 Q344 A345 A346 C348 A353 A356A268-F342 HydrophobicContact CB-CB 3.92Å; L278-F342 HydrophobicContact CD1-CD2 4.1Å; L278-F342 HydrophobicContact CD2-CD2 3.58Å; L278-F342 HydrophobicContact CD2-CE2 3.77Å; L278-F342 HydrophobicContact CG-CD2 4.04Å; L278-F342 HydrophobicContact CG-CE2 4.38Å; H282-F342 HydrophobicContact CB-CE2 4.21Å; H282-F342 HydrophobicContact CB-CZ 4.42Å; H282-F342 AromaticContact CD2-CZ 3.61Å; L289-F342 HydrophobicContact CD1-CD2 4.33Å; L289-F342 HydrophobicContact CD1-CE2 3.39Å; L289-F342 HydrophobicContact CD1-CZ 3.64Å; L289-F342 HydrophobicContact CD2-CD2 4.45Å; L289-F342 HydrophobicContact CD2-CE1 4.31Å; L289-F342 HydrophobicContact CD2-CE2 4.03Å; L289-F342 HydrophobicContact CD2-CZ 3.95Å; L289-F342 HydrophobicContact CG-CE2 4.39Å; L289-F342 HydrophobicContact CG-CZ 4.39Å; L291-F342 HydrophobicContact CD1-CB 4.09Å; L291-F342 HydrophobicContact CD1-CD1 4.08Å; L291-F342 HydrophobicContact CD1-CG 4.28Å; L291-F342 HydrophobicContact CD2-CB 3.86Å; L291-F342 HydrophobicContact CD2-CD1 4.36Å; L291-F342 HydrophobicContact CD2-CD2 4.28Å; L291-F342 HydrophobicContact CD2-CG 3.92Å; C338-F342 WeakPolarHBondContact O-CB 3.41Å; C338-F342 PolarHBondContact O-N 3.06Å; V339-F342 PolarHBondContact O-N 3.26Å; F342-Q344 VanDerWaalsContact C-N 3.31Å; F342-Q344 PolarHBondContact O-N 2.75Å; F342-A345 PolarHBondContact O-N 3.44Å; F342-A346 HydrophobicContact CD2-CB 4.02Å; F342-A346 HydrophobicContact CE2-CB 3.68Å; F342-A346 HydrophobicContact CZ-CB 4.12Å; F342-A346 WeakPolarHBondContact O-CB 3.4Å; F342-A346 PolarHBondContact O-N 3.23Å; F342-C348 VanDerWaalsContact CE1-SG 3.51Å; F342-A353 HydrophobicContact CD1-CB 3.85Å; F342-A353 HydrophobicContact CE1-CB 4.3Å; F342-A356 HydrophobicContact CE1-CB 4.1Å
343K98.3Very high97.6Very high74 Ų7435 Ų3532%0.32219%0.193SC..Hα-helixtrans-52.6-49.4174.8178.9179.9177.3-64.60111.8V339 H341 G347 V350 A353 L389V339-K343 WeakPolarHBondContact O-CB 3.3Å; V339-K343 PolarHBondContact O-N 2.79Å; H341-K343 PolarHBondContact O-N 3.49Å; K343-G347 WeakPolarHBondContact O-CA 3.4Å; K343-G347 PolarHBondContact O-N 3.26Å; K343-V350 HydrophobicContact CD-CG2 4.03Å; K343-A353 HydrophobicContact CB-CB 3.9Å; K343-L389 HydrophobicContact CD-CD1 3.53Å; K343-L389 HydrophobicContact CD-CG 4.47Å
344Q97.7Very high97.8Very high161 Ų16134.8 Ų34.875%0.75219%0.192SC*.Hα-helixtrans-66.4-47.1-178.4-176-177.2-3.400112.4R340 H341 F342R340-Q344 WeakPolarHBondContact O-CB 3.48Å; R340-Q344 PolarHBondContact O-N 2.96Å; R340-Q344 VanDerWaalsContact O-N 3.11Å; H341-Q344 PolarHBondContact O-N 2.64Å; F342-Q344 VanDerWaalsContact C-N 3.31Å; F342-Q344 PolarHBondContact O-N 2.75Å
345A96Very high97.9Very high9 Ų935 Ų357%0.07419%0.192CC..Hα-helixtrans-74.2-41.8-173.900000112.3P275 L278 R279 H341 F342P275-A345 HydrophobicContact CB-CB 4.04Å; P275-A345 HydrophobicContact CG-CB 4.47Å; L278-A345 HydrophobicContact CD1-CB 4.28Å; L278-A345 HydrophobicContact CD2-CB 4.18Å; R279-A345 VanDerWaalsContact CD-O 3.28Å; R279-A345 WeakPolarHBondContact CD-O 3.15Å; R279-A345 WeakPolarHBondContact CG-O 3.44Å; R279-A345 PolarHBondContact NH1-O 2.97Å; H341-A345 WeakPolarHBondContact O-CB 3.18Å; H341-A345 PolarHBondContact O-N 3.07Å; F342-A345 PolarHBondContact O-N 3.44Å
346A95.6Very high97.9Very high6 Ų635 Ų355%0.0519%0.192CC..Hα-helixtrans-72.4-32.9176.500000111.9L278 F342 C348L278-A346 HydrophobicContact CD2-CB 3.61Å; F342-A346 HydrophobicContact CD2-CB 4.02Å; F342-A346 HydrophobicContact CE2-CB 3.68Å; F342-A346 HydrophobicContact CZ-CB 4.12Å; F342-A346 WeakPolarHBondContact O-CB 3.4Å; F342-A346 PolarHBondContact O-N 3.23Å; A346-C348 VanDerWaalsContact C-N 3.26Å; A346-C348 HydrophobicContact CB-CB 4.1Å
347G95.4Very high97.9Very high67 Ų6734.2 Ų34.269%0.69119%0.188SC*.THydrogen-bonded Turntrans66.929.2-16700000112.3K343K343-G347 WeakPolarHBondContact O-CA 3.4Å; K343-G347 PolarHBondContact O-N 3.26Å
348C97.2Very high98Very high18 Ų1830.7 Ų30.712%0.12217%0.17CC..  trans-83174.7178.263.10000111.9F342 A346 D352F342-C348 VanDerWaalsContact CE1-SG 3.51Å; A346-C348 VanDerWaalsContact C-N 3.26Å; A346-C348 HydrophobicContact CB-CB 4.1Å; C348-D352 HydrophobicContact CB-CB 3.88Å
349S98.1Very high98Very high43 Ų4331.3 Ų31.330%0.30117%0.174SC..  trans-69.2168.7175.868.70000111.7E351 D352 A353S349-E351 VanDerWaalsContact C-N 3.29Å; S349-E351 WeakPolarHBondContact CB-OE2 3.48Å; S349-D352 WeakPolarHBondContact CB-OD2 3.39Å; S349-D352 PolarHBondContact N-OD2 3.24Å; S349-D352 VanDerWaalsContact N-OD2 3.15Å; S349-D352 WeakPolarHBondContact OG-CB 3.28Å; S349-D352 PolarHBondContact OG-N 3.13Å; S349-D352 PolarHBondContact OG-OD2 3.05Å; S349-A353 PolarHBondContact O-N 3.43Å
350V98.6Very high98Very high27 Ų2731.7 Ų31.716%0.16418%0.176CC..Hα-helixtrans-65.8-41.6172.5168.60000109.4L26 I62 K343 A353 L354 L389L26-V350 HydrophobicContact CD1-CB 4.16Å; L26-V350 HydrophobicContact CD1-CG1 3.83Å; I62-V350 HydrophobicContact CD1-CG1 4.2Å; K343-V350 HydrophobicContact CD-CG2 4.03Å; V350-A353 PolarHBondContact O-N 2.85Å; V350-L354 HydrophobicContact CG1-CD1 3.55Å; V350-L354 HydrophobicContact CG1-CG 4.17Å; V350-L354 VanDerWaalsContact O-CG 3.26Å; V350-L354 WeakPolarHBondContact O-CG 3.31Å; V350-L354 PolarHBondContact O-N 3.04Å; V350-L389 HydrophobicContact CG1-CD1 4.38Å; V350-L389 HydrophobicContact CG1-CD2 3.66Å; V350-L389 HydrophobicContact CG2-CD2 4.39Å
351E98.5Very high98.1Very high43 Ų4328.5 Ų28.520%0.20116%0.163CC..Hα-helixtrans-55.6-52.2177.8-63.287.8161.900111.4L21 L26 S349 A353 L354 E355L21-E351 HydrophobicContact CD1-CB 3.94Å; L21-E351 HydrophobicContact CD1-CG 3.68Å; L26-E351 HydrophobicContact CG-CG 4.07Å; L26-E351 PolarHBondContact N-OE1 3.23Å; S349-E351 VanDerWaalsContact C-N 3.29Å; S349-E351 WeakPolarHBondContact CB-OE2 3.48Å; E351-A353 VanDerWaalsContact C-N 3.28Å; E351-A353 PolarHBondContact O-N 3.06Å; E351-L354 PolarHBondContact O-N 2.57Å; E351-E355 WeakPolarHBondContact O-CB 3.37Å; E351-E355 WeakPolarHBondContact O-CG 3.07Å; E351-E355 PolarHBondContact O-N 3.12Å
352D98.3Very high98.1Very high60 Ų6026.2 Ų26.232%0.32115%0.153SC..Hα-helixtrans-57.9-41.9178.9-62.9-41.1000111.8C348 S349 A356C348-D352 HydrophobicContact CB-CB 3.88Å; S349-D352 WeakPolarHBondContact CB-OD2 3.39Å; S349-D352 PolarHBondContact N-OD2 3.24Å; S349-D352 VanDerWaalsContact N-OD2 3.15Å; S349-D352 WeakPolarHBondContact OG-CB 3.28Å; S349-D352 PolarHBondContact OG-N 3.13Å; S349-D352 PolarHBondContact OG-OD2 3.05Å; D352-A356 WeakPolarHBondContact O-CB 3.25Å; D352-A356 PolarHBondContact O-N 3.49Å
353A98.6Very high98.1Very high0 Ų031 Ų310%017%0.171CC..Hα-helixtrans-68.3-38.3-178.600000112.6V339 F342 K343 S349 V350 E351V339-A353 HydrophobicContact CG1-CB 4.26Å; F342-A353 HydrophobicContact CD1-CB 3.85Å; F342-A353 HydrophobicContact CE1-CB 4.3Å; K343-A353 HydrophobicContact CB-CB 3.9Å; S349-A353 PolarHBondContact O-N 3.43Å; V350-A353 PolarHBondContact O-N 2.85Å; E351-A353 VanDerWaalsContact C-N 3.28Å; E351-A353 PolarHBondContact O-N 3.06Å
354L98.8Very high98.1Very high0 Ų028 Ų280%016%0.158CC..Hα-helixtrans-73.7-39.2177.1-64.8172.2000111.5L21 I62 A64 F67 V339 V350 E351 A356 A357 A358 L385L21-L354 HydrophobicContact CD2-CB 3.54Å; L21-L354 HydrophobicContact CD2-CD1 4.03Å; L21-L354 HydrophobicContact CD2-CG 4.45Å; I62-L354 HydrophobicContact CG2-CD1 3.99Å; A64-L354 HydrophobicContact CB-CB 4.47Å; A64-L354 HydrophobicContact CB-CD1 3.93Å; A64-L354 HydrophobicContact CB-CD2 4.23Å; A64-L354 HydrophobicContact CB-CG 4.44Å; F67-L354 HydrophobicContact CE1-CD2 3.77Å; F67-L354 HydrophobicContact CZ-CD2 3.92Å; V339-L354 HydrophobicContact CG1-CD2 4.07Å; V350-L354 HydrophobicContact CG1-CD1 3.55Å; V350-L354 HydrophobicContact CG1-CG 4.17Å; V350-L354 VanDerWaalsContact O-CG 3.26Å; V350-L354 WeakPolarHBondContact O-CG 3.31Å; V350-L354 PolarHBondContact O-N 3.04Å; E351-L354 PolarHBondContact O-N 2.57Å; L354-A356 VanDerWaalsContact C-N 3.33Å; L354-A356 PolarHBondContact O-N 3.05Å; L354-A357 PolarHBondContact O-N 3.07Å; L354-A358 WeakPolarHBondContact O-CB 3.22Å; L354-A358 PolarHBondContact O-N 3.43Å; L354-A358 VanDerWaalsContact O-N 3.11Å; L354-L385 HydrophobicContact CD1-CD1 4.37Å; L354-L385 HydrophobicContact CD2-CD1 3.41Å; L354-L385 VanDerWaalsContact CD2-CD1 3.41Å
355E98.8Very high98.1Very high17 Ų1721.8 Ų21.88%0.07913%0.13CC..Hα-helixtrans-65.1-36.9176.5-73.5-171.4174.900112.4L21 H24 E351 A357 A358 L359 H360L21-E355 HydrophobicContact CD2-CG 4.24Å; H24-E355 VanDerWaalsContact CA-OE1 3.23Å; H24-E355 WeakPolarHBondContact CA-OE1 3.41Å; H24-E355 IonicContact CE1-OE1 2.88Å; H24-E355 IonicContact CE1-OE2 3.6Å; H24-E355 IonicContact CG-OE1 2.8Å; H24-E355 IonicContact ND1-OE1 3.95Å; H24-E355 PolarHBondContact ND1-OE1 2.83Å; H24-E355 IonicContact ND1-OE2 3.31Å; H24-E355 PolarHBondContact ND1-OE2 3.27Å; E351-E355 WeakPolarHBondContact O-CB 3.37Å; E351-E355 WeakPolarHBondContact O-CG 3.07Å; E351-E355 PolarHBondContact O-N 3.12Å; E355-A357 PolarHBondContact O-N 3.11Å; E355-A358 CarbonylContact O-C 3.48Å; E355-A358 PolarHBondContact O-N 3.02Å; E355-L359 HydrophobicContact CB-CB 4.02Å; E355-L359 HydrophobicContact CB-CD2 4.49Å; E355-L359 HydrophobicContact CG-CB 4.08Å; E355-L359 HydrophobicContact CG-CD2 4.08Å; E355-L359 PolarHBondContact O-N 3.24Å; E355-H360 PolarHBondContact O-N 3.08Å
356A98.8Very high98.2Very high1 Ų123.8 Ų23.81%0.00815%0.152CC..Hα-helixtrans-62.6-26.9174.400000113.6L289 V290 L291 F342 D352 L354 P361L289-A356 HydrophobicContact CD2-CB 3.66Å; V290-A356 WeakPolarHBondContact CA-O 3.46Å; L291-A356 HydrophobicContact CD1-CB 4.11Å; L291-A356 HydrophobicContact CG-CB 3.9Å; L291-A356 PolarHBondContact N-O 3.34Å; F342-A356 HydrophobicContact CE1-CB 4.1Å; D352-A356 WeakPolarHBondContact O-CB 3.25Å; D352-A356 PolarHBondContact O-N 3.49Å; L354-A356 VanDerWaalsContact C-N 3.33Å; L354-A356 PolarHBondContact O-N 3.05Å; A356-P361 WeakPolarHBondContact O-CD 3.24Å
357A98.9Very high98.3Very high0 Ų025.1 Ų25.10%016%0.158CC..Hα-helixtrans-95.2-8176.400000114F67 I68 L291 M335 V339 L354 E355F67-A357 CarbonylContact C-O 3.56Å; F67-A357 VanDerWaalsContact CA-O 3.32Å; F67-A357 WeakPolarHBondContact CA-O 3.31Å; F67-A357 HydrophobicContact CB-CB 4.3Å; F67-A357 HydrophobicContact CD1-CB 3.67Å; F67-A357 HydrophobicContact CE1-CB 4.17Å; F67-A357 HydrophobicContact CG-CB 4.04Å; I68-A357 PolarHBondContact N-O 3.38Å; L291-A357 HydrophobicContact CB-CB 4.44Å; L291-A357 HydrophobicContact CD1-CB 4.2Å; M335-A357 HydrophobicContact CG-CB 4.3Å; M335-A357 HydrophobicContact SD-CB 3.94Å; V339-A357 HydrophobicContact CG2-CB 3.55Å; L354-A357 PolarHBondContact O-N 3.07Å; E355-A357 PolarHBondContact O-N 3.11Å
358A98.8Very high98.4Very high1 Ų124 Ų241%0.00814%0.14CC..THydrogen-bonded Turntrans-135.4-65.1-173.700000113.2P65 L354 E355 P361 A362 G372P65-A358 HydrophobicContact CB-CB 4.04Å; P65-A358 HydrophobicContact CG-CB 4.29Å; L354-A358 WeakPolarHBondContact O-CB 3.22Å; L354-A358 PolarHBondContact O-N 3.43Å; L354-A358 VanDerWaalsContact O-N 3.11Å; E355-A358 CarbonylContact O-C 3.48Å; E355-A358 PolarHBondContact O-N 3.02Å; A358-P361 WeakPolarHBondContact O-CD 3.08Å; A358-P361 WeakPolarHBondContact O-CG 3.38Å; A358-A362 VanDerWaalsContact O-CB 3.31Å; A358-A362 WeakPolarHBondContact O-CB 3.47Å; A358-A362 PolarHBondContact O-N 3.39Å; A358-A362 VanDerWaalsContact O-N 3.13Å; A358-G372 WeakPolarHBondContact O-CA 3.43Å
359L98.8Very high98.4Very high14 Ų1429.8 Ų29.87%0.07317%0.165CC..Hα-helixtrans-67-46.3-175.1-179.158.9000112.6E355 A362 R363 G372E355-L359 HydrophobicContact CB-CB 4.02Å; E355-L359 HydrophobicContact CB-CD2 4.49Å; E355-L359 HydrophobicContact CG-CB 4.08Å; E355-L359 HydrophobicContact CG-CD2 4.08Å; E355-L359 PolarHBondContact O-N 3.24Å; L359-A362 PolarHBondContact O-N 2.8Å; L359-R363 HydrophobicContact CD1-CG 4.24Å; L359-R363 WeakPolarHBondContact O-CG 3.49Å; L359-R363 PolarHBondContact O-N 3.29Å; L359-G372 WeakPolarHBondContact CA-O 3.37Å; L359-G372 VanDerWaalsContact CB-O 3.27Å; L359-G372 WeakPolarHBondContact CB-O 3.48Å; L359-G372 PolarHBondContact N-O 3.3Å
360H98.8Very high98.3Very high9 Ų931.3 Ų31.34%0.04216%0.164CC..Hα-helixtrans-64.4-49.1-177.9-60.1172000112.4F263 P286 L289 V290 E355 A362 R363 L364F263-H360 HydrophobicContact CD1-CB 4.35Å; F263-H360 HydrophobicContact CE1-CB 4.28Å; P286-H360 PolarHBondContact O-CE1 3.44Å; L289-H360 WeakPolarHBondContact O-CB 3.4Å; L289-H360 PolarHBondContact O-ND1 3.21Å; V290-H360 HydrophobicContact CG2-CB 3.91Å; E355-H360 PolarHBondContact O-N 3.08Å; H360-A362 VanDerWaalsContact C-N 3.3Å; H360-A362 PolarHBondContact O-N 3.32Å; H360-R363 PolarHBondContact O-N 3.22Å; H360-L364 WeakPolarHBondContact O-CB 3.48Å; H360-L364 PolarHBondContact O-N 3.43Å
361P98.8Very high98.3Very high0 Ų030.4 Ų30.40%016%0.157CC..Hα-helixtrans-62.3-34.217319.3-29.2000113I68 V70 V290 A356 A358 L364 L365I68-P361 HydrophobicContact CB-CB 3.92Å; I68-P361 HydrophobicContact CB-CG 3.83Å; I68-P361 HydrophobicContact CG2-CB 3.98Å; I68-P361 HydrophobicContact CG2-CG 4.46Å; V70-P361 HydrophobicContact CG1-CB 3.73Å; V290-P361 HydrophobicContact CG1-CB 3.8Å; V290-P361 HydrophobicContact CG1-CG 4.18Å; A356-P361 WeakPolarHBondContact O-CD 3.24Å; A358-P361 WeakPolarHBondContact O-CD 3.08Å; A358-P361 WeakPolarHBondContact O-CG 3.38Å; P361-L364 WeakPolarHBondContact O-CB 3.4Å; P361-L364 PolarHBondContact O-N 3.22Å; P361-L365 PolarHBondContact O-N 3.21Å; P361-L365 VanDerWaalsContact O-N 3.08Å
362A98.8Very high98.2Very high0 Ų028.6 Ų28.60%015%0.151CC..Hα-helixtrans-66-38.4174.400000112.8I68 A358 L359 H360 G366 I367 S368 K371I68-A362 HydrophobicContact CD1-CB 3.74Å; A358-A362 VanDerWaalsContact O-CB 3.31Å; A358-A362 WeakPolarHBondContact O-CB 3.47Å; A358-A362 PolarHBondContact O-N 3.39Å; A358-A362 VanDerWaalsContact O-N 3.13Å; L359-A362 PolarHBondContact O-N 2.8Å; H360-A362 VanDerWaalsContact C-N 3.3Å; H360-A362 PolarHBondContact O-N 3.32Å; A362-G366 PolarHBondContact O-N 2.92Å; A362-G366 VanDerWaalsContact O-N 3.17Å; A362-I367 HydrophobicContact CB-CG1 4.06Å; A362-I367 WeakPolarHBondContact O-CG1 3.22Å; A362-I367 PolarHBondContact O-N 2.95Å; A362-S368 PolarHBondContact O-N 3.19Å; A362-K371 WeakPolarHBondContact CB-O 3.28Å
363R98.6Very high98.1Very high100 Ų10026.4 Ų26.438%0.37714%0.14SC..Hα-helixtrans-68.5-41.2174.5-75.3176.6172.4168.2-0.9111.6F263 L359 H360 L365 G366F263-R363 HydrophobicContact CE1-CB 4.18Å; F263-R363 HydrophobicContact CE2-CB 4.43Å; F263-R363 HydrophobicContact CZ-CB 3.63Å; L359-R363 HydrophobicContact CD1-CG 4.24Å; L359-R363 WeakPolarHBondContact O-CG 3.49Å; L359-R363 PolarHBondContact O-N 3.29Å; H360-R363 PolarHBondContact O-N 3.22Å; R363-L365 VanDerWaalsContact C-N 3.31Å; R363-L365 PolarHBondContact O-N 3.23Å; R363-G366 PolarHBondContact O-N 2.83Å; R363-G366 VanDerWaalsContact O-N 3.15Å
364L98.6Very high98.1Very high12 Ų1226.5 Ų26.56%0.06314%0.14CC..Hα-helixtrans-53.4-49.4174.3167.661.3000111.3V70 T206 F229 F263 V290 H360 P361 G366V70-L364 HydrophobicContact CG2-CD2 4.26Å; T206-L364 HydrophobicContact CG2-CD1 3.66Å; T206-L364 HydrophobicContact CG2-CG 4.32Å; F229-L364 HydrophobicContact CB-CD1 3.87Å; F229-L364 HydrophobicContact CD1-CD2 4.19Å; F229-L364 HydrophobicContact CD2-CD1 3.93Å; F229-L364 HydrophobicContact CD2-CD2 3.54Å; F229-L364 HydrophobicContact CD2-CG 4.37Å; F229-L364 HydrophobicContact CE1-CD2 4.25Å; F229-L364 HydrophobicContact CE2-CD2 3.59Å; F229-L364 HydrophobicContact CG-CD1 4.05Å; F229-L364 HydrophobicContact CG-CD2 3.86Å; F229-L364 HydrophobicContact CZ-CD2 3.96Å; F263-L364 HydrophobicContact CB-CB 4.46Å; F263-L364 HydrophobicContact CB-CD1 4.13Å; F263-L364 HydrophobicContact CD2-CB 3.95Å; F263-L364 HydrophobicContact CD2-CD1 3.94Å; F263-L364 HydrophobicContact CE2-CB 4.33Å; F263-L364 HydrophobicContact CG-CB 4.09Å; F263-L364 HydrophobicContact CG-CD1 4.32Å; V290-L364 HydrophobicContact CG2-CD2 4.38Å; H360-L364 WeakPolarHBondContact O-CB 3.48Å; H360-L364 PolarHBondContact O-N 3.43Å; P361-L364 WeakPolarHBondContact O-CB 3.4Å; P361-L364 PolarHBondContact O-N 3.22Å; L364-G366 VanDerWaalsContact C-N 3.3Å; L364-G366 PolarHBondContact O-N 3.37Å
365L98.4Very high97.9Very high30 Ų3030.6 Ų30.616%0.15716%0.16CC..THydrogen-bonded Turntrans-841.4-178.2-62.3178.8000113.9V70 L138 A182 P361 R363 I367V70-L365 HydrophobicContact CG1-CD1 3.86Å; V70-L365 HydrophobicContact CG1-CG 4.33Å; L138-L365 HydrophobicContact CB-CD1 4.35Å; L138-L365 HydrophobicContact CD1-CD1 3.64Å; A182-L365 HydrophobicContact CB-CD2 4.4Å; P361-L365 PolarHBondContact O-N 3.21Å; P361-L365 VanDerWaalsContact O-N 3.08Å; R363-L365 VanDerWaalsContact C-N 3.31Å; R363-L365 PolarHBondContact O-N 3.23Å; L365-I367 VanDerWaalsContact C-N 3.28Å; L365-I367 HydrophobicContact CB-CD1 4.28Å; L365-I367 HydrophobicContact CB-CG1 4.14Å; L365-I367 HydrophobicContact CD1-CD1 4.39Å; L365-I367 PolarHBondContact O-N 3.45Å
366G97.5Very high97.8Very high52 Ų5234.6 Ų34.654%0.53618%0.175SC..THydrogen-bonded Turntrans70.817.7-179.600000115.1A362 R363 L364 H369A362-G366 PolarHBondContact O-N 2.92Å; A362-G366 VanDerWaalsContact O-N 3.17Å; R363-G366 PolarHBondContact O-N 2.83Å; R363-G366 VanDerWaalsContact O-N 3.15Å; L364-G366 VanDerWaalsContact C-N 3.3Å; L364-G366 PolarHBondContact O-N 3.37Å; G366-H369 PolarHBondContact O-ND1 2.71Å
367I97.9Very high97.7Very high34 Ų3436.7 Ų36.717%0.17420%0.196CC..  trans-107.510-176.264.7176.7000113.6I68 L138 A362 L365 H369 R370 K371I68-I367 HydrophobicContact CD1-CD1 4.41Å; L138-I367 HydrophobicContact CD1-CD1 3.78Å; L138-I367 HydrophobicContact CD2-CD1 3.98Å; A362-I367 HydrophobicContact CB-CG1 4.06Å; A362-I367 WeakPolarHBondContact O-CG1 3.22Å; A362-I367 PolarHBondContact O-N 2.95Å; L365-I367 VanDerWaalsContact C-N 3.28Å; L365-I367 HydrophobicContact CB-CD1 4.28Å; L365-I367 HydrophobicContact CB-CG1 4.14Å; L365-I367 HydrophobicContact CD1-CD1 4.39Å; L365-I367 PolarHBondContact O-N 3.45Å; I367-H369 PolarHBondContact O-N 3.38Å; I367-R370 HydrophobicContact CB-CG 4.31Å; I367-R370 VanDerWaalsContact O-CG 3.25Å; I367-R370 WeakPolarHBondContact O-CG 3.37Å; I367-R370 PolarHBondContact O-N 2.87Å; I367-K371 HydrophobicContact CD1-CB 4.36Å; I367-K371 HydrophobicContact CD1-CD 4.29Å; I367-K371 HydrophobicContact CG1-CB 4.49Å; I367-K371 PolarHBondContact O-N 3.25Å
368S97.3Very high97.6Very high44 Ų4436.8 Ų36.831%0.30820%0.197SC..THydrogen-bonded Turntrans-63-15.6-177.4640000114.9A362 R370 K371A362-S368 PolarHBondContact O-N 3.19Å; S368-R370 PolarHBondContact O-N 3.34Å; S368-K371 VanDerWaalsContact CA-O 3.3Å; S368-K371 WeakPolarHBondContact CA-O 3.39Å
369H96.2Very high97.6Very high139 Ų13937.3 Ų37.364%0.64420%0.2SC*.THydrogen-bonded Turntrans-70.3-16.4173.365.6-87.1000112.9G366 I367G366-H369 PolarHBondContact O-ND1 2.71Å; I367-H369 PolarHBondContact O-N 3.38Å
370R96.8Very high97.6Very high74 Ų7436.6 Ų36.628%0.27920%0.196SC..THydrogen-bonded Turntrans-131-25.7-178.259.9173.3-60.8-178-1.6114.7N129 I367 S368 D379N129-R370 PolarHBondContact OD1-NH2 3.02Å; I367-R370 HydrophobicContact CB-CG 4.31Å; I367-R370 VanDerWaalsContact O-CG 3.25Å; I367-R370 WeakPolarHBondContact O-CG 3.37Å; I367-R370 PolarHBondContact O-N 2.87Å; S368-R370 PolarHBondContact O-N 3.34Å; R370-D379 IonicContact CZ-OD2 3.75Å; R370-D379 IonicContact NE-OD1 2.68Å; R370-D379 IonicContact NE-OD2 2.93Å; R370-D379 PolarHBondContact NE-OD2 3.44Å; R370-D379 IonicContact NH2-OD1 3.73Å; R370-D379 IonicContact NH2-OD2 3.66Å; R370-D379 PolarHBondContact NH2-OD2 2.86Å; R370-D379 WeakPolarHBondContact O-CB 3.48Å; R370-D379 PolarHBondContact O-N 3.48Å
371K98.1Very high97.5Very high8 Ų836.6 Ų36.64%0.03520%0.196CC..SBendtrans-130.3165.9179.7-65.8-167.1-176.4-54.60111.3I68 S105 L138 A362 I367 S368 S373 D379 D381I68-K371 HydrophobicContact CD1-CB 4.21Å; S105-K371 WeakPolarHBondContact OG-CE 3.46Å; L138-K371 HydrophobicContact CD2-CD 4.46Å; A362-K371 WeakPolarHBondContact CB-O 3.28Å; I367-K371 HydrophobicContact CD1-CB 4.36Å; I367-K371 HydrophobicContact CD1-CD 4.29Å; I367-K371 HydrophobicContact CG1-CB 4.49Å; I367-K371 PolarHBondContact O-N 3.25Å; S368-K371 VanDerWaalsContact CA-O 3.3Å; S368-K371 WeakPolarHBondContact CA-O 3.39Å; K371-S373 PolarHBondContact O-N 3.02Å; K371-D379 HydrophobicContact CG-CB 4.45Å; K371-D379 IonicContact NZ-OD2 3.23Å; K371-D379 PolarHBondContact NZ-OD2 3.5Å; K371-D381 IonicContact NZ-OD2 3.9Å; K371-D381 PolarHBondContact NZ-OD2 3.35Å
372G97.4Very high97.5Very high6 Ų636.6 Ų36.66%0.06220%0.196CC..SBendtrans75.63.7174.600000115.4A358 L359A358-G372 WeakPolarHBondContact O-CA 3.43Å; L359-G372 WeakPolarHBondContact CA-O 3.37Å; L359-G372 VanDerWaalsContact CB-O 3.27Å; L359-G372 WeakPolarHBondContact CB-O 3.48Å; L359-G372 PolarHBondContact N-O 3.3Å
373S96.5Very high97.5Very high14 Ų1436.6 Ų36.610%0.09820%0.196CC..SBendtrans-145.5160.6171.668.40000110K371 H375K371-S373 PolarHBondContact O-N 3.02Å; S373-H375 PolarHBondContact OG-CD2 2.9Å; S373-H375 VanDerWaalsContact OG-CD2 3.22Å
374L97.2Very high97.5Very high1 Ų132.2 Ų32.21%0.00518%0.18CC..  trans-98.527.2175.9-58.2-175.6000112.6I20 R22 I38 V63 P65 L382I20-L374 HydrophobicContact CG2-CB 4.25Å; I20-L374 HydrophobicContact CG2-CD1 3.47Å; I20-L374 VanDerWaalsContact CG2-CD1 3.47Å; I20-L374 HydrophobicContact CG2-CG 4.48Å; R22-L374 PolarHBondContact NH1-O 3.25Å; R22-L374 PolarHBondContact NH2-O 2.87Å; I38-L374 HydrophobicContact CD1-CB 3.95Å; I38-L374 HydrophobicContact CD1-CD2 3.73Å; I38-L374 HydrophobicContact CD1-CG 4.46Å; V63-L374 HydrophobicContact CG1-CD1 3.97Å; V63-L374 WeakPolarHBondContact O-CD1 3.48Å; P65-L374 HydrophobicContact CB-CD2 4.06Å; P65-L374 HydrophobicContact CB-CG 4.48Å; P65-L374 HydrophobicContact CG-CD2 4.06Å; P65-L374 HydrophobicContact CG-CG 3.93Å; L374-L382 HydrophobicContact CD2-CD2 3.36Å
375H95.3Very high97.5Very high87 Ų8731.7 Ų31.740%0.40318%0.177SC..  trans-65.9154.9177.5-71-59.5000112.2S373 G377 A378S373-H375 PolarHBondContact OG-CD2 2.9Å; S373-H375 VanDerWaalsContact OG-CD2 3.22Å; H375-G377 PolarHBondContact O-N 2.99Å; H375-A378 WeakPolarHBondContact O-CB 3.2Å; H375-A378 PolarHBondContact O-N 3.32Å; H375-A378 VanDerWaalsContact O-N 3.1Å
376Y96.3Very high97.5Very high101 Ų10132.9 Ų32.940%0.39618%0.184SC..THydrogen-bonded Turntrans-61.2136.5177.2-52.3-44.3000110.9R22 I38 L39 D40 P41 A378R22-Y376 VanDerWaalsContact NH1-CD1 3.27Å; I38-Y376 HydrophobicContact CG2-CD1 4.14Å; L39-Y376 WeakPolarHBondContact O-CD1 3.32Å; L39-Y376 VanDerWaalsContact O-CE1 3.28Å; L39-Y376 WeakPolarHBondContact O-CE1 3.48Å; D40-Y376 HydrophobicContact CB-CD1 4.28Å; D40-Y376 HydrophobicContact CB-CD2 3.82Å; D40-Y376 HydrophobicContact CB-CE2 4.28Å; D40-Y376 HydrophobicContact CB-CG 3.82Å; P41-Y376 VanDerWaalsContact CD-CE1 3.47Å; P41-Y376 VanDerWaalsContact CD-CZ 3.46Å; P41-Y376 WeakPolarHBondContact CD-OH 3.45Å; Y376-A378 VanDerWaalsContact C-N 3.28Å; Y376-A378 PolarHBondContact O-N 3.06Å
377G96.3Very high97.5Very high45 Ų4536.2 Ų36.246%0.46419%0.19SC..THydrogen-bonded Turntrans82.7-9.5-174.100000115.3K37 I38 H375K37-G377 WeakPolarHBondContact CD-O 3.23Å; K37-G377 PolarHBondContact NZ-O 3.39Å; I38-G377 PolarHBondContact O-N 2.83Å; H375-G377 PolarHBondContact O-N 2.99Å
378A97.6Very high97.5Very high2 Ų236.7 Ų36.72%0.01720%0.203CC..SBendtrans-67.9157.9172.600000111.4K37 I38 H375 Y376 A380K37-A378 WeakPolarHBondContact CA-O 3.47Å; I38-A378 HydrophobicContact CD1-CB 4.34Å; I38-A378 PolarHBondContact N-O 2.8Å; H375-A378 WeakPolarHBondContact O-CB 3.2Å; H375-A378 PolarHBondContact O-N 3.32Å; H375-A378 VanDerWaalsContact O-N 3.1Å; Y376-A378 VanDerWaalsContact C-N 3.28Å; Y376-A378 PolarHBondContact O-N 3.06Å; A378-A380 PolarHBondContact O-N 3.37Å
379D98.3Very high97.6Very high11 Ų1134.7 Ų34.76%0.05919%0.189CC..BIsolated β-bridgetrans-59.8132.3171.5-62-14.5000108.7K37 R370 K371 D381K37-D379 IonicContact NZ-OD1 3.32Å; K37-D379 PolarHBondContact NZ-OD1 3.31Å; R370-D379 IonicContact CZ-OD2 3.75Å; R370-D379 IonicContact NE-OD1 2.68Å; R370-D379 IonicContact NE-OD2 2.93Å; R370-D379 PolarHBondContact NE-OD2 3.44Å; R370-D379 IonicContact NH2-OD1 3.73Å; R370-D379 IonicContact NH2-OD2 3.66Å; R370-D379 PolarHBondContact NH2-OD2 2.86Å; R370-D379 WeakPolarHBondContact O-CB 3.48Å; R370-D379 PolarHBondContact O-N 3.48Å; K371-D379 HydrophobicContact CG-CB 4.45Å; K371-D379 IonicContact NZ-OD2 3.23Å; K371-D379 PolarHBondContact NZ-OD2 3.5Å; D379-D381 PolarHBondContact O-N 2.99Å
380A98.2Very high97.6Very high0 Ų035.1 Ų35.10%019%0.185CC..  trans-78.454.8176.500000111.3V33 G36 I38 A378 S397 G398V33-A380 HydrophobicContact CB-CB 4.27Å; V33-A380 HydrophobicContact CG1-CB 3.44Å; V33-A380 VanDerWaalsContact CG1-CB 3.44Å; V33-A380 HydrophobicContact CG2-CB 3.74Å; G36-A380 WeakPolarHBondContact O-CB 3.46Å; G36-A380 PolarHBondContact O-N 3.35Å; I38-A380 HydrophobicContact CG1-CB 4.12Å; A378-A380 PolarHBondContact O-N 3.37Å; A380-S397 PolarHBondContact O-N 2.92Å; A380-G398 PolarHBondContact O-N 3.19Å
381D98.6Very high97.7Very high8 Ų832.3 Ų32.34%0.04318%0.175CC..  trans-91109.2171.1-66.1-3.9000107.3G66 T104 K371 D379 Y395 I396 S397G66-D381 PolarHBondContact N-O 3.09Å; T104-D381 HydrophobicContact CG2-CB 4.22Å; K371-D381 IonicContact NZ-OD2 3.9Å; K371-D381 PolarHBondContact NZ-OD2 3.35Å; D379-D381 PolarHBondContact O-N 2.99Å; D381-Y395 CarbonylContact C-O 3.59Å; D381-Y395 WeakPolarHBondContact CA-O 3.08Å; D381-I396 WeakPolarHBondContact OD1-CA 3.47Å; D381-I396 WeakPolarHBondContact OD1-CG2 3.25Å; D381-S397 PolarHBondContact OD1-N 3.43Å
382L98.6Very high97.7Very high0 Ų036.4 Ų36.40%019%0.191CC..EExtended strand (participates in β ladder)trans-128.1147.4-166.6-43.4171.5000110.6F15 L31 I38 V63 A64 L374 L384 Y395F15-L382 HydrophobicContact CE1-CD1 4.3Å; F15-L382 HydrophobicContact CE2-CD1 4.03Å; F15-L382 HydrophobicContact CZ-CD1 3.88Å; L31-L382 HydrophobicContact CD2-CD1 3.53Å; L31-L382 HydrophobicContact CD2-CD2 3.76Å; L31-L382 HydrophobicContact CD2-CG 4.32Å; I38-L382 HydrophobicContact CD1-CD2 4.43Å; V63-L382 HydrophobicContact CG1-CB 4.4Å; V63-L382 HydrophobicContact CG1-CD2 4.4Å; A64-L382 WeakPolarHBondContact O-CA 3.32Å; L374-L382 HydrophobicContact CD2-CD2 3.36Å; L382-L384 HydrophobicContact CB-CD1 4.39Å; L382-Y395 HydrophobicContact CB-CD2 4.49Å; L382-Y395 PolarHBondContact N-O 3.16Å; L382-Y395 PolarHBondContact O-N 3.48Å
383V98.7Very high97.8Very high0 Ų036.5 Ų36.50%019%0.19CC..EExtended strand (participates in β ladder)trans-121.8128.4165.167.40000109A64 F67 L385 V391A64-V383 HydrophobicContact CB-CG1 3.8Å; A64-V383 PolarHBondContact N-O 3.39Å; A64-V383 PolarHBondContact O-N 2.86Å; F67-V383 HydrophobicContact CD1-CG1 4.33Å; F67-V383 HydrophobicContact CE1-CG1 3.8Å; F67-V383 HydrophobicContact CE2-CG1 4.4Å; F67-V383 HydrophobicContact CE2-CG2 4.46Å; F67-V383 HydrophobicContact CZ-CG1 3.83Å; V383-L385 HydrophobicContact CG1-CD1 4.15Å; V383-L385 HydrophobicContact CG1-CG 4.29Å; V383-L385 HydrophobicContact CG2-CD2 3.96Å; V383-L385 HydrophobicContact CG2-CG 4.17Å; V383-V391 HydrophobicContact CG2-CB 4.46Å; V383-V391 HydrophobicContact CG2-CG1 3.73Å; V383-V391 HydrophobicContact CG2-CG2 4.1Å
384L98.7Very high97.9Very high9 Ų935.8 Ų35.85%0.04719%0.185CC..EExtended strand (participates in β ladder)trans-99.5125.5173.8-84.265.6000108.7C58 A61 I62 V63 L382 R392 T393 Y395C58-L384 HydrophobicContact CB-CD2 4.35Å; A61-L384 HydrophobicContact CB-CB 4.47Å; I62-L384 CarbonylContact O-C 3.46Å; I62-L384 VanDerWaalsContact O-CA 3.31Å; I62-L384 WeakPolarHBondContact O-CA 3.1Å; V63-L384 HydrophobicContact CG1-CD1 4.35Å; V63-L384 HydrophobicContact CG2-CD1 4.1Å; V63-L384 HydrophobicContact CG2-CG 3.99Å; L382-L384 HydrophobicContact CB-CD1 4.39Å; L384-R392 WeakPolarHBondContact O-CB 2.98Å; L384-R392 PolarHBondContact O-N 3.18Å; L384-T393 WeakPolarHBondContact CB-OG1 3.4Å; L384-T393 PolarHBondContact N-O 2.87Å; L384-T393 PolarHBondContact O-N 2.96Å; L384-Y395 HydrophobicContact CD1-CD2 3.85Å; L384-Y395 HydrophobicContact CD1-CE2 3.78Å; L384-Y395 HydrophobicContact CD2-CE2 4.27Å
385L98.7Very high98Very high0 Ų036.2 Ų36.20%019%0.187CC..EExtended strand (participates in β ladder)trans-122.5148.9-172.7-59.4160.5000111A61 I62 A64 F67 L354 V383 L389 R390 V391A61-L385 WeakPolarHBondContact CA-O 3.45Å; A61-L385 WeakPolarHBondContact CB-O 3.38Å; I62-L385 HydrophobicContact CB-CB 4.21Å; I62-L385 HydrophobicContact CG2-CD1 4.45Å; I62-L385 PolarHBondContact N-O 3.42Å; I62-L385 PolarHBondContact O-N 3.37Å; A64-L385 HydrophobicContact CB-CD1 4.42Å; F67-L385 HydrophobicContact CZ-CD1 4.23Å; F67-L385 HydrophobicContact CZ-CD2 4.43Å; L354-L385 HydrophobicContact CD1-CD1 4.37Å; L354-L385 HydrophobicContact CD2-CD1 3.41Å; L354-L385 VanDerWaalsContact CD2-CD1 3.41Å; V383-L385 HydrophobicContact CG1-CD1 4.15Å; V383-L385 HydrophobicContact CG1-CG 4.29Å; V383-L385 HydrophobicContact CG2-CD2 3.96Å; V383-L385 HydrophobicContact CG2-CG 4.17Å; L385-L389 HydrophobicContact CD1-CD2 4.42Å; L385-R390 VanDerWaalsContact CA-O 3.29Å; L385-R390 WeakPolarHBondContact CA-O 3.35Å; L385-V391 HydrophobicContact CD2-CB 4.43Å; L385-V391 HydrophobicContact CD2-CG2 3.9Å
386D98Very high98.1Very high55 Ų5532.1 Ų32.129%0.29417%0.168SC..  trans-78.4178.9164.973.411000112.2G388 L389 R390 R392D386-G388 PolarHBondContact O-N 3.25Å; D386-G388 VanDerWaalsContact OD1-C 3.24Å; D386-G388 WeakPolarHBondContact OD1-CA 3.28Å; D386-G388 PolarHBondContact OD1-N 2.9Å; D386-L389 PolarHBondContact O-N 3.1Å; D386-L389 PolarHBondContact OD1-N 3.14Å; D386-R390 PolarHBondContact N-O 2.99Å; D386-R390 WeakPolarHBondContact OD1-CB 3.38Å; D386-R390 PolarHBondContact OD1-N 3.24Å; D386-R392 HydrophobicContact CB-CG 4.42Å
387D97.3Very high98.2Very high123 Ų12329.6 Ų29.666%0.65817%0.165SC*.THydrogen-bonded Turntrans-64.7-19.1177.3-76.1-37.1000113.9R19 L389R19-D387 IonicContact CZ-OD1 3.68Å; R19-D387 IonicContact NH1-OD1 3.29Å; R19-D387 PolarHBondContact NH1-OD1 2.65Å; R19-D387 IonicContact NH2-OD1 2.75Å; R19-D387 PolarHBondContact NH2-OD1 3Å; R19-D387 IonicContact NH2-OD2 3.88Å; D387-L389 VanDerWaalsContact C-N 3.28Å
388G97.8Very high98.1Very high43 Ų4327.7 Ų27.744%0.44315%0.146SC..THydrogen-bonded Turntrans-85.63172.800000113.6R340 D386 R390R340-G388 WeakPolarHBondContact CD-O 3.45Å; R340-G388 WeakPolarHBondContact CG-O 3.3Å; D386-G388 PolarHBondContact O-N 3.25Å; D386-G388 VanDerWaalsContact OD1-C 3.24Å; D386-G388 WeakPolarHBondContact OD1-CA 3.28Å; D386-G388 PolarHBondContact OD1-N 2.9Å; G388-R390 VanDerWaalsContact C-N 3.25Å; G388-R390 PolarHBondContact O-N 2.76Å
389L98.3Very high98.1Very high3 Ų332.9 Ų32.92%0.01617%0.169CC..  trans57.833.6-171.4-48.8-177.6000113.5I62 V339 R340 K343 V350 L385 D386 D387I62-L389 HydrophobicContact CD1-CD2 3.82Å; V339-L389 HydrophobicContact CG1-CD1 3.96Å; R340-L389 HydrophobicContact CG-CB 3.85Å; K343-L389 HydrophobicContact CD-CD1 3.53Å; K343-L389 HydrophobicContact CD-CG 4.47Å; V350-L389 HydrophobicContact CG1-CD1 4.38Å; V350-L389 HydrophobicContact CG1-CD2 3.66Å; V350-L389 HydrophobicContact CG2-CD2 4.39Å; L385-L389 HydrophobicContact CD1-CD2 4.42Å; D386-L389 PolarHBondContact O-N 3.1Å; D386-L389 PolarHBondContact OD1-N 3.14Å; D387-L389 VanDerWaalsContact C-N 3.28Å
390R98.2Very high98.1Very high148 Ų14836.5 Ų36.556%0.55819%0.186SC*.  trans-87.4137.9169.2-57.7175.7178.4-961109.5L385 D386 G388 R392L385-R390 VanDerWaalsContact CA-O 3.29Å; L385-R390 WeakPolarHBondContact CA-O 3.35Å; D386-R390 PolarHBondContact N-O 2.99Å; D386-R390 WeakPolarHBondContact OD1-CB 3.38Å; D386-R390 PolarHBondContact OD1-N 3.24Å; G388-R390 VanDerWaalsContact C-N 3.25Å; G388-R390 PolarHBondContact O-N 2.76Å; R390-R392 PolarHBondContact O-N 3.45Å
391V98.5Very high98.1Very high14 Ų1437.1 Ų37.19%0.08519%0.19CC..EExtended strand (participates in β ladder)trans-67.6124.3178.6-171.30000109.8D336 V383 L385 W402D336-V391 HydrophobicContact CB-CG2 3.81Å; V383-V391 HydrophobicContact CG2-CB 4.46Å; V383-V391 HydrophobicContact CG2-CG1 3.73Å; V383-V391 HydrophobicContact CG2-CG2 4.1Å; L385-V391 HydrophobicContact CD2-CB 4.43Å; L385-V391 HydrophobicContact CD2-CG2 3.9Å; V391-W402 HydrophobicContact CB-CZ3 4.11Å; V391-W402 HydrophobicContact CG1-CE3 4.04Å; V391-W402 HydrophobicContact CG1-CZ3 3.6Å
392R98.3Very high98.1Very high95 Ų9540 Ų4036%0.35820%0.2SC..EExtended strand (participates in β ladder)trans-97.7-47.4173.1-65.1-17665.3-159.1-3.1111C58 L384 D386 R390 A404C58-R392 PolarHBondContact O-NH1 3.49Å; C58-R392 VanDerWaalsContact O-NH1 3.1Å; L384-R392 WeakPolarHBondContact O-CB 2.98Å; L384-R392 PolarHBondContact O-N 3.18Å; D386-R392 HydrophobicContact CB-CG 4.42Å; R390-R392 PolarHBondContact O-N 3.45Å; R392-A404 PolarHBondContact O-N 2.66Å
393T98.3Very high98Very high7 Ų746.6 Ų46.64%0.04323%0.225CC..EExtended strand (participates in β ladder)trans-149.5150.217944.30000110.5L384 Y395 W402 R403L384-T393 WeakPolarHBondContact CB-OG1 3.4Å; L384-T393 PolarHBondContact N-O 2.87Å; L384-T393 PolarHBondContact O-N 2.96Å; T393-Y395 WeakPolarHBondContact OG1-CE2 3.49Å; T393-W402 WeakPolarHBondContact CA-O 3.34Å; T393-R403 HydrophobicContact CG2-CB 3.81Å; T393-R403 HydrophobicContact CG2-CG 3.69Å
394T98.8Very high97.9Very high0 Ų048.2 Ų48.20%024%0.238CC..EExtended strand (participates in β ladder)trans-122.6133.2176.5-550000108.5L99 T104 V401 W402L99-T394 HydrophobicContact CD2-CG2 4.43Å; L99-T394 WeakPolarHBondContact O-CB 3.36Å; L99-T394 PolarHBondContact O-OG1 3.22Å; T104-T394 HydrophobicContact CG2-CG2 3.67Å; T394-V401 HydrophobicContact CG2-CG2 4.03Å; T394-V401 WeakPolarHBondContact O-CG2 3.33Å; T394-V401 PolarHBondContact O-N 3.18Å; T394-W402 PolarHBondContact N-O 3.06Å; T394-W402 PolarHBondContact O-N 2.91Å
395Y98.7Very high97.3Very high9 Ų957 Ų574%0.03528%0.279CS..EExtended strand (participates in β ladder)trans-119.6142.9177.5-65.1-102.3000110.4F15 L56 D381 L382 L384 T393 E399 E400F15-Y395 HydrophobicContact CE1-CD1 4.3Å; F15-Y395 HydrophobicContact CE1-CD2 4.38Å; F15-Y395 AromaticContact CE1-CE1 3.98Å; F15-Y395 HydrophobicContact CE1-CE1 3.98Å; F15-Y395 HydrophobicContact CE1-CE2 4.02Å; F15-Y395 AromaticContact CE1-CZ 3.87Å; F15-Y395 HydrophobicContact CZ-CD1 4.06Å; F15-Y395 HydrophobicContact CZ-CE1 4.04Å; F15-Y395 HydrophobicContact CZ-CG 4.45Å; L56-Y395 HydrophobicContact CD1-CE1 4.41Å; D381-Y395 CarbonylContact C-O 3.59Å; D381-Y395 WeakPolarHBondContact CA-O 3.08Å; L382-Y395 HydrophobicContact CB-CD2 4.49Å; L382-Y395 PolarHBondContact N-O 3.16Å; L382-Y395 PolarHBondContact O-N 3.48Å; L384-Y395 HydrophobicContact CD1-CD2 3.85Å; L384-Y395 HydrophobicContact CD1-CE2 3.78Å; L384-Y395 HydrophobicContact CD2-CE2 4.27Å; T393-Y395 WeakPolarHBondContact OG1-CE2 3.49Å; Y395-E399 CarbonylContact C-O 3.55Å; Y395-E399 WeakPolarHBondContact CA-O 3.48Å; Y395-E399 WeakPolarHBondContact CB-O 3.33Å; Y395-E399 VanDerWaalsContact CD1-C 3.45Å; Y395-E400 HydrophobicContact CD1-CB 3.98Å; Y395-E400 HydrophobicContact CE1-CB 3.52Å; Y395-E400 HydrophobicContact CE1-CG 4.2Å; Y395-E400 PolarHBondContact OH-OE2 3.18Å
396I98.6Very high95.4Very high1 Ų168.2 Ų68.21%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-128.8130169.3-65.2178.8000107.8L99 T104 G130 D381 G398 E399 V401L99-I396 HydrophobicContact CD2-CD1 3.61Å; T104-I396 HydrophobicContact CG2-CD1 4.3Å; T104-I396 HydrophobicContact CG2-CG1 3.8Å; G130-I396 WeakPolarHBondContact O-CG2 3.42Å; D381-I396 WeakPolarHBondContact OD1-CA 3.47Å; D381-I396 WeakPolarHBondContact OD1-CG2 3.25Å; I396-G398 PolarHBondContact O-N 2.92Å; I396-G398 VanDerWaalsContact O-N 3.15Å; I396-E399 PolarHBondContact N-O 3.38Å; I396-E399 PolarHBondContact O-N 3.07Å; I396-V401 HydrophobicContact CB-CG1 4.04Å; I396-V401 HydrophobicContact CB-CG2 4.42Å; I396-V401 HydrophobicContact CD1-CG2 4.07Å; I396-V401 HydrophobicContact CG1-CG1 4.37Å; I396-V401 HydrophobicContact CG1-CG2 3.9Å
397S96.9Very high95.3Very high49 Ų4968.9 Ų68.934%0.34334%0.34SS..THydrogen-bonded Turntrans5038.1-175.1-57.30000112.8G36 A380 D381 E399G36-S397 VanDerWaalsContact CA-C 3.47Å; G36-S397 WeakPolarHBondContact CA-O 3.43Å; A380-S397 PolarHBondContact O-N 2.92Å; D381-S397 PolarHBondContact OD1-N 3.43Å; S397-E399 PolarHBondContact O-N 2.93Å
398G95.8Very high95.2Very high5 Ų566 Ų665%0.05232%0.323CS..THydrogen-bonded Turntrans75.4-3.3-179.900000115.6A380 I396A380-G398 PolarHBondContact O-N 3.19Å; I396-G398 PolarHBondContact O-N 2.92Å; I396-G398 VanDerWaalsContact O-N 3.15Å
399E96.9Very high95Very high111 Ų11167.3 Ų67.352%0.51932%0.316SS..EExtended strand (participates in β ladder)trans-94.7136.9177.1-61.6-168.716400110.9P132 Y395 I396 S397 V401P132-E399 WeakPolarHBondContact CG-OE2 3.46Å; Y395-E399 CarbonylContact C-O 3.55Å; Y395-E399 WeakPolarHBondContact CA-O 3.48Å; Y395-E399 WeakPolarHBondContact CB-O 3.33Å; Y395-E399 VanDerWaalsContact CD1-C 3.45Å; I396-E399 PolarHBondContact N-O 3.38Å; I396-E399 PolarHBondContact O-N 3.07Å; S397-E399 PolarHBondContact O-N 2.93Å; E399-V401 PolarHBondContact O-N 3.02Å
400E97.8Very high94.8Very high86 Ų8671.1 Ų71.140%0.40233%0.334SS..EExtended strand (participates in β ladder)trans-71.2117.1175.1-175173.8126.800109.5Y395 R403Y395-E400 HydrophobicContact CD1-CB 3.98Å; Y395-E400 HydrophobicContact CE1-CB 3.52Å; Y395-E400 HydrophobicContact CE1-CG 4.2Å; Y395-E400 PolarHBondContact OH-OE2 3.18Å; E400-R403 IonicContact OE1-CZ 3.54Å; E400-R403 IonicContact OE1-NE 2.77Å; E400-R403 PolarHBondContact OE1-NE 3.22Å; E400-R403 IonicContact OE1-NH2 3.47Å; E400-R403 PolarHBondContact OE1-NH2 3.05Å; E400-R403 IonicContact OE2-CZ 3.51Å; E400-R403 IonicContact OE2-NE 3.51Å; E400-R403 IonicContact OE2-NH2 2.69Å; E400-R403 PolarHBondContact OE2-NH2 3.48Å
401V98.4Very high94.6Very high14 Ų1466.3 Ų66.39%0.08532%0.32CS..EExtended strand (participates in β ladder)trans-109.6-15.8-177.4-61.90000113L99 T394 I396 E399L99-V401 HydrophobicContact CD1-CB 3.9Å; L99-V401 HydrophobicContact CD1-CG2 3.8Å; L99-V401 HydrophobicContact CD2-CG2 3.87Å; L99-V401 HydrophobicContact CG-CG2 4.32Å; T394-V401 HydrophobicContact CG2-CG2 4.03Å; T394-V401 WeakPolarHBondContact O-CG2 3.33Å; T394-V401 PolarHBondContact O-N 3.18Å; I396-V401 HydrophobicContact CB-CG1 4.04Å; I396-V401 HydrophobicContact CB-CG2 4.42Å; I396-V401 HydrophobicContact CD1-CG2 4.07Å; I396-V401 HydrophobicContact CG1-CG1 4.37Å; I396-V401 HydrophobicContact CG1-CG2 3.9Å; E399-V401 PolarHBondContact O-N 3.02Å
402W98.4Very high94.4Very high67 Ų6769.7 Ų69.725%0.25434%0.336SS..EExtended strand (participates in β ladder)trans-156.3148.6174.2-176.790.9000111.9L99 E100 V391 T393 T394 A404L99-W402 HydrophobicContact CB-CB 3.93Å; L99-W402 HydrophobicContact CB-CG 4.48Å; E100-W402 VanDerWaalsContact CA-CE2 3.43Å; E100-W402 HydrophobicContact CB-CD2 3.92Å; E100-W402 HydrophobicContact CB-CG 4.22Å; E100-W402 HydrophobicContact CB-CH2 4.31Å; E100-W402 HydrophobicContact CB-CZ2 3.52Å; V391-W402 HydrophobicContact CB-CZ3 4.11Å; V391-W402 HydrophobicContact CG1-CE3 4.04Å; V391-W402 HydrophobicContact CG1-CZ3 3.6Å; T393-W402 WeakPolarHBondContact CA-O 3.34Å; T394-W402 PolarHBondContact N-O 3.06Å; T394-W402 PolarHBondContact O-N 2.91Å; W402-A404 VanDerWaalsContact CH2-CA 3.45Å; W402-A404 HydrophobicContact CH2-CB 3.53Å; W402-A404 HydrophobicContact CZ2-CB 4.29Å; W402-A404 HydrophobicContact CZ3-CB 3.92Å; W402-A404 VanDerWaalsContact CZ3-N 3.33Å
403R97.5Very high94.1Very high140 Ų14067.9 Ų67.953%0.52833%0.334SS..EExtended strand (participates in β ladder)trans-143.7137.1175.3177175.8-69.2-113.9-1.2110.4T393 E400T393-R403 HydrophobicContact CG2-CB 3.81Å; T393-R403 HydrophobicContact CG2-CG 3.69Å; E400-R403 IonicContact OE1-CZ 3.54Å; E400-R403 IonicContact OE1-NE 2.77Å; E400-R403 PolarHBondContact OE1-NE 3.22Å; E400-R403 IonicContact OE1-NH2 3.47Å; E400-R403 PolarHBondContact OE1-NH2 3.05Å; E400-R403 IonicContact OE2-CZ 3.51Å; E400-R403 IonicContact OE2-NE 3.51Å; E400-R403 IonicContact OE2-NH2 2.69Å; E400-R403 PolarHBondContact OE2-NH2 3.48Å
404A95.3Very high93.7Very high33 Ų3372.6 Ų72.627%0.27336%0.356SS..  trans-65.8136.3172.400000110.7R392 W402R392-A404 PolarHBondContact O-N 2.66Å; W402-A404 VanDerWaalsContact CH2-CA 3.45Å; W402-A404 HydrophobicContact CH2-CB 3.53Å; W402-A404 HydrophobicContact CZ2-CB 4.29Å; W402-A404 HydrophobicContact CZ3-CB 3.92Å; W402-A404 VanDerWaalsContact CZ3-N 3.33Å
405E85.8Confident93.3Very high195 Ų19578.7 Ų78.791%0.91139%0.386SS*.  trans-68.1131.5167.4-64.1-177.517600108.9
406L59.8Low92.8Very high234 Ų23485 Ų85100%1.22542%0.418SS*.  trans-73.60-175.8-76169.2000113.2

Retrieved 406 of 406 residues in 501.1 ms (Link to these results)

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