A0A087Y497_POEFO Loading...

Mitogen-activated protein kinase 15

AlphaFold DB , UniProt , Accession A0A087Y497, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 611 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
1M46.4Very low41.7Very low194 Ų194138.1 Ų138.196%0.95665%0.649SS**  02.50-76.1170.2166.300113.1Q4 K5M1-Q4 PolarHBondContact O-N 2.9Å; M1-K5 PolarHBondContact O-N 3.26Å
2D49.4Very low41.9Very low108 Ų108131.9 Ų131.958%0.57863%0.632SS**Hα-helixtrans-90.2-24.3-144-54.2-79.4000113.5Q4 K5 M6D2-Q4 PolarHBondContact O-N 3.4Å; D2-K5 PolarHBondContact O-N 2.94Å; D2-M6 VanDerWaalsContact O-CB 3.28Å; D2-M6 WeakPolarHBondContact O-CB 3.41Å; D2-M6 VanDerWaalsContact O-CG 3.25Å; D2-M6 WeakPolarHBondContact O-CG 3.44Å; D2-M6 PolarHBondContact O-N 3.11Å
3K40.8Very low41.9Very low199 Ų199129.7 Ų129.787%0.86563%0.631SS**Hα-helixtrans-56.2-34.9166.8-69.8-173.8177.5-179.50112S7K3-S7 WeakPolarHBondContact O-CB 3.47Å; K3-S7 PolarHBondContact O-N 3.48Å
4Q39.7Very low42.4Very low147 Ų147128.3 Ų128.369%0.68762%0.62SS**Hα-helixtrans-80.4-36-178.5-141.7171.416.500112.2M1 D2 K8M1-Q4 PolarHBondContact O-N 2.9Å; D2-Q4 PolarHBondContact O-N 3.4Å; Q4-K8 PolarHBondContact O-N 3.45Å
5K38.4Very low43.3Very low158 Ų158124.2 Ų124.269%0.68761%0.606SS**Hα-helixtrans-64.1-43.9167.8-101.5-179.6175.5176.10111.6M1 D2 K8 K9M1-K5 PolarHBondContact O-N 3.26Å; D2-K5 PolarHBondContact O-N 2.94Å; K5-K8 PolarHBondContact O-N 3.08Å; K5-K9 WeakPolarHBondContact O-CB 3.5Å; K5-K9 PolarHBondContact O-N 3.19Å
6M37.3Very low44.5Very low110 Ų110122.5 Ų122.554%0.54261%0.611SS.*Hα-helixtrans-62.3-44.9175.4-75.8-73.3-79.500111.7D2 K9 F10D2-M6 VanDerWaalsContact O-CB 3.28Å; D2-M6 WeakPolarHBondContact O-CB 3.41Å; D2-M6 VanDerWaalsContact O-CG 3.25Å; D2-M6 WeakPolarHBondContact O-CG 3.44Å; D2-M6 PolarHBondContact O-N 3.11Å; M6-K9 PolarHBondContact O-N 3.13Å; M6-F10 HydrophobicContact CE-CE2 4.36Å; M6-F10 WeakPolarHBondContact O-CB 3.27Å; M6-F10 PolarHBondContact O-N 3.37Å
7S42.2Very low46.6Very low61 Ų61117.8 Ų117.843%0.42759%0.586SS.*Hα-helixtrans-59.3-52.4175-159.10000111.1K3 K9 F10 E11K3-S7 WeakPolarHBondContact O-CB 3.47Å; K3-S7 PolarHBondContact O-N 3.48Å; S7-K9 VanDerWaalsContact C-N 3.26Å; S7-K9 PolarHBondContact O-N 3.25Å; S7-F10 CarbonylContact O-C 3.59Å; S7-F10 PolarHBondContact O-N 3.11Å; S7-F10 VanDerWaalsContact O-N 3.07Å; S7-E11 PolarHBondContact O-N 2.94Å
8K42.4Very low48.8Very low163 Ų163112.1 Ų112.171%0.70956%0.559SS**Hα-helixtrans-58.3-35.4177.6-76.8-170.4172.9-172.70113.1Q4 K5 E11 S12Q4-K8 PolarHBondContact O-N 3.45Å; K5-K8 PolarHBondContact O-N 3.08Å; K8-E11 WeakPolarHBondContact O-CB 3.45Å; K8-E11 PolarHBondContact O-N 2.93Å; K8-S12 PolarHBondContact O-N 3.23Å; K8-S12 PolarHBondContact O-OG 3.45Å
9K36.9Very low51Low146 Ų146107.5 Ų107.564%0.63554%0.536SS*.Hα-helixtrans-74.4-31.8176.6-161.9172.3-176.2179.70113K5 M6 S7 S12 V13K5-K9 WeakPolarHBondContact O-CB 3.5Å; K5-K9 PolarHBondContact O-N 3.19Å; M6-K9 PolarHBondContact O-N 3.13Å; S7-K9 VanDerWaalsContact C-N 3.26Å; S7-K9 PolarHBondContact O-N 3.25Å; K9-S12 PolarHBondContact O-OG 3.01Å; K9-V13 VanDerWaalsContact O-CG2 3.28Å; K9-V13 WeakPolarHBondContact O-CG2 3.49Å; K9-V13 PolarHBondContact O-N 3.18Å
10F39.3Very low52.9Low137 Ų137109.5 Ų109.560%0.60154%0.543SS*.Hα-helixtrans-75.6-27169.9-99.2-90.5000113.1M6 S7 K14M6-F10 HydrophobicContact CE-CE2 4.36Å; M6-F10 WeakPolarHBondContact O-CB 3.27Å; M6-F10 PolarHBondContact O-N 3.37Å; S7-F10 CarbonylContact O-C 3.59Å; S7-F10 PolarHBondContact O-N 3.11Å; S7-F10 VanDerWaalsContact O-N 3.07Å; F10-K14 WeakPolarHBondContact O-CD 3.46Å; F10-K14 WeakPolarHBondContact O-CE 3.33Å; F10-K14 WeakPolarHBondContact O-CG 3.41Å
11E45.6Very low54.8Low96 Ų96106.4 Ų106.445%0.44953%0.527SS..Hα-helixtrans-68.4-53.7169.5-123.776.9-101.100110.2S7 K8 V13 K14 V15S7-E11 PolarHBondContact O-N 2.94Å; K8-E11 WeakPolarHBondContact O-CB 3.45Å; K8-E11 PolarHBondContact O-N 2.93Å; E11-V13 VanDerWaalsContact C-N 3.26Å; E11-V13 PolarHBondContact O-N 2.79Å; E11-K14 WeakPolarHBondContact O-CB 3.28Å; E11-K14 PolarHBondContact O-N 2.92Å; E11-K14 IonicContact OE1-NZ 3.32Å; E11-V15 WeakPolarHBondContact O-CG2 3.46Å; E11-V15 PolarHBondContact O-N 3.26Å
12S44.6Very low57.1Low64 Ų6497.2 Ų97.245%0.44848%0.482SS..Hα-helixtrans-60.9-33-175.364.80000113.2K8 K9 K14 V15 S16K8-S12 PolarHBondContact O-N 3.23Å; K8-S12 PolarHBondContact O-OG 3.45Å; K9-S12 PolarHBondContact O-OG 3.01Å; S12-K14 VanDerWaalsContact C-N 3.31Å; S12-K14 PolarHBondContact O-N 3.05Å; S12-V15 PolarHBondContact O-N 2.96Å; S12-S16 PolarHBondContact O-N 3.49Å
13V42.2Very low59.1Low103 Ų10394.5 Ų94.562%0.62447%0.465SS*.Hα-helixtrans-75.6-14.8176.7173.60000113.1K9 E11K9-V13 VanDerWaalsContact O-CG2 3.28Å; K9-V13 WeakPolarHBondContact O-CG2 3.49Å; K9-V13 PolarHBondContact O-N 3.18Å; E11-V13 VanDerWaalsContact C-N 3.26Å; E11-V13 PolarHBondContact O-N 2.79Å
14K47.9Very low61.6Low110 Ų11091.1 Ų91.148%0.47846%0.456SS..Hα-helixtrans-88-12.7168.9-65167.4-167.7163.90113.2F10 E11 S12F10-K14 WeakPolarHBondContact O-CD 3.46Å; F10-K14 WeakPolarHBondContact O-CE 3.33Å; F10-K14 WeakPolarHBondContact O-CG 3.41Å; E11-K14 WeakPolarHBondContact O-CB 3.28Å; E11-K14 PolarHBondContact O-N 2.92Å; E11-K14 IonicContact OE1-NZ 3.32Å; S12-K14 VanDerWaalsContact C-N 3.31Å; S12-K14 PolarHBondContact O-N 3.05Å
15V55.8Low64.3Low67 Ų6789.1 Ų89.141%0.40645%0.445SS..Hα-helixtrans-95.4-27.9-171.5162.70000111.6E11 S12 E17 V18 F23E11-V15 WeakPolarHBondContact O-CG2 3.46Å; E11-V15 PolarHBondContact O-N 3.26Å; S12-V15 PolarHBondContact O-N 2.96Å; V15-E17 PolarHBondContact O-N 3Å; V15-V18 PolarHBondContact O-N 3.43Å; V15-F23 HydrophobicContact CB-CZ 4.31Å; V15-F23 HydrophobicContact CG1-CE1 4.08Å; V15-F23 HydrophobicContact CG1-CE2 4.02Å; V15-F23 HydrophobicContact CG1-CZ 3.5Å
16S62.7Low67.1Low97 Ų9782.1 Ų82.168%0.67841%0.414SS*.THydrogen-bonded Turntrans-68.81.4-178.462.60000116.3S12S12-S16 PolarHBondContact O-N 3.49Å
17E80Confident69.9Low42 Ų4280 Ų8020%0.19640%0.403CS..THydrogen-bonded Turntrans-87.6-7.4174.7-68.7-177.7131.300112.3V15 R31 K34 I39 W41V15-E17 PolarHBondContact O-N 3Å; E17-R31 IonicContact OE1-NH1 3.82Å; E17-R31 IonicContact OE2-CZ 2.77Å; E17-R31 IonicContact OE2-NH1 2.74Å; E17-R31 PolarHBondContact OE2-NH1 2.98Å; E17-K34 IonicContact OE1-NZ 2.72Å; E17-K34 PolarHBondContact OE1-NZ 3.3Å; E17-I39 HydrophobicContact CB-CD1 4.33Å; E17-I39 HydrophobicContact CG-CD1 4.23Å; E17-I39 WeakPolarHBondContact OE1-CD1 3.48Å; E17-I39 WeakPolarHBondContact OE2-CD1 3.39Å; E17-W41 HydrophobicContact CB-CH2 4.14Å; E17-W41 HydrophobicContact CB-CZ2 3.7Å
18V86.4Confident72.4Confident15 Ų1578.7 Ų78.79%0.09139%0.391CS..SBendtrans-122.5147.8-176.7178.50000110.7V15 I22 F23 I28 W41 Y102V15-V18 PolarHBondContact O-N 3.43Å; V18-I22 HydrophobicContact CG1-CB 3.67Å; V18-I22 HydrophobicContact CG1-CG1 4.22Å; V18-I22 HydrophobicContact CG1-CG2 3.78Å; V18-F23 HydrophobicContact CB-CD2 4.48Å; V18-F23 HydrophobicContact CB-CE2 3.58Å; V18-F23 HydrophobicContact CB-CZ 3.68Å; V18-F23 HydrophobicContact CG1-CD2 4.05Å; V18-F23 HydrophobicContact CG1-CE2 3.61Å; V18-F23 HydrophobicContact CG1-CZ 3.89Å; V18-F23 WeakPolarHBondContact O-CE2 3.45Å; V18-I28 HydrophobicContact CG1-CG1 4.31Å; V18-W41 HydrophobicContact CG2-CD2 4.08Å; V18-W41 HydrophobicContact CG2-CE3 4.04Å; V18-W41 HydrophobicContact CG2-CH2 3.37Å; V18-W41 HydrophobicContact CG2-CZ2 3.39Å; V18-W41 HydrophobicContact CG2-CZ3 3.72Å; V18-Y102 HydrophobicContact CG1-CE1 4.21Å
19E90.3Very high74.9Confident26 Ų2678.2 Ų78.212%0.12139%0.385CS..  trans-89.6153.3-179-72.3138.7-111.300113.8H21 I22 F23 K56 A95 Q96 Y102E19-H21 WeakPolarHBondContact CB-ND1 3.37Å; E19-H21 PolarHBondContact O-N 3.39Å; E19-H21 IonicContact OE2-CE1 3.2Å; E19-H21 PolarHBondContact OE2-CE1 3.33Å; E19-I22 HydrophobicContact CB-CG1 4.42Å; E19-I22 VanDerWaalsContact O-CB 3.3Å; E19-I22 WeakPolarHBondContact O-CB 3.45Å; E19-I22 PolarHBondContact O-N 2.83Å; E19-F23 WeakPolarHBondContact O-CD2 3.36Å; E19-F23 PolarHBondContact O-N 3.25Å; E19-K56 IonicContact OE1-NZ 2.9Å; E19-K56 PolarHBondContact OE1-NZ 3.12Å; E19-A95 VanDerWaalsContact OE2-CA 3.28Å; E19-A95 WeakPolarHBondContact OE2-CA 3.5Å; E19-A95 WeakPolarHBondContact OE2-CB 3.39Å; E19-Q96 PolarHBondContact OE2-N 3.29Å; E19-Y102 VanDerWaalsContact CD-OH 3.23Å; E19-Y102 PolarHBondContact N-OH 2.79Å; E19-Y102 VanDerWaalsContact N-OH 3.1Å; E19-Y102 WeakPolarHBondContact OE1-CE2 3.42Å; E19-Y102 PolarHBondContact OE1-OH 2.68Å
20E89.9Confident77.5Confident147 Ų14775 Ų7569%0.68737%0.37SS*.Hα-helixtrans-58.7-39.7-173-173.7170.9-155.800113.8I22 F23 L24E20-I22 PolarHBondContact O-N 3.11Å; E20-I22 VanDerWaalsContact O-N 3.14Å; E20-F23 PolarHBondContact O-N 2.86Å; E20-L24 WeakPolarHBondContact O-CG 3.3Å; E20-L24 PolarHBondContact O-N 3.1Å
21H92.1Very high80Confident45 Ų4574.3 Ų74.321%0.20836%0.364CS..Hα-helixtrans-66.1-16.3178.173.3-50.6000113.6E19 R94E19-H21 WeakPolarHBondContact CB-ND1 3.37Å; E19-H21 PolarHBondContact O-N 3.39Å; E19-H21 IonicContact OE2-CE1 3.2Å; E19-H21 PolarHBondContact OE2-CE1 3.33Å; H21-R94 PolarHBondContact NE2-O 2.88Å
22I94.5Very high82.1Confident0 Ų070.5 Ų70.50%035%0.346CS..Hα-helixtrans-81.3-43.5170-49.7-58.1000109.9V18 E19 E20 L24 K25 Y26 I28 V54 I93 Y102V18-I22 HydrophobicContact CG1-CB 3.67Å; V18-I22 HydrophobicContact CG1-CG1 4.22Å; V18-I22 HydrophobicContact CG1-CG2 3.78Å; E19-I22 HydrophobicContact CB-CG1 4.42Å; E19-I22 VanDerWaalsContact O-CB 3.3Å; E19-I22 WeakPolarHBondContact O-CB 3.45Å; E19-I22 PolarHBondContact O-N 2.83Å; E20-I22 PolarHBondContact O-N 3.11Å; E20-I22 VanDerWaalsContact O-N 3.14Å; I22-L24 VanDerWaalsContact C-N 3.28Å; I22-L24 PolarHBondContact O-N 2.63Å; I22-K25 CarbonylContact O-C 3.33Å; I22-K25 PolarHBondContact O-N 2.84Å; I22-Y26 HydrophobicContact CG2-CD2 3.99Å; I22-Y26 PolarHBondContact O-N 3.41Å; I22-I28 HydrophobicContact CG2-CD1 4.36Å; I22-V54 HydrophobicContact CG2-CG1 4.39Å; I22-I93 HydrophobicContact CD1-CB 4.35Å; I22-I93 HydrophobicContact CD1-CD1 4.43Å; I22-I93 HydrophobicContact CD1-CG2 3.72Å; I22-Y102 HydrophobicContact CD1-CD1 4.2Å; I22-Y102 HydrophobicContact CD1-CD2 3.79Å; I22-Y102 HydrophobicContact CD1-CE1 4.41Å; I22-Y102 HydrophobicContact CD1-CE2 4.04Å; I22-Y102 HydrophobicContact CD1-CG 3.87Å; I22-Y102 HydrophobicContact CG1-CD1 4.08Å; I22-Y102 HydrophobicContact CG1-CD2 4.12Å; I22-Y102 HydrophobicContact CG1-CE1 3.83Å; I22-Y102 HydrophobicContact CG1-CE2 3.89Å; I22-Y102 HydrophobicContact CG1-CG 4.21Å; I22-Y102 HydrophobicContact CG2-CD1 4.46Å; I22-Y102 HydrophobicContact CG2-CE1 4.48Å
23F93Very high84Confident52 Ų5267.7 Ų67.723%0.22833%0.328CS..Hα-helixtrans-62.7-31.6177.2-73.4-73.8000114.1V15 V18 E19 E20 K25 Y26 I28 R46V15-F23 HydrophobicContact CB-CZ 4.31Å; V15-F23 HydrophobicContact CG1-CE1 4.08Å; V15-F23 HydrophobicContact CG1-CE2 4.02Å; V15-F23 HydrophobicContact CG1-CZ 3.5Å; V18-F23 HydrophobicContact CB-CD2 4.48Å; V18-F23 HydrophobicContact CB-CE2 3.58Å; V18-F23 HydrophobicContact CB-CZ 3.68Å; V18-F23 HydrophobicContact CG1-CD2 4.05Å; V18-F23 HydrophobicContact CG1-CE2 3.61Å; V18-F23 HydrophobicContact CG1-CZ 3.89Å; V18-F23 WeakPolarHBondContact O-CE2 3.45Å; E19-F23 WeakPolarHBondContact O-CD2 3.36Å; E19-F23 PolarHBondContact O-N 3.25Å; E20-F23 PolarHBondContact O-N 2.86Å; F23-K25 PolarHBondContact O-N 3.39Å; F23-Y26 WeakPolarHBondContact CA-O 3.27Å; F23-I28 HydrophobicContact CD1-CB 4.34Å; F23-I28 HydrophobicContact CD1-CG1 3.81Å; F23-I28 HydrophobicContact CE1-CB 3.75Å; F23-I28 HydrophobicContact CE1-CG1 3.46Å; F23-I28 VanDerWaalsContact CE1-CG1 3.46Å; F23-I28 HydrophobicContact CZ-CG1 4.12Å; F23-R46 PolarHBondContact O-NE 3.44Å
24L93.4Very high85.9Confident128 Ų12867.6 Ų67.667%0.6732%0.319SS*.THydrogen-bonded Turntrans-64.6-20.9172.4-67.8177.7000113.2E20 I22E20-L24 WeakPolarHBondContact O-CG 3.3Å; E20-L24 PolarHBondContact O-N 3.1Å; I22-L24 VanDerWaalsContact C-N 3.28Å; I22-L24 PolarHBondContact O-N 2.63Å
25K95Very high87.1Confident105 Ų10563.8 Ų63.846%0.45731%0.311SS..THydrogen-bonded Turntrans-110.2-32.7-179.1-63.7-174.7-180-171.40113.4I22 F23 R46I22-K25 CarbonylContact O-C 3.33Å; I22-K25 PolarHBondContact O-N 2.84Å; F23-K25 PolarHBondContact O-N 3.39Å; K25-R46 WeakPolarHBondContact O-CB 3.41Å; K25-R46 WeakPolarHBondContact O-CG 3.35Å; K25-R46 PolarHBondContact O-N 3.41Å
26Y96.9Very high87.6Confident11 Ų1165 Ų654%0.04333%0.328CS..EExtended strand (participates in β ladder)trans-130.8124.5-174.4-55.6-79.7000110.9I22 F23 I28 V44 D45 V52 V54 N91 I93 I104I22-Y26 HydrophobicContact CG2-CD2 3.99Å; I22-Y26 PolarHBondContact O-N 3.41Å; F23-Y26 WeakPolarHBondContact CA-O 3.27Å; Y26-I28 PolarHBondContact O-N 2.87Å; Y26-I28 VanDerWaalsContact O-N 3.1Å; Y26-V44 CarbonylContact C-O 3.57Å; Y26-V44 WeakPolarHBondContact CA-O 3.47Å; Y26-D45 HydrophobicContact CD1-CB 4Å; Y26-D45 HydrophobicContact CE1-CB 3.9Å; Y26-V52 HydrophobicContact CD1-CG2 3.75Å; Y26-V52 HydrophobicContact CE1-CG2 4.09Å; Y26-V54 HydrophobicContact CG-CG2 4.38Å; Y26-N91 PolarHBondContact OH-ND2 3.22Å; Y26-I93 HydrophobicContact CE2-CD1 3.64Å; Y26-I104 HydrophobicContact CD2-CD1 4.36Å; Y26-I104 HydrophobicContact CE1-CG2 3.89Å; Y26-I104 HydrophobicContact CE2-CD1 3.9Å; Y26-I104 HydrophobicContact CE2-CG1 4.2Å
27E96.3Very high88.1Confident64 Ų6464.8 Ų64.830%0.29931%0.313SS..EExtended strand (participates in β ladder)trans-74.593.3167.5-172.5175103.700109.7R29 A43 V44 R46E27-R29 HydrophobicContact CG-CG 4.38Å; E27-R29 PolarHBondContact O-N 2.72Å; E27-R29 IonicContact OE1-CZ 3.31Å; E27-R29 IonicContact OE1-NE 2.76Å; E27-R29 PolarHBondContact OE1-NE 3.08Å; E27-R29 IonicContact OE1-NH2 3.66Å; E27-R29 PolarHBondContact OE1-NH2 3.45Å; E27-A43 CarbonylContact O-C 3.57Å; E27-A43 WeakPolarHBondContact O-CA 3.48Å; E27-A43 VanDerWaalsContact O-CB 3.3Å; E27-A43 WeakPolarHBondContact O-CB 3.28Å; E27-V44 HydrophobicContact CB-CB 4.34Å; E27-V44 PolarHBondContact N-O 3.29Å; E27-V44 PolarHBondContact O-N 2.89Å; E27-R46 IonicContact OE2-CZ 3.72Å; E27-R46 IonicContact OE2-NH1 3.65Å; E27-R46 PolarHBondContact OE2-NH1 2.7Å; E27-R46 IonicContact OE2-NH2 3.12Å
28I95.6Very high88.4Confident34 Ų3463.2 Ų63.217%0.17431%0.308CS..EExtended strand (participates in β ladder)trans-65.3123.4175.8-50.4-56.1000109.6V18 I22 F23 Y26 W41 A43 V54V18-I28 HydrophobicContact CG1-CG1 4.31Å; I22-I28 HydrophobicContact CG2-CD1 4.36Å; F23-I28 HydrophobicContact CD1-CB 4.34Å; F23-I28 HydrophobicContact CD1-CG1 3.81Å; F23-I28 HydrophobicContact CE1-CB 3.75Å; F23-I28 HydrophobicContact CE1-CG1 3.46Å; F23-I28 VanDerWaalsContact CE1-CG1 3.46Å; F23-I28 HydrophobicContact CZ-CG1 4.12Å; Y26-I28 PolarHBondContact O-N 2.87Å; Y26-I28 VanDerWaalsContact O-N 3.1Å; I28-W41 HydrophobicContact CG2-CB 3.74Å; I28-W41 VanDerWaalsContact CG2-CD1 3.43Å; I28-W41 HydrophobicContact CG2-CD2 4.36Å; I28-W41 HydrophobicContact CG2-CG 3.61Å; I28-A43 HydrophobicContact CD1-CB 3.89Å; I28-V54 HydrophobicContact CD1-CB 4.44Å; I28-V54 HydrophobicContact CD1-CG1 4.49Å; I28-V54 HydrophobicContact CD1-CG2 4.07Å
29R93.7Very high88.6Confident154 Ų15462.5 Ų62.558%0.58130%0.304SS*.EExtended strand (participates in β ladder)trans-111.4-62.2-175.4-69.2-179.1172.6-176.2-2.6113.9E27 K42 V44E27-R29 HydrophobicContact CG-CG 4.38Å; E27-R29 PolarHBondContact O-N 2.72Å; E27-R29 IonicContact OE1-CZ 3.31Å; E27-R29 IonicContact OE1-NE 2.76Å; E27-R29 PolarHBondContact OE1-NE 3.08Å; E27-R29 IonicContact OE1-NH2 3.66Å; E27-R29 PolarHBondContact OE1-NH2 3.45Å; R29-K42 WeakPolarHBondContact CA-O 3.31Å; R29-K42 WeakPolarHBondContact CB-O 3.39Å; R29-K42 PolarHBondContact N-O 3.06Å; R29-V44 VanDerWaalsContact CZ-CG2 3.44Å
30K92.9Very high88.8Confident78 Ų7861.9 Ų61.934%0.33930%0.302SS..EExtended strand (participates in β ladder)trans-133.3119.7-170.1-176.6-177.2-176.6-175.90109I32 W41 K42 E599K30-I32 HydrophobicContact CD-CG2 4.46Å; K30-I32 HydrophobicContact CG-CG2 4.3Å; K30-I32 PolarHBondContact O-N 2.83Å; K30-W41 CarbonylContact O-C 3.58Å; K30-W41 WeakPolarHBondContact O-CA 3.49Å; K30-K42 HydrophobicContact CB-CB 4.28Å; K30-K42 PolarHBondContact N-O 3.33Å; K30-K42 VanDerWaalsContact N-O 3.15Å; K30-K42 PolarHBondContact O-N 2.91Å; K30-E599 VanDerWaalsContact NZ-CD 3.33Å; K30-E599 IonicContact NZ-OE1 3.34Å; K30-E599 PolarHBondContact NZ-OE1 2.86Å; K30-E599 IonicContact NZ-OE2 3.1Å; K30-E599 PolarHBondContact NZ-OE2 2.88Å
31R92.1Very high89Confident122 Ų12255.2 Ų55.246%0.4627%0.27SS..EExtended strand (participates in β ladder)trans-65.8121.9168.2-17017367.4-162.81.6108.2E17 I39 W41E17-R31 IonicContact OE1-NH1 3.82Å; E17-R31 IonicContact OE2-CZ 2.77Å; E17-R31 IonicContact OE2-NH1 2.74Å; E17-R31 PolarHBondContact OE2-NH1 2.98Å; R31-I39 VanDerWaalsContact CD-CG2 3.41Å; R31-I39 HydrophobicContact CG-CG2 3.63Å; R31-W41 HydrophobicContact CB-CG 4.4Å
32I89.1Confident89.2Confident16 Ų1655.3 Ų55.38%0.08227%0.27CS..EExtended strand (participates in β ladder)trans-108-31.1-176.952.2175.3000112.2K30 V40 K42 Y107 Y592 G593K30-I32 HydrophobicContact CD-CG2 4.46Å; K30-I32 HydrophobicContact CG-CG2 4.3Å; K30-I32 PolarHBondContact O-N 2.83Å; I32-V40 HydrophobicContact CD1-CB 4.5Å; I32-V40 HydrophobicContact CD1-CG1 3.82Å; I32-V40 HydrophobicContact CG1-CB 3.98Å; I32-V40 HydrophobicContact CG1-CG1 3.82Å; I32-V40 WeakPolarHBondContact CG1-O 3.48Å; I32-V40 PolarHBondContact N-O 3.01Å; I32-K42 HydrophobicContact CG2-CB 4.15Å; I32-Y107 HydrophobicContact CD1-CD2 4.38Å; I32-Y107 HydrophobicContact CD1-CE2 4.17Å; I32-Y592 HydrophobicContact CD1-CD1 3.95Å; I32-Y592 HydrophobicContact CD1-CE1 3.52Å; I32-Y592 CarbonylContact O-C 3.55Å; I32-Y592 VanDerWaalsContact O-C 3.23Å; I32-G593 WeakPolarHBondContact O-CA 3.48Å; I32-G593 PolarHBondContact O-N 3.31Å; I32-G593 VanDerWaalsContact O-N 3.08Å
33G83.6Confident89.4Confident6 Ų655.3 Ų55.36%0.06227%0.27CS..EExtended strand (participates in β ladder)trans-132.4149.6177.800000113.2I39 V40 A591G33-I39 WeakPolarHBondContact O-CA 3.03Å; G33-I39 WeakPolarHBondContact O-CG2 3.46Å; G33-V40 PolarHBondContact N-O 3.37Å; G33-V40 PolarHBondContact O-N 3.23Å; G33-A591 WeakPolarHBondContact CA-O 3.33Å; G33-A591 PolarHBondContact N-O 2.81Å
34K83.1Confident89.6Confident101 Ų10153.7 Ų53.744%0.43926%0.264SS..EExtended strand (participates in β ladder)trans-150.7109.7164.6179.2156-167.4169.70109.1E17 I39 Q590E17-K34 IonicContact OE1-NZ 2.72Å; E17-K34 PolarHBondContact OE1-NZ 3.3Å; K34-I39 HydrophobicContact CB-CG1 4.22Å; K34-I39 HydrophobicContact CD-CD1 3.68Å; K34-I39 HydrophobicContact CD-CG1 3.87Å; K34-I39 HydrophobicContact CG-CD1 4.25Å; K34-I39 HydrophobicContact CG-CG1 3.85Å; K34-Q590 CarbonylContact C-O 3.56Å
35G73.1Confident89.8Confident30 Ų3048.7 Ų48.731%0.30924%0.238SC..EExtended strand (participates in β ladder)trans-114.9-174.4176.500000111.9Y37 G38G35-Y37 VanDerWaalsContact C-N 3.26Å; G35-Y37 PolarHBondContact O-N 3.36Å; G35-G38 PolarHBondContact N-O 3.01Å
36A67.1Low89.9Confident91 Ų9150 Ų5075%0.75224%0.24SC*.THydrogen-bonded Turntrans-63.1-32.2176.900000113.3
37Y72.6Confident89.8Confident93 Ų9357.7 Ų57.737%0.36528%0.277SS..THydrogen-bonded Turntrans-93.8-6.8-175.2-69.9-83.6000114.8G35 I57 F58 D66 Y588G35-Y37 VanDerWaalsContact C-N 3.26Å; G35-Y37 PolarHBondContact O-N 3.36Å; Y37-I57 CarbonylContact O-C 3.48Å; Y37-I57 WeakPolarHBondContact O-CA 3.47Å; Y37-F58 PolarHBondContact O-N 2.69Å; Y37-D66 WeakPolarHBondContact CE1-OD1 3.41Å; Y37-Y588 AromaticContact CE2-CD1 3.72Å; Y37-Y588 HydrophobicContact CE2-CD1 3.72Å; Y37-Y588 AromaticContact CE2-CE1 3.6Å; Y37-Y588 HydrophobicContact CE2-CE1 3.6Å
38G85.8Confident89.8Confident10 Ų1059 Ų5910%0.10329%0.29CS..EExtended strand (participates in β ladder)trans165.3-177.8-168.600000116.2G35 K56G35-G38 PolarHBondContact N-O 3.01Å; G38-K56 CarbonylContact C-O 3.59Å; G38-K56 WeakPolarHBondContact CA-O 3.44Å
39I91.1Very high89.8Confident0 Ų060 Ų600%031%0.307CS..EExtended strand (participates in β ladder)trans-133.1142.4-178.2-62.3-178.5000109.3E17 R31 G33 K34 W41 K55 K56 F58E17-I39 HydrophobicContact CB-CD1 4.33Å; E17-I39 HydrophobicContact CG-CD1 4.23Å; E17-I39 WeakPolarHBondContact OE1-CD1 3.48Å; E17-I39 WeakPolarHBondContact OE2-CD1 3.39Å; R31-I39 VanDerWaalsContact CD-CG2 3.41Å; R31-I39 HydrophobicContact CG-CG2 3.63Å; G33-I39 WeakPolarHBondContact O-CA 3.03Å; G33-I39 WeakPolarHBondContact O-CG2 3.46Å; K34-I39 HydrophobicContact CB-CG1 4.22Å; K34-I39 HydrophobicContact CD-CD1 3.68Å; K34-I39 HydrophobicContact CD-CG1 3.87Å; K34-I39 HydrophobicContact CG-CD1 4.25Å; K34-I39 HydrophobicContact CG-CG1 3.85Å; I39-W41 HydrophobicContact CB-CE3 4.41Å; I39-W41 HydrophobicContact CB-CH2 3.52Å; I39-W41 HydrophobicContact CB-CZ2 3.91Å; I39-W41 HydrophobicContact CB-CZ3 3.8Å; I39-W41 HydrophobicContact CD1-CH2 4.33Å; I39-W41 HydrophobicContact CD1-CZ2 4.28Å; I39-W41 HydrophobicContact CG1-CH2 4.48Å; I39-W41 HydrophobicContact CG2-CD2 3.78Å; I39-W41 VanDerWaalsContact CG2-CE2 3.46Å; I39-W41 HydrophobicContact CG2-CE3 3.87Å; I39-W41 HydrophobicContact CG2-CH2 3.38Å; I39-W41 HydrophobicContact CG2-CZ2 3.25Å; I39-W41 HydrophobicContact CG2-CZ3 3.68Å; I39-K55 CarbonylContact O-C 3.51Å; I39-K55 WeakPolarHBondContact O-CA 3.43Å; I39-K56 PolarHBondContact N-O 2.96Å; I39-K56 PolarHBondContact O-N 3.06Å; I39-F58 HydrophobicContact CD1-CE2 3.93Å; I39-F58 HydrophobicContact CD1-CZ 3.56Å; I39-F58 HydrophobicContact CG1-CE2 3.72Å; I39-F58 HydrophobicContact CG1-CZ 3.73Å
40V93.8Very high89.9Confident13 Ų1354.8 Ų54.88%0.07930%0.297CS..EExtended strand (participates in β ladder)trans-119.5132.6176.5-165.10000110I32 G33 A53 V54 K55 A591I32-V40 HydrophobicContact CD1-CB 4.5Å; I32-V40 HydrophobicContact CD1-CG1 3.82Å; I32-V40 HydrophobicContact CG1-CB 3.98Å; I32-V40 HydrophobicContact CG1-CG1 3.82Å; I32-V40 WeakPolarHBondContact CG1-O 3.48Å; I32-V40 PolarHBondContact N-O 3.01Å; G33-V40 PolarHBondContact N-O 3.37Å; G33-V40 PolarHBondContact O-N 3.23Å; V40-A53 HydrophobicContact CG1-CB 4.19Å; V40-V54 CarbonylContact C-O 3.47Å; V40-V54 VanDerWaalsContact CA-O 3.27Å; V40-V54 WeakPolarHBondContact CA-O 3.41Å; V40-K55 HydrophobicContact CG2-CB 4.21Å; V40-K55 HydrophobicContact CG2-CG 4.16Å; V40-A591 HydrophobicContact CG2-CB 4.27Å
41W95.4Very high90.1Very high6 Ų653.9 Ų53.92%0.02330%0.298CS..EExtended strand (participates in β ladder)trans-121.8138.9172.9-58.4-102.6000111.7E17 V18 I28 K30 R31 I39 A53 V54 K56E17-W41 HydrophobicContact CB-CH2 4.14Å; E17-W41 HydrophobicContact CB-CZ2 3.7Å; V18-W41 HydrophobicContact CG2-CD2 4.08Å; V18-W41 HydrophobicContact CG2-CE3 4.04Å; V18-W41 HydrophobicContact CG2-CH2 3.37Å; V18-W41 HydrophobicContact CG2-CZ2 3.39Å; V18-W41 HydrophobicContact CG2-CZ3 3.72Å; I28-W41 HydrophobicContact CG2-CB 3.74Å; I28-W41 VanDerWaalsContact CG2-CD1 3.43Å; I28-W41 HydrophobicContact CG2-CD2 4.36Å; I28-W41 HydrophobicContact CG2-CG 3.61Å; K30-W41 CarbonylContact O-C 3.58Å; K30-W41 WeakPolarHBondContact O-CA 3.49Å; R31-W41 HydrophobicContact CB-CG 4.4Å; I39-W41 HydrophobicContact CB-CE3 4.41Å; I39-W41 HydrophobicContact CB-CH2 3.52Å; I39-W41 HydrophobicContact CB-CZ2 3.91Å; I39-W41 HydrophobicContact CB-CZ3 3.8Å; I39-W41 HydrophobicContact CD1-CH2 4.33Å; I39-W41 HydrophobicContact CD1-CZ2 4.28Å; I39-W41 HydrophobicContact CG1-CH2 4.48Å; I39-W41 HydrophobicContact CG2-CD2 3.78Å; I39-W41 VanDerWaalsContact CG2-CE2 3.46Å; I39-W41 HydrophobicContact CG2-CE3 3.87Å; I39-W41 HydrophobicContact CG2-CH2 3.38Å; I39-W41 HydrophobicContact CG2-CZ2 3.25Å; I39-W41 HydrophobicContact CG2-CZ3 3.68Å; W41-A53 WeakPolarHBondContact O-CA 3.45Å; W41-V54 PolarHBondContact N-O 2.73Å; W41-V54 PolarHBondContact O-N 3.05Å; W41-K56 HydrophobicContact CH2-CB 4.14Å; W41-K56 HydrophobicContact CZ3-CB 3.66Å
42K96.3Very high90.4Very high48 Ų4848.2 Ų48.221%0.20928%0.277CS..EExtended strand (participates in β ladder)trans-67.8125.8157.2-174.8173.7-158.8162.20108R29 K30 I32 T51 Y107 D109R29-K42 WeakPolarHBondContact CA-O 3.31Å; R29-K42 WeakPolarHBondContact CB-O 3.39Å; R29-K42 PolarHBondContact N-O 3.06Å; K30-K42 HydrophobicContact CB-CB 4.28Å; K30-K42 PolarHBondContact N-O 3.33Å; K30-K42 VanDerWaalsContact N-O 3.15Å; K30-K42 PolarHBondContact O-N 2.91Å; I32-K42 HydrophobicContact CG2-CB 4.15Å; K42-T51 HydrophobicContact CD-CG2 4.3Å; K42-T51 HydrophobicContact CG-CG2 3.94Å; K42-Y107 HydrophobicContact CB-CD2 4.01Å; K42-Y107 HydrophobicContact CB-CE2 3.72Å; K42-Y107 HydrophobicContact CD-CD2 3.99Å; K42-Y107 HydrophobicContact CD-CE1 4.24Å; K42-Y107 HydrophobicContact CD-CE2 3.33Å; K42-Y107 VanDerWaalsContact CE-CE1 3.44Å; K42-Y107 VanDerWaalsContact CE-CE2 3.5Å; K42-Y107 HydrophobicContact CG-CD2 3.64Å; K42-Y107 HydrophobicContact CG-CE2 3.44Å; K42-Y107 VanDerWaalsContact CG-CE2 3.44Å; K42-Y107 HydrophobicContact CG-CG 4.42Å; K42-Y107 PolarHBondContact NZ-OH 3.46Å; K42-D109 IonicContact NZ-OD1 2.68Å
43A97.3Very high90.8Very high0 Ų047.5 Ų47.50%027%0.274CS..EExtended strand (participates in β ladder)trans-135.7172.5177.200000110.9E27 I28 T51 V52 V54E27-A43 CarbonylContact O-C 3.57Å; E27-A43 WeakPolarHBondContact O-CA 3.48Å; E27-A43 VanDerWaalsContact O-CB 3.3Å; E27-A43 WeakPolarHBondContact O-CB 3.28Å; I28-A43 HydrophobicContact CD1-CB 3.89Å; A43-T51 WeakPolarHBondContact O-CA 3.42Å; A43-V52 HydrophobicContact CB-CG2 4.16Å; A43-V52 PolarHBondContact N-O 3.33Å; A43-V52 PolarHBondContact O-N 3Å; A43-V54 HydrophobicContact CB-CG2 3.68Å
44V97.8Very high91.4Very high17 Ų1747.2 Ų47.210%0.10327%0.271CS..EExtended strand (participates in β ladder)trans-117.7129.3165.5168.30000109.4Y26 E27 R29 R46 A50Y26-V44 CarbonylContact C-O 3.57Å; Y26-V44 WeakPolarHBondContact CA-O 3.47Å; E27-V44 HydrophobicContact CB-CB 4.34Å; E27-V44 PolarHBondContact N-O 3.29Å; E27-V44 PolarHBondContact O-N 2.89Å; R29-V44 VanDerWaalsContact CZ-CG2 3.44Å; V44-R46 PolarHBondContact O-N 3.3Å; V44-A50 CarbonylContact C-O 3.59Å; V44-A50 WeakPolarHBondContact CA-O 3.5Å
45D97.5Very high92Very high24 Ų2444.4 Ų44.413%0.12826%0.259CS..EExtended strand (participates in β ladder)trans-65.7122.1169.81735.9000109.7Y26 Q47 T48 G49 A50 V52Y26-D45 HydrophobicContact CD1-CB 4Å; Y26-D45 HydrophobicContact CE1-CB 3.9Å; D45-Q47 VanDerWaalsContact C-N 3.26Å; D45-Q47 PolarHBondContact O-N 3.37Å; D45-Q47 WeakPolarHBondContact OD1-CB 3.47Å; D45-Q47 PolarHBondContact OD1-N 3.31Å; D45-T48 WeakPolarHBondContact CB-OG1 3.45Å; D45-T48 WeakPolarHBondContact OD2-CB 3.23Å; D45-T48 VanDerWaalsContact OD2-CG2 3.27Å; D45-T48 WeakPolarHBondContact OD2-CG2 3.48Å; D45-T48 PolarHBondContact OD2-OG1 2.76Å; D45-G49 VanDerWaalsContact O-CA 3.3Å; D45-G49 WeakPolarHBondContact O-CA 3.43Å; D45-G49 PolarHBondContact O-N 3.18Å; D45-A50 PolarHBondContact N-O 2.82Å; D45-V52 HydrophobicContact CB-CG1 4.48Å
46R96.6Very high93Very high132 Ų13243.6 Ų43.650%0.49825%0.247SC..THydrogen-bonded Turntrans-71.4-19.3-178-63.8-169.2179.9-682.2113.3F23 K25 E27 V44F23-R46 PolarHBondContact O-NE 3.44Å; K25-R46 WeakPolarHBondContact O-CB 3.41Å; K25-R46 WeakPolarHBondContact O-CG 3.35Å; K25-R46 PolarHBondContact O-N 3.41Å; E27-R46 IonicContact OE2-CZ 3.72Å; E27-R46 IonicContact OE2-NH1 3.65Å; E27-R46 PolarHBondContact OE2-NH1 2.7Å; E27-R46 IonicContact OE2-NH2 3.12Å; V44-R46 PolarHBondContact O-N 3.3Å
47Q95.1Very high94.2Very high173 Ų17339.6 Ų39.681%0.80821%0.213SC*.THydrogen-bonded Turntrans-85.2-37.4178.3-173.4174.717.100112.4D45D45-Q47 VanDerWaalsContact C-N 3.26Å; D45-Q47 PolarHBondContact O-N 3.37Å; D45-Q47 WeakPolarHBondContact OD1-CB 3.47Å; D45-Q47 PolarHBondContact OD1-N 3.31Å
48T96.1Very high95Very high92 Ų9238.3 Ų38.356%0.56421%0.209SC*.THydrogen-bonded Turntrans-108.7-15.5-173.6620000114.3D45 A50D45-T48 WeakPolarHBondContact CB-OG1 3.45Å; D45-T48 WeakPolarHBondContact OD2-CB 3.23Å; D45-T48 VanDerWaalsContact OD2-CG2 3.27Å; D45-T48 WeakPolarHBondContact OD2-CG2 3.48Å; D45-T48 PolarHBondContact OD2-OG1 2.76Å; T48-A50 PolarHBondContact O-N 2.8Å; T48-A50 VanDerWaalsContact OG1-CB 3.31Å; T48-A50 WeakPolarHBondContact OG1-CB 3.4Å; T48-A50 PolarHBondContact OG1-N 2.71Å
49G96Very high95Very high53 Ų5340.6 Ų40.655%0.54622%0.219SC..  trans72-0.7-169.400000114.2D45D45-G49 VanDerWaalsContact O-CA 3.3Å; D45-G49 WeakPolarHBondContact O-CA 3.43Å; D45-G49 PolarHBondContact O-N 3.18Å
50A96.6Very high94.7Very high45 Ų4540.7 Ų40.737%0.37222%0.219SC..  trans-69.9142.6-177.600000112V44 D45 T48V44-A50 CarbonylContact C-O 3.59Å; V44-A50 WeakPolarHBondContact CA-O 3.5Å; D45-A50 PolarHBondContact N-O 2.82Å; T48-A50 PolarHBondContact O-N 2.8Å; T48-A50 VanDerWaalsContact OG1-CB 3.31Å; T48-A50 WeakPolarHBondContact OG1-CB 3.4Å; T48-A50 PolarHBondContact OG1-N 2.71Å
51T97.3Very high94.3Very high59 Ų5940.9 Ų40.936%0.36222%0.219SC..EExtended strand (participates in β ladder)trans-80.6128.5170.9-62.40000109.5K42 A43 Y107K42-T51 HydrophobicContact CD-CG2 4.3Å; K42-T51 HydrophobicContact CG-CG2 3.94Å; A43-T51 WeakPolarHBondContact O-CA 3.42Å; T51-Y107 HydrophobicContact CG2-CD1 3.86Å; T51-Y107 HydrophobicContact CG2-CD2 4.27Å; T51-Y107 HydrophobicContact CG2-CG 3.7Å
52V97.5Very high93.8Very high3 Ų349.1 Ų49.12%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-134.4158.2-173.2-62.80000111.7Y26 A43 D45 V54 L90 I104 F105Y26-V52 HydrophobicContact CD1-CG2 3.75Å; Y26-V52 HydrophobicContact CE1-CG2 4.09Å; A43-V52 HydrophobicContact CB-CG2 4.16Å; A43-V52 PolarHBondContact N-O 3.33Å; A43-V52 PolarHBondContact O-N 3Å; D45-V52 HydrophobicContact CB-CG1 4.48Å; V52-V54 HydrophobicContact CG2-CG2 4.36Å; V52-L90 HydrophobicContact CG1-CD1 3.78Å; V52-I104 HydrophobicContact CB-CG2 4.05Å; V52-I104 HydrophobicContact CG1-CG2 4.4Å; V52-I104 HydrophobicContact CG2-CG2 4.12Å; V52-F105 WeakPolarHBondContact CA-O 3.4Å; V52-F105 WeakPolarHBondContact CB-O 3.37Å
53A97.2Very high93.3Very high1 Ų149.4 Ų49.41%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-102.5118.7170.900000110.3V40 W41 F105V40-A53 HydrophobicContact CG1-CB 4.19Å; W41-A53 WeakPolarHBondContact O-CA 3.45Å; A53-F105 HydrophobicContact CB-CB 4.28Å; A53-F105 PolarHBondContact N-O 2.85Å; A53-F105 PolarHBondContact O-N 3.1Å
54V96.9Very high92.7Very high0 Ų055.5 Ų55.50%028%0.277CS..EExtended strand (participates in β ladder)trans-97.5107.2178.2-177.20000108.3I22 Y26 I28 V40 W41 A43 V52 Y102 I104I22-V54 HydrophobicContact CG2-CG1 4.39Å; Y26-V54 HydrophobicContact CG-CG2 4.38Å; I28-V54 HydrophobicContact CD1-CB 4.44Å; I28-V54 HydrophobicContact CD1-CG1 4.49Å; I28-V54 HydrophobicContact CD1-CG2 4.07Å; V40-V54 CarbonylContact C-O 3.47Å; V40-V54 VanDerWaalsContact CA-O 3.27Å; V40-V54 WeakPolarHBondContact CA-O 3.41Å; W41-V54 PolarHBondContact N-O 2.73Å; W41-V54 PolarHBondContact O-N 3.05Å; A43-V54 HydrophobicContact CB-CG2 3.68Å; V52-V54 HydrophobicContact CG2-CG2 4.36Å; V54-Y102 HydrophobicContact CG1-CD1 4.03Å; V54-I104 HydrophobicContact CB-CD1 4.32Å; V54-I104 HydrophobicContact CG1-CD1 3.91Å; V54-I104 HydrophobicContact CG2-CD1 4.06Å
55K95Very high92Very high42 Ų4258.5 Ų58.518%0.18330%0.296CS..EExtended strand (participates in β ladder)trans-98106.5175.3178.3-169.8-173.7-168.60109I39 V40 I57 E73 Y102 L103 F105I39-K55 CarbonylContact O-C 3.51Å; I39-K55 WeakPolarHBondContact O-CA 3.43Å; V40-K55 HydrophobicContact CG2-CB 4.21Å; V40-K55 HydrophobicContact CG2-CG 4.16Å; K55-I57 HydrophobicContact CD-CD1 4.35Å; K55-I57 HydrophobicContact CD-CG1 4.17Å; K55-I57 HydrophobicContact CG-CG1 4.15Å; K55-E73 IonicContact NZ-OE1 2.66Å; K55-E73 PolarHBondContact NZ-OE1 3.2Å; K55-E73 IonicContact NZ-OE2 2.64Å; K55-E73 PolarHBondContact NZ-OE2 2.77Å; K55-Y102 WeakPolarHBondContact O-CA 3.41Å; K55-L103 HydrophobicContact CB-CB 4.34Å; K55-L103 HydrophobicContact CD-CD1 4.36Å; K55-L103 PolarHBondContact N-O 3.43Å; K55-L103 PolarHBondContact O-N 2.83Å; K55-F105 HydrophobicContact CB-CD2 4.25Å; K55-F105 HydrophobicContact CB-CE2 4.03Å; K55-F105 HydrophobicContact CD-CE2 3.85Å
56K94.1Very high91.4Very high13 Ų1359 Ų596%0.05730%0.298CS..EExtended strand (participates in β ladder)trans-84.6118165.5-173.5177.3-171.9175.30108.6E19 G38 I39 W41 F58 D100 I101 Y102E19-K56 IonicContact OE1-NZ 2.9Å; E19-K56 PolarHBondContact OE1-NZ 3.12Å; G38-K56 CarbonylContact C-O 3.59Å; G38-K56 WeakPolarHBondContact CA-O 3.44Å; I39-K56 PolarHBondContact N-O 2.96Å; I39-K56 PolarHBondContact O-N 3.06Å; W41-K56 HydrophobicContact CH2-CB 4.14Å; W41-K56 HydrophobicContact CZ3-CB 3.66Å; K56-F58 HydrophobicContact CD-CD1 4.29Å; K56-F58 HydrophobicContact CD-CE1 3.91Å; K56-F58 HydrophobicContact CG-CD1 4.45Å; K56-F58 HydrophobicContact CG-CE1 4.39Å; K56-D100 VanDerWaalsContact CE-CB 3.44Å; K56-D100 VanDerWaalsContact CE-CG 3.46Å; K56-D100 WeakPolarHBondContact CE-OD2 3.13Å; K56-D100 HydrophobicContact CG-CB 4.49Å; K56-D100 IonicContact NZ-OD2 2.8Å; K56-D100 PolarHBondContact NZ-OD2 3.18Å; K56-I101 WeakPolarHBondContact CA-O 3.27Å; K56-Y102 HydrophobicContact CB-CD1 3.81Å; K56-Y102 HydrophobicContact CB-CE1 3.73Å; K56-Y102 HydrophobicContact CD-CD1 4.44Å; K56-Y102 HydrophobicContact CD-CE1 3.63Å; K56-Y102 HydrophobicContact CD-CE2 4.27Å; K56-Y102 WeakPolarHBondContact CD-OH 3.49Å; K56-Y102 WeakPolarHBondContact CE-OH 3.17Å; K56-Y102 HydrophobicContact CG-CD1 4.05Å; K56-Y102 HydrophobicContact CG-CE1 3.73Å; K56-Y102 HydrophobicContact CG-CE2 4.4Å; K56-Y102 PolarHBondContact NZ-OH 3.12Å
57I91.9Very high91Very high8 Ų852.7 Ų52.74%0.04128%0.275CS..EExtended strand (participates in β ladder)trans-91125.1169.2-55.4177.6000107.5Y37 K55 A60 T70 D100 I101 L103Y37-I57 CarbonylContact O-C 3.48Å; Y37-I57 WeakPolarHBondContact O-CA 3.47Å; K55-I57 HydrophobicContact CD-CD1 4.35Å; K55-I57 HydrophobicContact CD-CG1 4.17Å; K55-I57 HydrophobicContact CG-CG1 4.15Å; I57-A60 HydrophobicContact CB-CB 4.42Å; I57-A60 HydrophobicContact CG2-CB 3.87Å; I57-T70 HydrophobicContact CD1-CG2 4.1Å; I57-D100 VanDerWaalsContact O-CA 3.29Å; I57-D100 WeakPolarHBondContact O-CA 3.49Å; I57-D100 WeakPolarHBondContact O-CB 3.34Å; I57-I101 HydrophobicContact CB-CG2 3.97Å; I57-I101 HydrophobicContact CD1-CG2 4.24Å; I57-I101 HydrophobicContact CG1-CG2 4.41Å; I57-I101 PolarHBondContact N-O 3.29Å; I57-I101 PolarHBondContact O-N 3.35Å; I57-I101 VanDerWaalsContact O-N 3.08Å; I57-L103 HydrophobicContact CD1-CD1 3.76Å; I57-L103 HydrophobicContact CD1-CG 4.14Å
58F88.9Confident90.6Very high65 Ų6545.3 Ų45.329%0.28524%0.24SC..SBendtrans-84.3143.9177-63.8-51.9000111.2Y37 I39 K56 A60 D100Y37-F58 PolarHBondContact O-N 2.69Å; I39-F58 HydrophobicContact CD1-CE2 3.93Å; I39-F58 HydrophobicContact CD1-CZ 3.56Å; I39-F58 HydrophobicContact CG1-CE2 3.72Å; I39-F58 HydrophobicContact CG1-CZ 3.73Å; K56-F58 HydrophobicContact CD-CD1 4.29Å; K56-F58 HydrophobicContact CD-CE1 3.91Å; K56-F58 HydrophobicContact CG-CD1 4.45Å; K56-F58 HydrophobicContact CG-CE1 4.39Å; F58-A60 PolarHBondContact O-N 3.39Å; F58-D100 VanDerWaalsContact CA-OD1 3.29Å; F58-D100 WeakPolarHBondContact CA-OD1 3.39Å
59D86.6Confident90.2Very high59 Ų5942.8 Ų42.832%0.31622%0.22SC..SBendtrans53.327.6169.5-95.8-14.5000112.9F61 R62 K99 D100D59-F61 PolarHBondContact O-N 3.07Å; D59-R62 HydrophobicContact CB-CB 3.89Å; D59-R62 WeakPolarHBondContact O-CB 3.45Å; D59-R62 PolarHBondContact O-N 2.9Å; D59-R62 WeakPolarHBondContact OD2-CD 3.02Å; D59-R62 IonicContact OD2-NH1 2.76Å; D59-R62 PolarHBondContact OD2-NH1 2.7Å; D59-K99 CarbonylContact C-O 3.55Å; D59-D100 PolarHBondContact N-OD1 2.93Å
60A84.8Confident89.9Confident1 Ų140.6 Ų40.61%0.00820%0.196CC..THydrogen-bonded Turntrans-55.1-29.3-175.300000112.9I57 F58 D66 A67 T70 K99 I101I57-A60 HydrophobicContact CB-CB 4.42Å; I57-A60 HydrophobicContact CG2-CB 3.87Å; F58-A60 PolarHBondContact O-N 3.39Å; A60-D66 CarbonylContact O-C 3.23Å; A60-A67 WeakPolarHBondContact O-CA 3.22Å; A60-A67 PolarHBondContact O-N 2.89Å; A60-A67 VanDerWaalsContact O-N 3.15Å; A60-T70 HydrophobicContact CB-CG2 4.12Å; A60-K99 PolarHBondContact N-O 2.68Å; A60-I101 HydrophobicContact CB-CG2 3.93Å
61F85.6Confident89.6Confident18 Ų1838.7 Ų38.78%0.07918%0.18CC..THydrogen-bonded Turntrans-10735.3176.2-54.8-66.3000112.9D59 A67 K99 I101 V345 R349 L352D59-F61 PolarHBondContact O-N 3.07Å; F61-A67 HydrophobicContact CD1-CB 4.08Å; F61-K99 PolarHBondContact N-O 3.36Å; F61-I101 HydrophobicContact CZ-CD1 4.43Å; F61-V345 HydrophobicContact CB-CG1 3.76Å; F61-V345 WeakPolarHBondContact O-CG1 3.32Å; F61-R349 HydrophobicContact CD1-CB 3.67Å; F61-R349 HydrophobicContact CD1-CG 3.99Å; F61-R349 HydrophobicContact CD2-CG 3.95Å; F61-R349 HydrophobicContact CE1-CB 3.73Å; F61-R349 HydrophobicContact CE1-CG 3.95Å; F61-R349 HydrophobicContact CE2-CG 3.91Å; F61-R349 HydrophobicContact CG-CB 4.09Å; F61-R349 HydrophobicContact CG-CG 3.99Å; F61-R349 HydrophobicContact CZ-CB 4.21Å; F61-R349 HydrophobicContact CZ-CG 3.92Å; F61-L352 HydrophobicContact CE1-CD2 4.44Å; F61-L352 HydrophobicContact CZ-CD2 3.83Å
62R84.7Confident89.2Confident179 Ų17936.6 Ų36.668%0.67517%0.165SC*.SBendtrans-82-35.9178.9175.2173.8169.5179.2-5.9114.2D59D59-R62 HydrophobicContact CB-CB 3.89Å; D59-R62 WeakPolarHBondContact O-CB 3.45Å; D59-R62 PolarHBondContact O-N 2.9Å; D59-R62 WeakPolarHBondContact OD2-CD 3.02Å; D59-R62 IonicContact OD2-NH1 2.76Å; D59-R62 PolarHBondContact OD2-NH1 2.7Å
63N85.6Confident88.9Confident54 Ų5436.8 Ų36.829%0.28917%0.166SC..SBendtrans-150170.8178.56570000110.2T65 D66 A67 V345N63-T65 PolarHBondContact O-N 2.75Å; N63-T65 WeakPolarHBondContact OD1-CB 3.34Å; N63-T65 PolarHBondContact OD1-N 3.38Å; N63-D66 PolarHBondContact ND2-OD2 2.9Å; N63-D66 PolarHBondContact OD1-N 2.92Å; N63-A67 VanDerWaalsContact O-CB 3.27Å; N63-A67 WeakPolarHBondContact O-CB 3.35Å; N63-A67 PolarHBondContact O-N 2.78Å; N63-V345 VanDerWaalsContact C-CG2 3.44Å
64R84.7Confident88.7Confident127 Ų12736.8 Ų36.848%0.47917%0.166SC..Hα-helixtrans-61-41.5-176.2-62.9-172.2-170.8-175.3-0.4112.5A67 Q68 Q342 V345R64-A67 PolarHBondContact O-N 2.95Å; R64-Q68 WeakPolarHBondContact O-CB 3.34Å; R64-Q68 PolarHBondContact O-N 2.99Å; R64-Q342 PolarHBondContact NH1-O 3.48Å; R64-V345 HydrophobicContact CG-CG2 4.36Å
65T84Confident88.5Confident80 Ų8037.4 Ų37.449%0.49117%0.169SC..Hα-helixtrans-65.8-46.2-176.8-440000112.2N63 R69N63-T65 PolarHBondContact O-N 2.75Å; N63-T65 WeakPolarHBondContact OD1-CB 3.34Å; N63-T65 PolarHBondContact OD1-N 3.38Å; T65-R69 WeakPolarHBondContact O-CB 3.44Å; T65-R69 PolarHBondContact O-N 3.1Å
66D85.1Confident88.4Confident35 Ų3535.4 Ų35.419%0.18716%0.16CC..Hα-helixtrans-69.8-36.7178.1-67.7-35.3000111.6Y37 A60 N63 T70Y37-D66 WeakPolarHBondContact CE1-OD1 3.41Å; A60-D66 CarbonylContact O-C 3.23Å; N63-D66 PolarHBondContact ND2-OD2 2.9Å; N63-D66 PolarHBondContact OD1-N 2.92Å; D66-T70 WeakPolarHBondContact O-CB 3.4Å; D66-T70 PolarHBondContact O-N 2.71Å; D66-T70 PolarHBondContact O-OG1 3.3Å
67A88Confident88.4Confident0 Ų035 Ų350%016%0.158CC..Hα-helixtrans-65.8-45.3175.300000111.8A60 F61 N63 R64 T70 F71 V345 Y348A60-A67 WeakPolarHBondContact O-CA 3.22Å; A60-A67 PolarHBondContact O-N 2.89Å; A60-A67 VanDerWaalsContact O-N 3.15Å; F61-A67 HydrophobicContact CD1-CB 4.08Å; N63-A67 VanDerWaalsContact O-CB 3.27Å; N63-A67 WeakPolarHBondContact O-CB 3.35Å; N63-A67 PolarHBondContact O-N 2.78Å; R64-A67 PolarHBondContact O-N 2.95Å; A67-T70 PolarHBondContact O-N 3.33Å; A67-F71 VanDerWaalsContact O-CB 3.3Å; A67-F71 WeakPolarHBondContact O-CB 3.34Å; A67-F71 PolarHBondContact O-N 2.98Å; A67-V345 HydrophobicContact CB-CG2 4.48Å; A67-Y348 HydrophobicContact CB-CD2 4.03Å; A67-Y348 HydrophobicContact CB-CG 4.33Å
68Q86.2Confident88.3Confident18 Ų1836.1 Ų36.18%0.08416%0.164CC..Hα-helixtrans-64.1-44.9175.6-175.1-178.93.700111.5R64 T70 F71 R72 D339 Y348R64-Q68 WeakPolarHBondContact O-CB 3.34Å; R64-Q68 PolarHBondContact O-N 2.99Å; Q68-T70 VanDerWaalsContact C-N 3.33Å; Q68-T70 PolarHBondContact O-N 3.35Å; Q68-F71 PolarHBondContact O-N 2.94Å; Q68-R72 WeakPolarHBondContact O-CB 3.48Å; Q68-R72 PolarHBondContact O-N 3.45Å; Q68-D339 PolarHBondContact NE2-O 2.92Å; Q68-D339 PolarHBondContact NE2-OD1 3.45Å; Q68-Y348 HydrophobicContact CB-CE1 4.15Å; Q68-Y348 HydrophobicContact CB-CE2 3.86Å; Q68-Y348 HydrophobicContact CG-CE1 4.15Å; Q68-Y348 HydrophobicContact CG-CE2 4.45Å; Q68-Y348 VanDerWaalsContact CG-OH 3.27Å; Q68-Y348 WeakPolarHBondContact CG-OH 3.31Å
69R87.1Confident88.4Confident38 Ų3836.9 Ų36.914%0.14317%0.168CC..Hα-helixtrans-57.5-46.2174.4172.2163.2-171.4153.19111.5T65 E73 D168 G170T65-R69 WeakPolarHBondContact O-CB 3.44Å; T65-R69 PolarHBondContact O-N 3.1Å; R69-E73 WeakPolarHBondContact O-CB 3.22Å; R69-E73 PolarHBondContact O-N 2.88Å; R69-D168 IonicContact CZ-OD1 3.93Å; R69-D168 IonicContact NE-OD1 3.77Å; R69-D168 IonicContact NH2-OD1 2.77Å; R69-D168 PolarHBondContact NH2-OD1 2.95Å; R69-D168 IonicContact NH2-OD2 2.68Å; R69-D168 PolarHBondContact NH2-OD2 3Å; R69-G170 WeakPolarHBondContact CG-O 3.35Å
70T89.8Confident88.7Confident7 Ų734.2 Ų34.24%0.04315%0.154CC..Hα-helixtrans-67.8-43.4-179.2-55.10000111.6I57 A60 D66 A67 Q68 I74 I101I57-T70 HydrophobicContact CD1-CG2 4.1Å; A60-T70 HydrophobicContact CB-CG2 4.12Å; D66-T70 WeakPolarHBondContact O-CB 3.4Å; D66-T70 PolarHBondContact O-N 2.71Å; D66-T70 PolarHBondContact O-OG1 3.3Å; A67-T70 PolarHBondContact O-N 3.33Å; Q68-T70 VanDerWaalsContact C-N 3.33Å; Q68-T70 PolarHBondContact O-N 3.35Å; T70-I74 HydrophobicContact CG2-CD1 3.95Å; T70-I74 WeakPolarHBondContact O-CD1 3.33Å; T70-I74 VanDerWaalsContact O-CG1 3.26Å; T70-I74 WeakPolarHBondContact O-CG1 3.45Å; T70-I74 PolarHBondContact O-N 3.34Å; T70-I101 HydrophobicContact CG2-CG2 3.89Å
71F89.9Confident88.5Confident6 Ų635.5 Ų35.53%0.02617%0.167CC..Hα-helixtrans-57.7-53.1174.7-178.5-96.3000110.7A67 Q68 E73 I74 M75 V337 Y348 K351 L352 M355A67-F71 VanDerWaalsContact O-CB 3.3Å; A67-F71 WeakPolarHBondContact O-CB 3.34Å; A67-F71 PolarHBondContact O-N 2.98Å; Q68-F71 PolarHBondContact O-N 2.94Å; F71-E73 PolarHBondContact O-N 2.84Å; F71-I74 PolarHBondContact O-N 3.05Å; F71-I74 VanDerWaalsContact O-N 3.11Å; F71-M75 HydrophobicContact CD1-CG 3.83Å; F71-M75 HydrophobicContact CE1-CG 3.47Å; F71-M75 VanDerWaalsContact CE1-CG 3.47Å; F71-M75 HydrophobicContact CE1-SD 3.98Å; F71-M75 HydrophobicContact CE2-CE 4.2Å; F71-M75 HydrophobicContact CE2-CG 4.31Å; F71-M75 HydrophobicContact CE2-SD 4Å; F71-M75 HydrophobicContact CG-CG 4.38Å; F71-M75 HydrophobicContact CZ-CE 4.37Å; F71-M75 HydrophobicContact CZ-CG 3.73Å; F71-M75 HydrophobicContact CZ-SD 3.58Å; F71-M75 VanDerWaalsContact CZ-SD 3.58Å; F71-M75 WeakPolarHBondContact O-CG 3.4Å; F71-M75 PolarHBondContact O-N 3.38Å; F71-V337 HydrophobicContact CE1-CB 3.85Å; F71-V337 HydrophobicContact CE1-CG2 3.65Å; F71-V337 HydrophobicContact CZ-CB 4.43Å; F71-V337 HydrophobicContact CZ-CG2 3.73Å; F71-Y348 HydrophobicContact CB-CD1 3.91Å; F71-Y348 HydrophobicContact CB-CE1 4.48Å; F71-Y348 HydrophobicContact CD1-CD1 4.12Å; F71-Y348 HydrophobicContact CD1-CE1 4.25Å; F71-Y348 HydrophobicContact CD2-CD1 4.32Å; F71-Y348 AromaticContact CG-CD1 3.86Å; F71-Y348 HydrophobicContact CG-CD1 3.86Å; F71-Y348 HydrophobicContact CG-CE1 4.41Å; F71-K351 HydrophobicContact CE2-CB 4.35Å; F71-K351 HydrophobicContact CE2-CG 4.17Å; F71-K351 HydrophobicContact CZ-CD 4.27Å; F71-K351 HydrophobicContact CZ-CG 4.35Å; F71-L352 HydrophobicContact CD2-CB 4.11Å; F71-L352 HydrophobicContact CD2-CD1 4.09Å; F71-L352 HydrophobicContact CE2-CB 4.46Å; F71-M355 HydrophobicContact CE2-SD 4.45Å; F71-M355 HydrophobicContact CZ-SD 4.36Å
72R89.5Confident88.7Confident14 Ų1440.2 Ų40.25%0.05319%0.193CC..Hα-helixtrans-61.3-43.4-179.6-178.9167.664.1-125.1-7.2113.8Q68 I74 M75 F76 G170 A172 L335 D339Q68-R72 WeakPolarHBondContact O-CB 3.48Å; Q68-R72 PolarHBondContact O-N 3.45Å; R72-I74 VanDerWaalsContact C-N 3.25Å; R72-I74 PolarHBondContact O-N 3.23Å; R72-M75 PolarHBondContact O-N 3.01Å; R72-F76 HydrophobicContact CG-CD2 3.61Å; R72-F76 HydrophobicContact CG-CE2 3.47Å; R72-F76 VanDerWaalsContact CG-CE2 3.47Å; R72-F76 WeakPolarHBondContact O-CD2 3.47Å; R72-F76 PolarHBondContact O-N 3.47Å; R72-F76 VanDerWaalsContact O-N 3.1Å; R72-G170 PolarHBondContact NE-O 2.94Å; R72-G170 PolarHBondContact NH2-O 2.95Å; R72-A172 WeakPolarHBondContact CD-O 3.38Å; R72-L335 HydrophobicContact CG-CD1 3.92Å; R72-D339 WeakPolarHBondContact CD-OD2 3.33Å; R72-D339 IonicContact CZ-OD1 3.91Å; R72-D339 IonicContact CZ-OD2 2.71Å; R72-D339 IonicContact NE-OD2 3.39Å; R72-D339 VanDerWaalsContact NH1-CG 3.25Å; R72-D339 IonicContact NH1-OD1 3.49Å; R72-D339 PolarHBondContact NH1-OD1 3.28Å; R72-D339 IonicContact NH1-OD2 3.17Å; R72-D339 PolarHBondContact NH1-OD2 3.04Å; R72-D339 VanDerWaalsContact NH1-OD2 3.12Å
73E91.9Very high89.3Confident8 Ų832.1 Ų32.14%0.03716%0.163CC..Hα-helixtrans-53.7-47.2172.6178.3177.9-178.800109.9K55 R69 F71 L77K55-E73 IonicContact NZ-OE1 2.66Å; K55-E73 PolarHBondContact NZ-OE1 3.2Å; K55-E73 IonicContact NZ-OE2 2.64Å; K55-E73 PolarHBondContact NZ-OE2 2.77Å; R69-E73 WeakPolarHBondContact O-CB 3.22Å; R69-E73 PolarHBondContact O-N 2.88Å; F71-E73 PolarHBondContact O-N 2.84Å; E73-L77 HydrophobicContact CG-CD1 3.64Å; E73-L77 VanDerWaalsContact O-CB 3.28Å; E73-L77 WeakPolarHBondContact O-CB 3.24Å; E73-L77 VanDerWaalsContact O-CD1 3.26Å; E73-L77 WeakPolarHBondContact O-CD1 3.09Å; E73-L77 VanDerWaalsContact O-CG 3.23Å; E73-L77 WeakPolarHBondContact O-CG 3.31Å; E73-L77 PolarHBondContact O-N 2.76Å
74I92.6Very high89.8Confident0 Ų032.4 Ų32.40%017%0.168CC..Hα-helixtrans-70.7-37.9-178.2-63.4163000112.5T70 F71 R72 Q78 L89 V92 I101 L103 L352T70-I74 HydrophobicContact CG2-CD1 3.95Å; T70-I74 WeakPolarHBondContact O-CD1 3.33Å; T70-I74 VanDerWaalsContact O-CG1 3.26Å; T70-I74 WeakPolarHBondContact O-CG1 3.45Å; T70-I74 PolarHBondContact O-N 3.34Å; F71-I74 PolarHBondContact O-N 3.05Å; F71-I74 VanDerWaalsContact O-N 3.11Å; R72-I74 VanDerWaalsContact C-N 3.25Å; R72-I74 PolarHBondContact O-N 3.23Å; I74-Q78 HydrophobicContact CG2-CG 4.49Å; I74-Q78 VanDerWaalsContact CG2-NE2 3.26Å; I74-Q78 VanDerWaalsContact O-CG 3.27Å; I74-Q78 WeakPolarHBondContact O-CG 3.5Å; I74-Q78 PolarHBondContact O-N 3.31Å; I74-Q78 VanDerWaalsContact O-N 3.08Å; I74-L89 HydrophobicContact CB-CD2 4.36Å; I74-L89 HydrophobicContact CG1-CD2 4.41Å; I74-L89 HydrophobicContact CG2-CD2 3.88Å; I74-V92 HydrophobicContact CD1-CG1 4.39Å; I74-V92 HydrophobicContact CG2-CG2 4.07Å; I74-I101 HydrophobicContact CD1-CD1 4.11Å; I74-L103 HydrophobicContact CD1-CD2 3.71Å; I74-L103 HydrophobicContact CG1-CD1 4.06Å; I74-L103 HydrophobicContact CG1-CD2 3.83Å; I74-L352 HydrophobicContact CB-CD1 4.12Å; I74-L352 HydrophobicContact CD1-CD1 3.8Å; I74-L352 HydrophobicContact CD1-CD2 3.75Å; I74-L352 HydrophobicContact CD1-CG 4.38Å; I74-L352 HydrophobicContact CG2-CD1 3.81Å
75M91.6Very high90.5Very high13 Ų1326.7 Ų26.76%0.06415%0.146CC..Hα-helixtrans-64.9-53178.8-63.8-61.290.500111.7F71 R72 L77 Q78 E79 L335 L352 M355F71-M75 HydrophobicContact CD1-CG 3.83Å; F71-M75 HydrophobicContact CE1-CG 3.47Å; F71-M75 VanDerWaalsContact CE1-CG 3.47Å; F71-M75 HydrophobicContact CE1-SD 3.98Å; F71-M75 HydrophobicContact CE2-CE 4.2Å; F71-M75 HydrophobicContact CE2-CG 4.31Å; F71-M75 HydrophobicContact CE2-SD 4Å; F71-M75 HydrophobicContact CG-CG 4.38Å; F71-M75 HydrophobicContact CZ-CE 4.37Å; F71-M75 HydrophobicContact CZ-CG 3.73Å; F71-M75 HydrophobicContact CZ-SD 3.58Å; F71-M75 VanDerWaalsContact CZ-SD 3.58Å; F71-M75 WeakPolarHBondContact O-CG 3.4Å; F71-M75 PolarHBondContact O-N 3.38Å; R72-M75 PolarHBondContact O-N 3.01Å; M75-L77 VanDerWaalsContact C-N 3.28Å; M75-L77 PolarHBondContact O-N 3.04Å; M75-Q78 PolarHBondContact O-N 3.2Å; M75-E79 PolarHBondContact O-N 3.21Å; M75-L335 HydrophobicContact CB-CD2 3.83Å; M75-L352 HydrophobicContact CE-CD1 3.99Å; M75-M355 HydrophobicContact CE-CE 3.93Å; M75-M355 HydrophobicContact CE-SD 3.98Å; M75-M355 HydrophobicContact SD-CE 3.41Å; M75-M355 WeakPolarHBondContact SD-CE 3.45Å; M75-M355 HydrophobicContact SD-SD 3.59Å
76F93.3Very high91.1Very high0 Ų023.1 Ų23.10%012%0.124CC..Hα-helixtrans-58.4-40.8178.1-79.9-51.2000112.1R72 Q78 E79 F80 V146 F169 A172 V333 L335R72-F76 HydrophobicContact CG-CD2 3.61Å; R72-F76 HydrophobicContact CG-CE2 3.47Å; R72-F76 VanDerWaalsContact CG-CE2 3.47Å; R72-F76 WeakPolarHBondContact O-CD2 3.47Å; R72-F76 PolarHBondContact O-N 3.47Å; R72-F76 VanDerWaalsContact O-N 3.1Å; F76-Q78 PolarHBondContact O-N 3.08Å; F76-E79 PolarHBondContact O-N 3.47Å; F76-F80 HydrophobicContact CB-CD2 4.32Å; F76-F80 HydrophobicContact CB-CE2 3.63Å; F76-F80 HydrophobicContact CB-CZ 4.07Å; F76-F80 HydrophobicContact CD1-CE1 4.39Å; F76-F80 HydrophobicContact CD1-CE2 4.04Å; F76-F80 AromaticContact CD1-CZ 3.57Å; F76-F80 HydrophobicContact CD1-CZ 3.57Å; F76-F80 HydrophobicContact CE1-CZ 4.35Å; F76-F80 HydrophobicContact CG-CE2 4.12Å; F76-F80 HydrophobicContact CG-CZ 4.12Å; F76-F80 WeakPolarHBondContact O-CD2 3.22Å; F76-F80 VanDerWaalsContact O-CG 3.31Å; F76-F80 WeakPolarHBondContact O-CG 3.3Å; F76-F80 PolarHBondContact O-N 3.32Å; F76-V146 HydrophobicContact CD1-CG1 4.2Å; F76-V146 HydrophobicContact CD1-CG2 4.39Å; F76-V146 HydrophobicContact CE1-CB 4.41Å; F76-V146 HydrophobicContact CE1-CG1 3.67Å; F76-V146 HydrophobicContact CE1-CG2 3.78Å; F76-V146 HydrophobicContact CZ-CG1 3.88Å; F76-F169 HydrophobicContact CB-CB 4.04Å; F76-F169 HydrophobicContact CB-CG 4.4Å; F76-F169 HydrophobicContact CD2-CB 4.37Å; F76-A172 HydrophobicContact CD2-CB 3.8Å; F76-A172 HydrophobicContact CE2-CB 3.6Å; F76-A172 HydrophobicContact CZ-CB 4.31Å; F76-V333 HydrophobicContact CD1-CG1 4.06Å; F76-V333 HydrophobicContact CE1-CG1 3.85Å; F76-L335 HydrophobicContact CD1-CD2 3.93Å; F76-L335 HydrophobicContact CD2-CD1 4.47Å; F76-L335 HydrophobicContact CE1-CD1 4.32Å; F76-L335 HydrophobicContact CE1-CD2 3.8Å; F76-L335 HydrophobicContact CE1-CG 4.16Å; F76-L335 HydrophobicContact CE2-CD1 3.91Å; F76-L335 HydrophobicContact CG-CD2 4.38Å; F76-L335 HydrophobicContact CZ-CD1 3.81Å; F76-L335 HydrophobicContact CZ-CD2 4.15Å; F76-L335 HydrophobicContact CZ-CG 4.1Å
77L93.8Very high91.7Very high4 Ų421.7 Ų21.72%0.02112%0.117CC..Hα-helixtrans-74.7-7.6177.2-71.1167.5000114.7E73 M75 I86 I87 L89 F105 F169E73-L77 HydrophobicContact CG-CD1 3.64Å; E73-L77 VanDerWaalsContact O-CB 3.28Å; E73-L77 WeakPolarHBondContact O-CB 3.24Å; E73-L77 VanDerWaalsContact O-CD1 3.26Å; E73-L77 WeakPolarHBondContact O-CD1 3.09Å; E73-L77 VanDerWaalsContact O-CG 3.23Å; E73-L77 WeakPolarHBondContact O-CG 3.31Å; E73-L77 PolarHBondContact O-N 2.76Å; M75-L77 VanDerWaalsContact C-N 3.28Å; M75-L77 PolarHBondContact O-N 3.04Å; L77-I86 HydrophobicContact CD2-CG2 4.32Å; L77-I87 HydrophobicContact CD2-CG2 3.67Å; L77-I87 VanDerWaalsContact CD2-O 3.24Å; L77-I87 WeakPolarHBondContact CD2-O 3.26Å; L77-L89 HydrophobicContact CB-CB 3.92Å; L77-L89 HydrophobicContact CB-CD2 4.01Å; L77-F105 HydrophobicContact CD1-CE1 3.91Å; L77-F105 HydrophobicContact CD1-CZ 4.13Å; L77-F169 HydrophobicContact CD1-CD2 4.32Å; L77-F169 HydrophobicContact CD2-CD2 3.51Å; L77-F169 HydrophobicContact CD2-CE2 3.69Å; L77-F169 HydrophobicContact CG-CD2 3.82Å; L77-F169 HydrophobicContact CG-CE2 4.48Å; L77-F169 HydrophobicContact CG-CG 4.5Å
78Q90.7Very high92.1Very high33 Ų3324.9 Ų24.915%0.15413%0.13CC..Hα-helixtrans-90.2-36.4165.9-73.8178.32200111.4I74 M75 F76 L89I74-Q78 HydrophobicContact CG2-CG 4.49Å; I74-Q78 VanDerWaalsContact CG2-NE2 3.26Å; I74-Q78 VanDerWaalsContact O-CG 3.27Å; I74-Q78 WeakPolarHBondContact O-CG 3.5Å; I74-Q78 PolarHBondContact O-N 3.31Å; I74-Q78 VanDerWaalsContact O-N 3.08Å; M75-Q78 PolarHBondContact O-N 3.2Å; F76-Q78 PolarHBondContact O-N 3.08Å; Q78-L89 HydrophobicContact CG-CD2 4.44Å
79E91.6Very high92.5Very high81 Ų8124.1 Ų24.138%0.37913%0.127SC..Hα-helixtrans-69.1-47.7-179.4-167.760.8-150.500112.9M75 F76 G81 Y331 V333M75-E79 PolarHBondContact O-N 3.21Å; F76-E79 PolarHBondContact O-N 3.47Å; E79-G81 PolarHBondContact O-N 3.08Å; E79-Y331 VanDerWaalsContact OE1-CE2 3.28Å; E79-Y331 WeakPolarHBondContact OE1-CE2 3.19Å; E79-Y331 PolarHBondContact OE1-OH 3.32Å; E79-V333 HydrophobicContact CG-CG1 3.92Å; E79-V333 HydrophobicContact CG-CG2 3.97Å
80F91.9Very high92.9Very high3 Ų325.7 Ų25.71%0.01314%0.138CC..THydrogen-bonded Turntrans-70.3-2.1-178-53.5-37.3000114.7F76 D82 H83 I86 Y140 L141 V146 F169 V333F76-F80 HydrophobicContact CB-CD2 4.32Å; F76-F80 HydrophobicContact CB-CE2 3.63Å; F76-F80 HydrophobicContact CB-CZ 4.07Å; F76-F80 HydrophobicContact CD1-CE1 4.39Å; F76-F80 HydrophobicContact CD1-CE2 4.04Å; F76-F80 AromaticContact CD1-CZ 3.57Å; F76-F80 HydrophobicContact CD1-CZ 3.57Å; F76-F80 HydrophobicContact CE1-CZ 4.35Å; F76-F80 HydrophobicContact CG-CE2 4.12Å; F76-F80 HydrophobicContact CG-CZ 4.12Å; F76-F80 WeakPolarHBondContact O-CD2 3.22Å; F76-F80 VanDerWaalsContact O-CG 3.31Å; F76-F80 WeakPolarHBondContact O-CG 3.3Å; F76-F80 PolarHBondContact O-N 3.32Å; F80-D82 PolarHBondContact O-N 2.99Å; F80-D82 VanDerWaalsContact O-N 3.08Å; F80-H83 PolarHBondContact O-N 3Å; F80-I86 HydrophobicContact CB-CD1 4.03Å; F80-I86 HydrophobicContact CB-CG2 4.12Å; F80-I86 HydrophobicContact CD2-CD1 4.25Å; F80-I86 HydrophobicContact CD2-CG2 4.24Å; F80-I86 HydrophobicContact CG-CD1 4.14Å; F80-Y140 HydrophobicContact CB-CE1 4Å; F80-Y140 AromaticContact CD1-CE1 3.97Å; F80-Y140 HydrophobicContact CD1-CE1 3.97Å; F80-Y140 HydrophobicContact CG-CE1 4.31Å; F80-L141 HydrophobicContact CD1-CD2 4.01Å; F80-L141 HydrophobicContact CD2-CD2 3.79Å; F80-L141 HydrophobicContact CE1-CD2 3.61Å; F80-L141 HydrophobicContact CE2-CD2 3.36Å; F80-L141 HydrophobicContact CG-CD2 4.11Å; F80-L141 HydrophobicContact CZ-CD2 3.28Å; F80-V146 HydrophobicContact CE1-CG2 4.21Å; F80-V146 HydrophobicContact CZ-CB 4.23Å; F80-V146 HydrophobicContact CZ-CG1 4.06Å; F80-V146 HydrophobicContact CZ-CG2 4.06Å; F80-F169 HydrophobicContact CD2-CD1 4.25Å; F80-F169 AromaticContact CD2-CE1 3.9Å; F80-F169 HydrophobicContact CD2-CE1 3.9Å; F80-F169 HydrophobicContact CD2-CZ 4.12Å; F80-F169 AromaticContact CE2-CD1 3.56Å; F80-F169 HydrophobicContact CE2-CD1 3.56Å; F80-F169 AromaticContact CE2-CE1 3.47Å; F80-F169 HydrophobicContact CE2-CE1 3.47Å; F80-F169 VanDerWaalsContact CE2-CE1 3.47Å; F80-F169 HydrophobicContact CE2-CG 4.29Å; F80-F169 HydrophobicContact CE2-CZ 4.16Å; F80-F169 HydrophobicContact CZ-CE1 4.48Å; F80-V333 HydrophobicContact CE1-CG2 4.29Å
81G81.2Confident93Very high28 Ų2827.8 Ų27.829%0.28915%0.149SC..THydrogen-bonded Turntrans48.9-109.5167.300000114.8E79E79-G81 PolarHBondContact O-N 3.08Å
82D89.5Confident93.2Very high117 Ų11727.8 Ų27.863%0.62615%0.149SC*.THydrogen-bonded Turntrans-115.120.8-169.1-80.729.1000112.8F80 K88F80-D82 PolarHBondContact O-N 2.99Å; F80-D82 VanDerWaalsContact O-N 3.08Å; D82-K88 WeakPolarHBondContact OD1-CD 3.43Å; D82-K88 WeakPolarHBondContact OD1-CE 3.44Å; D82-K88 IonicContact OD1-NZ 3.51Å; D82-K88 PolarHBondContact OD1-NZ 2.87Å; D82-K88 IonicContact OD2-NZ 2.88Å; D82-K88 PolarHBondContact OD2-NZ 3.14Å
83H96.8Very high93.3Very high9 Ų927.5 Ų27.54%0.04215%0.149CC..  trans-58.3122176.3-176.6-99.1000110.7F80 N85 I86 K136 Y140F80-H83 PolarHBondContact O-N 3Å; H83-N85 PolarHBondContact ND1-N 2.93Å; H83-N85 PolarHBondContact O-N 2.74Å; H83-I86 HydrophobicContact CB-CB 4.35Å; H83-I86 HydrophobicContact CB-CD1 4.12Å; H83-I86 HydrophobicContact CB-CG1 4.46Å; H83-I86 PolarHBondContact O-N 3.3Å; H83-K136 WeakPolarHBondContact NE2-CE 3.43Å; H83-Y140 HydrophobicContact CB-CD1 4.04Å; H83-Y140 HydrophobicContact CB-CE1 3.87Å; H83-Y140 HydrophobicContact CB-CG 4.48Å; H83-Y140 AromaticContact CD2-CD2 3.93Å; H83-Y140 AromaticContact CD2-CG 3.79Å; H83-Y140 AromaticContact CG-CD1 3.91Å; H83-Y140 AromaticContact CG-CG 3.99Å
84P96.7Very high93.3Very high60 Ų6032.6 Ų32.639%0.3917%0.168SC..THydrogen-bonded Turntrans-65.2-16.3-165.123.9-36.2000114.6K165P84-K165 WeakPolarHBondContact O-CD 3.27Å; P84-K165 WeakPolarHBondContact O-CE 3.46Å; P84-K165 PolarHBondContact O-NZ 2.99Å
85N98.4Very high93.2Very high6 Ų632.7 Ų32.73%0.03217%0.168CC..THydrogen-bonded Turntrans-111.413.8179.3-59.3112.2000114.9H83 Q133 K136 A137 V164 L166H83-N85 PolarHBondContact ND1-N 2.93Å; H83-N85 PolarHBondContact O-N 2.74Å; N85-Q133 HydrophobicContact CB-CB 4.48Å; N85-Q133 PolarHBondContact ND2-OE1 3.11Å; N85-K136 WeakPolarHBondContact OD1-CD 3.43Å; N85-K136 WeakPolarHBondContact OD1-CE 3.35Å; N85-A137 HydrophobicContact CB-CB 4.1Å; N85-V164 VanDerWaalsContact CA-O 3.24Å; N85-V164 WeakPolarHBondContact CA-O 3.18Å; N85-V164 PolarHBondContact ND2-O 3.23Å; N85-L166 PolarHBondContact O-N 3.27Å
86I98.3Very high93Very high5 Ų538.5 Ų38.53%0.02620%0.195CC..BIsolated β-bridgetrans-115.3142.5169.4-68168.7000108.3L77 F80 H83 K88 A137 Y140 L141 K165 F169L77-I86 HydrophobicContact CD2-CG2 4.32Å; F80-I86 HydrophobicContact CB-CD1 4.03Å; F80-I86 HydrophobicContact CB-CG2 4.12Å; F80-I86 HydrophobicContact CD2-CD1 4.25Å; F80-I86 HydrophobicContact CD2-CG2 4.24Å; F80-I86 HydrophobicContact CG-CD1 4.14Å; H83-I86 HydrophobicContact CB-CB 4.35Å; H83-I86 HydrophobicContact CB-CD1 4.12Å; H83-I86 HydrophobicContact CB-CG1 4.46Å; H83-I86 PolarHBondContact O-N 3.3Å; I86-K88 PolarHBondContact O-N 3.03Å; I86-A137 HydrophobicContact CG1-CB 4.35Å; I86-Y140 HydrophobicContact CD1-CD1 3.76Å; I86-Y140 HydrophobicContact CD1-CE1 4.23Å; I86-L141 HydrophobicContact CD1-CD2 3.81Å; I86-L141 HydrophobicContact CD1-CG 4.07Å; I86-K165 VanDerWaalsContact O-CD 3.24Å; I86-K165 WeakPolarHBondContact O-CD 3.15Å; I86-K165 PolarHBondContact O-NZ 3.07Å; I86-F169 HydrophobicContact CG1-CZ 4.27Å; I86-F169 HydrophobicContact CG2-CE2 3.78Å; I86-F169 HydrophobicContact CG2-CZ 3.73Å
87I97.1Very high92.5Very high5 Ų541.9 Ų41.93%0.02621%0.213CC..  trans-67.1127.9-179-163.270.1000111.6L77 F105 E106 M108 L157 K165 L166 C167L77-I87 HydrophobicContact CD2-CG2 3.67Å; L77-I87 VanDerWaalsContact CD2-O 3.24Å; L77-I87 WeakPolarHBondContact CD2-O 3.26Å; I87-F105 HydrophobicContact CG1-CB 4.27Å; I87-F105 HydrophobicContact CG1-CD1 3.82Å; I87-F105 HydrophobicContact CG1-CG 4.3Å; I87-F105 HydrophobicContact CG2-CD1 4.23Å; I87-F105 HydrophobicContact CG2-CE1 4.15Å; I87-E106 HydrophobicContact CD1-CG 3.49Å; I87-E106 VanDerWaalsContact CD1-CG 3.49Å; I87-E106 HydrophobicContact CG1-CG 4.36Å; I87-M108 HydrophobicContact CD1-CG 3.96Å; I87-L157 HydrophobicContact CD1-CD1 4.03Å; I87-L157 HydrophobicContact CG1-CD1 4.44Å; I87-K165 HydrophobicContact CB-CB 4.33Å; I87-K165 HydrophobicContact CD1-CB 3.93Å; I87-K165 HydrophobicContact CD1-CG 4.2Å; I87-L166 WeakPolarHBondContact CB-O 3.49Å; I87-L166 WeakPolarHBondContact CG2-O 3.34Å; I87-L166 PolarHBondContact N-O 2.93Å; I87-C167 HydrophobicContact CB-CB 4.12Å; I87-C167 HydrophobicContact CG2-CB 3.58Å
88K96Very high91.8Very high67 Ų6744 Ų4429%0.29123%0.225SC..  trans-86.7118.9-176.5-174.7170.2173.2166.50111.9D82 I86 L90 F105 E106D82-K88 WeakPolarHBondContact OD1-CD 3.43Å; D82-K88 WeakPolarHBondContact OD1-CE 3.44Å; D82-K88 IonicContact OD1-NZ 3.51Å; D82-K88 PolarHBondContact OD1-NZ 2.87Å; D82-K88 IonicContact OD2-NZ 2.88Å; D82-K88 PolarHBondContact OD2-NZ 3.14Å; I86-K88 PolarHBondContact O-N 3.03Å; K88-L90 HydrophobicContact CD-CD2 4.11Å; K88-L90 HydrophobicContact CG-CD2 4.02Å; K88-L90 PolarHBondContact O-N 3.1Å; K88-F105 WeakPolarHBondContact O-CA 3.37Å; K88-E106 HydrophobicContact CB-CG 4.49Å; K88-E106 WeakPolarHBondContact CB-OE1 3.38Å; K88-E106 PolarHBondContact N-OE1 3.44Å; K88-E106 PolarHBondContact O-N 2.94Å
89L95.4Very high91.5Very high3 Ų348.1 Ų48.12%0.01624%0.242CC..EExtended strand (participates in β ladder)trans-8195.4173.4179.860.9000110.8I74 L77 Q78 N91 V92 L103 F105 R359I74-L89 HydrophobicContact CB-CD2 4.36Å; I74-L89 HydrophobicContact CG1-CD2 4.41Å; I74-L89 HydrophobicContact CG2-CD2 3.88Å; L77-L89 HydrophobicContact CB-CB 3.92Å; L77-L89 HydrophobicContact CB-CD2 4.01Å; Q78-L89 HydrophobicContact CG-CD2 4.44Å; L89-N91 WeakPolarHBondContact CD1-O 3.3Å; L89-V92 HydrophobicContact CD1-CG2 4.22Å; L89-V92 HydrophobicContact CD2-CG2 3.9Å; L89-V92 HydrophobicContact CG-CG2 4.2Å; L89-L103 HydrophobicContact CD1-CB 3.93Å; L89-L103 HydrophobicContact CD1-CD2 4.49Å; L89-F105 HydrophobicContact CB-CD1 4.31Å; L89-F105 HydrophobicContact CB-CE1 3.95Å; L89-F105 HydrophobicContact CD1-CD1 4.19Å; L89-F105 HydrophobicContact CD1-CE1 3.73Å; L89-F105 HydrophobicContact CD1-CE2 4.42Å; L89-F105 HydrophobicContact CD1-CZ 3.87Å; L89-F105 HydrophobicContact CG-CE1 4.4Å; L89-R359 PolarHBondContact O-NH1 3.48Å
90L94.1Very high91.4Very high70 Ų7044.8 Ų44.837%0.36623%0.227SC..EExtended strand (participates in β ladder)trans-67.8-43.3-177.2-56.5177.4000112.4V52 K88 I104V52-L90 HydrophobicContact CG1-CD1 3.78Å; K88-L90 HydrophobicContact CD-CD2 4.11Å; K88-L90 HydrophobicContact CG-CD2 4.02Å; K88-L90 PolarHBondContact O-N 3.1Å; L90-I104 WeakPolarHBondContact CA-O 3.27Å; L90-I104 WeakPolarHBondContact CB-O 3.35Å; L90-I104 PolarHBondContact N-O 2.96Å
91N92.8Very high91.5Very high51 Ų5144.7 Ų44.727%0.27323%0.226SC..EExtended strand (participates in β ladder)trans-156.4156.9-175-158.5-9000112.1Y26 L89 I104Y26-N91 PolarHBondContact OH-ND2 3.22Å; L89-N91 WeakPolarHBondContact CD1-O 3.3Å; N91-I104 HydrophobicContact CB-CB 3.9Å; N91-I104 HydrophobicContact CB-CG1 3.88Å; N91-I104 PolarHBondContact N-O 3.35Å; N91-I104 PolarHBondContact O-N 2.9Å
92V93.5Very high92.1Very high6 Ų643.3 Ų43.34%0.03621%0.213CC..EExtended strand (participates in β ladder)trans-128.1133174.3-173.40000108.4I74 L89 I101 L103 M356 R360I74-V92 HydrophobicContact CD1-CG1 4.39Å; I74-V92 HydrophobicContact CG2-CG2 4.07Å; L89-V92 HydrophobicContact CD1-CG2 4.22Å; L89-V92 HydrophobicContact CD2-CG2 3.9Å; L89-V92 HydrophobicContact CG-CG2 4.2Å; V92-I101 HydrophobicContact CG1-CD1 3.59Å; V92-I101 HydrophobicContact CG1-CG1 4.02Å; V92-L103 HydrophobicContact CB-CD2 4.45Å; V92-L103 HydrophobicContact CG1-CD2 3.82Å; V92-L103 HydrophobicContact CG2-CD2 4.13Å; V92-M356 HydrophobicContact CB-CE 4.03Å; V92-M356 HydrophobicContact CB-CG 4.12Å; V92-M356 HydrophobicContact CB-SD 3.88Å; V92-M356 HydrophobicContact CG1-CE 3.82Å; V92-M356 HydrophobicContact CG1-CG 4.2Å; V92-M356 HydrophobicContact CG1-SD 3.37Å; V92-M356 WeakPolarHBondContact CG1-SD 3.18Å; V92-M356 VanDerWaalsContact O-CE 3.26Å; V92-M356 WeakPolarHBondContact O-CE 3.27Å; V92-R360 PolarHBondContact O-NH2 3Å
93I92.6Very high92.4Very high9 Ų937.8 Ų37.85%0.04618%0.183CC..EExtended strand (participates in β ladder)trans-136.2122.5-174.8-53.6177000110I22 Y26 Y102 I104I22-I93 HydrophobicContact CD1-CB 4.35Å; I22-I93 HydrophobicContact CD1-CD1 4.43Å; I22-I93 HydrophobicContact CD1-CG2 3.72Å; Y26-I93 HydrophobicContact CE2-CD1 3.64Å; I93-Y102 PolarHBondContact N-O 2.87Å; I93-Y102 PolarHBondContact O-N 3.31Å; I93-I104 HydrophobicContact CD1-CD1 4.33Å; I93-I104 HydrophobicContact CD1-CG1 4.17Å
94R90.9Very high92.3Very high115 Ų11537.4 Ų37.443%0.43418%0.181SC..EExtended strand (participates in β ladder)trans-62.6133.5172.2172.4172.6-178.4-177.8-2.5110.7H21 D98 Y353H21-R94 PolarHBondContact NE2-O 2.88Å; R94-D98 IonicContact CZ-OD1 2.71Å; R94-D98 IonicContact CZ-OD2 2.82Å; R94-D98 IonicContact NE-OD1 3.86Å; R94-D98 PolarHBondContact NE-OD1 3.03Å; R94-D98 IonicContact NH2-OD1 3.11Å; R94-D98 PolarHBondContact NH2-OD1 3.11Å; R94-D98 IonicContact NH2-OD2 3.91Å; R94-D98 PolarHBondContact NH2-OD2 3.36Å; R94-Y353 HydrophobicContact CB-CE1 4.03Å; R94-Y353 VanDerWaalsContact CD-CE2 3.49Å; R94-Y353 HydrophobicContact CG-CE1 4.18Å; R94-Y353 HydrophobicContact CG-CE2 4.15Å
95A90.2Very high92.3Very high1 Ų135.2 Ų35.21%0.00817%0.166CC..  trans-75.7150.9167.600000110.8E19 N97 D98 D100 Y102E19-A95 VanDerWaalsContact OE2-CA 3.28Å; E19-A95 WeakPolarHBondContact OE2-CA 3.5Å; E19-A95 WeakPolarHBondContact OE2-CB 3.39Å; A95-N97 PolarHBondContact O-N 2.78Å; A95-D98 PolarHBondContact O-N 2.85Å; A95-D100 HydrophobicContact CB-CB 3.69Å; A95-D100 WeakPolarHBondContact CB-O 3.27Å; A95-Y102 HydrophobicContact CB-CD2 4.18Å; A95-Y102 HydrophobicContact CB-CE2 3.8Å
96Q87.7Confident92.2Very high136 Ų13637.1 Ų37.164%0.63617%0.174SC*.THydrogen-bonded Turntrans-66-21.3178-65178.1-21.100112.6E19 D98E19-Q96 PolarHBondContact OE2-N 3.29Å; Q96-D98 VanDerWaalsContact C-N 3.34Å
97N84.3Confident92.1Very high71 Ų7138.5 Ų38.538%0.3818%0.179SC..THydrogen-bonded Turntrans-85.8-0.3-179.372.812.5000114.8A95 K99 D100A95-N97 PolarHBondContact O-N 2.78Å; N97-K99 PolarHBondContact O-N 2.73Å; N97-K99 PolarHBondContact OD1-N 2.94Å; N97-K99 VanDerWaalsContact OD1-N 3.09Å; N97-D100 VanDerWaalsContact ND2-CG 3.33Å; N97-D100 PolarHBondContact ND2-OD2 2.86Å; N97-D100 PolarHBondContact OD1-N 3.03Å
98D78.7Confident92.1Very high48 Ų4838.5 Ų38.526%0.25718%0.179SC..SBendtrans59.98.5177-96.820.5000117.3R94 A95 Q96 R349R94-D98 IonicContact CZ-OD1 2.71Å; R94-D98 IonicContact CZ-OD2 2.82Å; R94-D98 IonicContact NE-OD1 3.86Å; R94-D98 PolarHBondContact NE-OD1 3.03Å; R94-D98 IonicContact NH2-OD1 3.11Å; R94-D98 PolarHBondContact NH2-OD1 3.11Å; R94-D98 IonicContact NH2-OD2 3.91Å; R94-D98 PolarHBondContact NH2-OD2 3.36Å; A95-D98 PolarHBondContact O-N 2.85Å; Q96-D98 VanDerWaalsContact C-N 3.34Å; D98-R349 PolarHBondContact O-NH1 3.09Å; D98-R349 IonicContact OD2-CZ 3Å; D98-R349 IonicContact OD2-NH1 2.9Å; D98-R349 PolarHBondContact OD2-NH1 3.16Å
99K83.4Confident92Very high119 Ų11937.2 Ų37.252%0.51718%0.176SC..SBendtrans-113.4-41.3179-65.6175.4-177.7-177.90112.6D59 A60 F61 N97D59-K99 CarbonylContact C-O 3.55Å; A60-K99 PolarHBondContact N-O 2.68Å; F61-K99 PolarHBondContact N-O 3.36Å; N97-K99 PolarHBondContact O-N 2.73Å; N97-K99 PolarHBondContact OD1-N 2.94Å; N97-K99 VanDerWaalsContact OD1-N 3.09Å
100D90.6Very high91.9Very high12 Ų1237.4 Ų37.46%0.06418%0.177CC..  trans-89.9162.5-178.8-58.2-22.2000111.1K56 I57 F58 D59 A95 N97K56-D100 VanDerWaalsContact CE-CB 3.44Å; K56-D100 VanDerWaalsContact CE-CG 3.46Å; K56-D100 WeakPolarHBondContact CE-OD2 3.13Å; K56-D100 HydrophobicContact CG-CB 4.49Å; K56-D100 IonicContact NZ-OD2 2.8Å; K56-D100 PolarHBondContact NZ-OD2 3.18Å; I57-D100 VanDerWaalsContact O-CA 3.29Å; I57-D100 WeakPolarHBondContact O-CA 3.49Å; I57-D100 WeakPolarHBondContact O-CB 3.34Å; F58-D100 VanDerWaalsContact CA-OD1 3.29Å; F58-D100 WeakPolarHBondContact CA-OD1 3.39Å; D59-D100 PolarHBondContact N-OD1 2.93Å; A95-D100 HydrophobicContact CB-CB 3.69Å; A95-D100 WeakPolarHBondContact CB-O 3.27Å; N97-D100 VanDerWaalsContact ND2-CG 3.33Å; N97-D100 PolarHBondContact ND2-OD2 2.86Å; N97-D100 PolarHBondContact OD1-N 3.03Å
101I92.5Very high91.9Very high0 Ų034.6 Ų34.60%016%0.162CC..EExtended strand (participates in β ladder)trans-141.8144.8171.3-164.1167.8000111.2K56 I57 A60 F61 T70 I74 V92 L103 L352K56-I101 WeakPolarHBondContact CA-O 3.27Å; I57-I101 HydrophobicContact CB-CG2 3.97Å; I57-I101 HydrophobicContact CD1-CG2 4.24Å; I57-I101 HydrophobicContact CG1-CG2 4.41Å; I57-I101 PolarHBondContact N-O 3.29Å; I57-I101 PolarHBondContact O-N 3.35Å; I57-I101 VanDerWaalsContact O-N 3.08Å; A60-I101 HydrophobicContact CB-CG2 3.93Å; F61-I101 HydrophobicContact CZ-CD1 4.43Å; T70-I101 HydrophobicContact CG2-CG2 3.89Å; I74-I101 HydrophobicContact CD1-CD1 4.11Å; V92-I101 HydrophobicContact CG1-CD1 3.59Å; V92-I101 HydrophobicContact CG1-CG1 4.02Å; I101-L103 HydrophobicContact CG1-CD2 4.41Å; I101-L352 HydrophobicContact CD1-CD2 3.49Å; I101-L352 VanDerWaalsContact CD1-CD2 3.49Å
102Y94.6Very high92.1Very high0 Ų032.1 Ų32.10%015%0.149CC..EExtended strand (participates in β ladder)trans-105.8120.1176.6-64.8-96.9000109.8V18 E19 I22 V54 K55 K56 I93 A95V18-Y102 HydrophobicContact CG1-CE1 4.21Å; E19-Y102 VanDerWaalsContact CD-OH 3.23Å; E19-Y102 PolarHBondContact N-OH 2.79Å; E19-Y102 VanDerWaalsContact N-OH 3.1Å; E19-Y102 WeakPolarHBondContact OE1-CE2 3.42Å; E19-Y102 PolarHBondContact OE1-OH 2.68Å; I22-Y102 HydrophobicContact CD1-CD1 4.2Å; I22-Y102 HydrophobicContact CD1-CD2 3.79Å; I22-Y102 HydrophobicContact CD1-CE1 4.41Å; I22-Y102 HydrophobicContact CD1-CE2 4.04Å; I22-Y102 HydrophobicContact CD1-CG 3.87Å; I22-Y102 HydrophobicContact CG1-CD1 4.08Å; I22-Y102 HydrophobicContact CG1-CD2 4.12Å; I22-Y102 HydrophobicContact CG1-CE1 3.83Å; I22-Y102 HydrophobicContact CG1-CE2 3.89Å; I22-Y102 HydrophobicContact CG1-CG 4.21Å; I22-Y102 HydrophobicContact CG2-CD1 4.46Å; I22-Y102 HydrophobicContact CG2-CE1 4.48Å; V54-Y102 HydrophobicContact CG1-CD1 4.03Å; K55-Y102 WeakPolarHBondContact O-CA 3.41Å; K56-Y102 HydrophobicContact CB-CD1 3.81Å; K56-Y102 HydrophobicContact CB-CE1 3.73Å; K56-Y102 HydrophobicContact CD-CD1 4.44Å; K56-Y102 HydrophobicContact CD-CE1 3.63Å; K56-Y102 HydrophobicContact CD-CE2 4.27Å; K56-Y102 WeakPolarHBondContact CD-OH 3.49Å; K56-Y102 WeakPolarHBondContact CE-OH 3.17Å; K56-Y102 HydrophobicContact CG-CD1 4.05Å; K56-Y102 HydrophobicContact CG-CE1 3.73Å; K56-Y102 HydrophobicContact CG-CE2 4.4Å; K56-Y102 PolarHBondContact NZ-OH 3.12Å; I93-Y102 PolarHBondContact N-O 2.87Å; I93-Y102 PolarHBondContact O-N 3.31Å; A95-Y102 HydrophobicContact CB-CD2 4.18Å; A95-Y102 HydrophobicContact CB-CE2 3.8Å
103L94.9Very high92.2Very high0 Ų035 Ų350%016%0.162CC..EExtended strand (participates in β ladder)trans-102133.3170.7-52.2-169.5000108.9K55 I57 I74 L89 V92 I101 F105K55-L103 HydrophobicContact CB-CB 4.34Å; K55-L103 HydrophobicContact CD-CD1 4.36Å; K55-L103 PolarHBondContact N-O 3.43Å; K55-L103 PolarHBondContact O-N 2.83Å; I57-L103 HydrophobicContact CD1-CD1 3.76Å; I57-L103 HydrophobicContact CD1-CG 4.14Å; I74-L103 HydrophobicContact CD1-CD2 3.71Å; I74-L103 HydrophobicContact CG1-CD1 4.06Å; I74-L103 HydrophobicContact CG1-CD2 3.83Å; L89-L103 HydrophobicContact CD1-CB 3.93Å; L89-L103 HydrophobicContact CD1-CD2 4.49Å; V92-L103 HydrophobicContact CB-CD2 4.45Å; V92-L103 HydrophobicContact CG1-CD2 3.82Å; V92-L103 HydrophobicContact CG2-CD2 4.13Å; I101-L103 HydrophobicContact CG1-CD2 4.41Å; L103-F105 HydrophobicContact CB-CD2 4.24Å; L103-F105 HydrophobicContact CB-CE2 3.48Å; L103-F105 VanDerWaalsContact CB-CE2 3.48Å; L103-F105 HydrophobicContact CB-CZ 3.94Å; L103-F105 HydrophobicContact CD1-CE2 4.15Å; L103-F105 HydrophobicContact CD1-CZ 3.97Å; L103-F105 HydrophobicContact CG-CE2 4.46Å
104I96.5Very high92.2Very high2 Ų235.3 Ų35.31%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-112.2119.7-179.7-44.1-61.3000108.1Y26 V52 V54 L90 N91 I93Y26-I104 HydrophobicContact CD2-CD1 4.36Å; Y26-I104 HydrophobicContact CE1-CG2 3.89Å; Y26-I104 HydrophobicContact CE2-CD1 3.9Å; Y26-I104 HydrophobicContact CE2-CG1 4.2Å; V52-I104 HydrophobicContact CB-CG2 4.05Å; V52-I104 HydrophobicContact CG1-CG2 4.4Å; V52-I104 HydrophobicContact CG2-CG2 4.12Å; V54-I104 HydrophobicContact CB-CD1 4.32Å; V54-I104 HydrophobicContact CG1-CD1 3.91Å; V54-I104 HydrophobicContact CG2-CD1 4.06Å; L90-I104 WeakPolarHBondContact CA-O 3.27Å; L90-I104 WeakPolarHBondContact CB-O 3.35Å; L90-I104 PolarHBondContact N-O 2.96Å; N91-I104 HydrophobicContact CB-CB 3.9Å; N91-I104 HydrophobicContact CB-CG1 3.88Å; N91-I104 PolarHBondContact N-O 3.35Å; N91-I104 PolarHBondContact O-N 2.9Å; I93-I104 HydrophobicContact CD1-CD1 4.33Å; I93-I104 HydrophobicContact CD1-CG1 4.17Å
105F96.6Very high92.4Very high14 Ų1430.8 Ų30.86%0.06115%0.151CC..EExtended strand (participates in β ladder)trans-115.6162.7-178.2-65.5-79.5000111.3V52 A53 K55 L77 I87 K88 L89 L103V52-F105 WeakPolarHBondContact CA-O 3.4Å; V52-F105 WeakPolarHBondContact CB-O 3.37Å; A53-F105 HydrophobicContact CB-CB 4.28Å; A53-F105 PolarHBondContact N-O 2.85Å; A53-F105 PolarHBondContact O-N 3.1Å; K55-F105 HydrophobicContact CB-CD2 4.25Å; K55-F105 HydrophobicContact CB-CE2 4.03Å; K55-F105 HydrophobicContact CD-CE2 3.85Å; L77-F105 HydrophobicContact CD1-CE1 3.91Å; L77-F105 HydrophobicContact CD1-CZ 4.13Å; I87-F105 HydrophobicContact CG1-CB 4.27Å; I87-F105 HydrophobicContact CG1-CD1 3.82Å; I87-F105 HydrophobicContact CG1-CG 4.3Å; I87-F105 HydrophobicContact CG2-CD1 4.23Å; I87-F105 HydrophobicContact CG2-CE1 4.15Å; K88-F105 WeakPolarHBondContact O-CA 3.37Å; L89-F105 HydrophobicContact CB-CD1 4.31Å; L89-F105 HydrophobicContact CB-CE1 3.95Å; L89-F105 HydrophobicContact CD1-CD1 4.19Å; L89-F105 HydrophobicContact CD1-CE1 3.73Å; L89-F105 HydrophobicContact CD1-CE2 4.42Å; L89-F105 HydrophobicContact CD1-CZ 3.87Å; L89-F105 HydrophobicContact CG-CE1 4.4Å; L103-F105 HydrophobicContact CB-CD2 4.24Å; L103-F105 HydrophobicContact CB-CE2 3.48Å; L103-F105 VanDerWaalsContact CB-CE2 3.48Å; L103-F105 HydrophobicContact CB-CZ 3.94Å; L103-F105 HydrophobicContact CD1-CE2 4.15Å; L103-F105 HydrophobicContact CD1-CZ 3.97Å; L103-F105 HydrophobicContact CG-CE2 4.46Å
106E95.5Very high92.5Very high45 Ų4531.2 Ų31.221%0.2115%0.153CC..EExtended strand (participates in β ladder)trans-55.9150.7156.270.3-166.4139.500110.3I87 K88 K165I87-E106 HydrophobicContact CD1-CG 3.49Å; I87-E106 VanDerWaalsContact CD1-CG 3.49Å; I87-E106 HydrophobicContact CG1-CG 4.36Å; K88-E106 HydrophobicContact CB-CG 4.49Å; K88-E106 WeakPolarHBondContact CB-OE1 3.38Å; K88-E106 PolarHBondContact N-OE1 3.44Å; K88-E106 PolarHBondContact O-N 2.94Å; E106-K165 WeakPolarHBondContact OE1-CD 3.3Å; E106-K165 VanDerWaalsContact OE1-CE 3.22Å; E106-K165 WeakPolarHBondContact OE1-CE 3.37Å; E106-K165 IonicContact OE1-NZ 3.18Å; E106-K165 PolarHBondContact OE1-NZ 2.8Å; E106-K165 WeakPolarHBondContact OE2-CE 3.43Å; E106-K165 IonicContact OE2-NZ 3.67Å; E106-K165 PolarHBondContact OE2-NZ 3.37Å
107Y96.4Very high92.8Very high35 Ų3532.3 Ų32.314%0.13716%0.156CC..  trans-94129.1-177.9168.2-89.3000111I32 K42 T51 D109I32-Y107 HydrophobicContact CD1-CD2 4.38Å; I32-Y107 HydrophobicContact CD1-CE2 4.17Å; K42-Y107 HydrophobicContact CB-CD2 4.01Å; K42-Y107 HydrophobicContact CB-CE2 3.72Å; K42-Y107 HydrophobicContact CD-CD2 3.99Å; K42-Y107 HydrophobicContact CD-CE1 4.24Å; K42-Y107 HydrophobicContact CD-CE2 3.33Å; K42-Y107 VanDerWaalsContact CE-CE1 3.44Å; K42-Y107 VanDerWaalsContact CE-CE2 3.5Å; K42-Y107 HydrophobicContact CG-CD2 3.64Å; K42-Y107 HydrophobicContact CG-CE2 3.44Å; K42-Y107 VanDerWaalsContact CG-CE2 3.44Å; K42-Y107 HydrophobicContact CG-CG 4.42Å; K42-Y107 PolarHBondContact NZ-OH 3.46Å; T51-Y107 HydrophobicContact CG2-CD1 3.86Å; T51-Y107 HydrophobicContact CG2-CD2 4.27Å; T51-Y107 HydrophobicContact CG2-CG 3.7Å; Y107-D109 HydrophobicContact CE1-CB 4.44Å; Y107-D109 WeakPolarHBondContact CE1-OD1 3.46Å; Y107-D109 VanDerWaalsContact CZ-OD1 3.26Å; Y107-D109 PolarHBondContact OH-OD1 2.98Å
108M96.4Very high92.9Very high5 Ų532.7 Ų32.73%0.02515%0.154CC..  trans-106.9162.7167.3-54.7-55.9-72.500109.3I87 L157 D159 I163 K165 Y592I87-M108 HydrophobicContact CD1-CG 3.96Å; M108-L157 HydrophobicContact CB-CB 3.92Å; M108-L157 HydrophobicContact CG-CB 3.74Å; M108-L157 HydrophobicContact CG-CD1 4.1Å; M108-D159 HydrophobicContact CE-CB 3.86Å; M108-I163 WeakPolarHBondContact CE-O 3.37Å; M108-K165 HydrophobicContact CE-CB 4.06Å; M108-K165 HydrophobicContact CE-CG 3.5Å; M108-K165 HydrophobicContact CG-CB 4.33Å; M108-K165 HydrophobicContact CG-CG 4.28Å; M108-K165 HydrophobicContact SD-CB 4.22Å; M108-K165 HydrophobicContact SD-CG 3.55Å; M108-K165 VanDerWaalsContact SD-CG 3.55Å; M108-Y592 HydrophobicContact CB-CE1 4.14Å; M108-Y592 WeakPolarHBondContact O-CE1 3.33Å
109D93.4Very high92.9Very high40 Ų4032 Ų3221%0.21416%0.158CC..SBendtrans-88.9-30.1-178.6-81.6-68.8000113.8K42 Y107 L158 I595K42-D109 IonicContact NZ-OD1 2.68Å; Y107-D109 HydrophobicContact CE1-CB 4.44Å; Y107-D109 WeakPolarHBondContact CE1-OD1 3.46Å; Y107-D109 VanDerWaalsContact CZ-OD1 3.26Å; Y107-D109 PolarHBondContact OH-OD1 2.98Å; D109-L158 PolarHBondContact N-O 3.23Å; D109-I595 HydrophobicContact CB-CD1 4.05Å
110T94Very high92.4Very high7 Ų732.4 Ų32.44%0.04318%0.176CC..EExtended strand (participates in β ladder)trans-159.1-175.1-177.8-159.40000113V115 L157 L158 I595T110-V115 HydrophobicContact CG2-CG2 3.44Å; T110-V115 VanDerWaalsContact CG2-CG2 3.44Å; T110-L157 WeakPolarHBondContact O-CA 3.34Å; T110-L158 HydrophobicContact CG2-CB 4.06Å; T110-L158 PolarHBondContact N-O 2.99Å; T110-L158 PolarHBondContact O-N 3Å; T110-I595 HydrophobicContact CG2-CD1 4.06Å
111D95.1Very high92Very high10 Ų1033.6 Ų33.65%0.05318%0.182CC..EExtended strand (participates in β ladder)trans-116.2156.4170.462.673.2000110.8H113 A114 V115 V156 L157 Y592D111-H113 VanDerWaalsContact C-N 3.26Å; D111-H113 PolarHBondContact O-N 3.46Å; D111-H113 WeakPolarHBondContact OD1-CB 3.1Å; D111-H113 PolarHBondContact OD1-N 3.38Å; D111-A114 PolarHBondContact O-N 2.96Å; D111-A114 WeakPolarHBondContact OD1-CB 3.24Å; D111-A114 PolarHBondContact OD1-N 3.25Å; D111-V115 PolarHBondContact O-N 3.45Å; D111-V156 CarbonylContact C-O 3.56Å; D111-V156 WeakPolarHBondContact CA-O 3.36Å; D111-L157 HydrophobicContact CB-CD2 4.01Å; D111-Y592 WeakPolarHBondContact OD2-CB 3.49Å
112L96.6Very high91.9Very high0 Ų034.7 Ų34.70%019%0.188CC..Hα-helixtrans-63.2-31.1-177.2179.666.5000111.9V115 I116 L122 V130 P153 V156 L158 I220 M224L112-V115 PolarHBondContact O-N 3.25Å; L112-I116 HydrophobicContact CD1-CD1 4.14Å; L112-I116 HydrophobicContact CD1-CG1 4.1Å; L112-I116 HydrophobicContact CD2-CD1 4.32Å; L112-I116 HydrophobicContact CG-CD1 3.81Å; L112-I116 HydrophobicContact CG-CG1 4.21Å; L112-I116 VanDerWaalsContact O-CG1 3.28Å; L112-I116 WeakPolarHBondContact O-CG1 3.41Å; L112-I116 PolarHBondContact O-N 3.43Å; L112-L122 HydrophobicContact CD1-CD1 3.82Å; L112-V130 HydrophobicContact CD1-CG1 4.46Å; L112-V130 HydrophobicContact CD2-CG1 4.03Å; L112-P153 CarbonylContact C-O 3.53Å; L112-P153 WeakPolarHBondContact CA-O 3.49Å; L112-P153 HydrophobicContact CB-CB 4.08Å; L112-P153 WeakPolarHBondContact CB-O 3.36Å; L112-P153 HydrophobicContact CD2-CB 4.19Å; L112-P153 HydrophobicContact CG-CB 4.06Å; L112-P153 PolarHBondContact N-O 3.45Å; L112-P153 VanDerWaalsContact N-O 3.08Å; L112-V156 HydrophobicContact CB-CB 3.95Å; L112-V156 HydrophobicContact CB-CG1 4Å; L112-V156 HydrophobicContact CD2-CB 4.2Å; L112-V156 HydrophobicContact CD2-CG1 3.99Å; L112-V156 PolarHBondContact N-O 2.56Å; L112-L158 HydrophobicContact CB-CD1 4.16Å; L112-L158 HydrophobicContact CD1-CD1 3.92Å; L112-I220 HydrophobicContact CD2-CG2 3.69Å; L112-M224 HydrophobicContact CD1-CG 4.24Å; L112-M224 HydrophobicContact CD1-SD 3.91Å; L112-M224 HydrophobicContact CD2-CG 4.29Å; L112-M224 HydrophobicContact CD2-SD 4.14Å
113H95Very high91.8Very high65 Ų6541.6 Ų41.630%0.30122%0.218SC..Hα-helixtrans-62.4-45.7174.9-178.268.2000111.4D111 V115 I116 K117 P153 E223D111-H113 VanDerWaalsContact C-N 3.26Å; D111-H113 PolarHBondContact O-N 3.46Å; D111-H113 WeakPolarHBondContact OD1-CB 3.1Å; D111-H113 PolarHBondContact OD1-N 3.38Å; H113-V115 VanDerWaalsContact C-N 3.29Å; H113-V115 PolarHBondContact O-N 2.97Å; H113-I116 PolarHBondContact O-N 3.01Å; H113-K117 WeakPolarHBondContact O-CB 3.24Å; H113-K117 PolarHBondContact O-N 3.49Å; H113-P153 HydrophobicContact CB-CB 3.84Å; H113-P153 PolarHBondContact N-O 3.27Å; H113-E223 IonicContact ND1-OE1 3.68Å; H113-E223 PolarHBondContact ND1-OE1 3.36Å
114A93.2Very high91.7Very high16 Ų1643.7 Ų43.713%0.13223%0.23CC..Hα-helixtrans-63.9-32.5176.300000112.7D111 K118D111-A114 PolarHBondContact O-N 2.96Å; D111-A114 WeakPolarHBondContact OD1-CB 3.24Å; D111-A114 PolarHBondContact OD1-N 3.25Å; A114-K118 WeakPolarHBondContact O-CG 3.47Å; A114-K118 PolarHBondContact O-N 2.91Å
115V93.9Very high91.7Very high20 Ų2046.5 Ų46.512%0.12124%0.244CC..Hα-helixtrans-72.8-48.7174.9176.50000111.7T110 D111 L112 H113 K117 K118 L121 L122 L158T110-V115 HydrophobicContact CG2-CG2 3.44Å; T110-V115 VanDerWaalsContact CG2-CG2 3.44Å; D111-V115 PolarHBondContact O-N 3.45Å; L112-V115 PolarHBondContact O-N 3.25Å; H113-V115 VanDerWaalsContact C-N 3.29Å; H113-V115 PolarHBondContact O-N 2.97Å; V115-K117 VanDerWaalsContact C-N 3.35Å; V115-K117 PolarHBondContact O-N 3.47Å; V115-K118 PolarHBondContact O-N 2.88Å; V115-L121 HydrophobicContact CG1-CB 4.11Å; V115-L121 HydrophobicContact CG1-CD1 4.12Å; V115-L122 HydrophobicContact CG1-CD1 3.96Å; V115-L122 HydrophobicContact CG1-CD2 3.93Å; V115-L122 HydrophobicContact CG1-CG 3.7Å; V115-L158 HydrophobicContact CB-CD1 4.37Å; V115-L158 HydrophobicContact CG2-CD1 3.9Å
116I94.1Very high91.7Very high10 Ų1049 Ų495%0.05126%0.256CS..Hα-helixtrans-59.5-47.5177.7-67.1171.5000110.1L112 H113 K118 G119 L122 P153 E223 M224L112-I116 HydrophobicContact CD1-CD1 4.14Å; L112-I116 HydrophobicContact CD1-CG1 4.1Å; L112-I116 HydrophobicContact CD2-CD1 4.32Å; L112-I116 HydrophobicContact CG-CD1 3.81Å; L112-I116 HydrophobicContact CG-CG1 4.21Å; L112-I116 VanDerWaalsContact O-CG1 3.28Å; L112-I116 WeakPolarHBondContact O-CG1 3.41Å; L112-I116 PolarHBondContact O-N 3.43Å; H113-I116 PolarHBondContact O-N 3.01Å; I116-K118 PolarHBondContact O-N 2.88Å; I116-G119 PolarHBondContact O-N 2.79Å; I116-L122 HydrophobicContact CG1-CD1 3.72Å; I116-P153 HydrophobicContact CD1-CB 4.27Å; I116-P153 HydrophobicContact CD1-CG 4.31Å; I116-E223 HydrophobicContact CD1-CG 3.89Å; I116-E223 HydrophobicContact CG2-CG 4.07Å; I116-M224 HydrophobicContact CD1-CB 4.35Å; I116-M224 HydrophobicContact CD1-CG 3.53Å; I116-M224 HydrophobicContact CG1-CG 4.06Å
117K92.1Very high91.8Very high160 Ų16048.3 Ų48.370%0.69625%0.252SS*.Hα-helixtrans-62.1-23.9-178.4-176.7173.2-179.3175.50114.3H113 V115 G119H113-K117 WeakPolarHBondContact O-CB 3.24Å; H113-K117 PolarHBondContact O-N 3.49Å; V115-K117 VanDerWaalsContact C-N 3.35Å; V115-K117 PolarHBondContact O-N 3.47Å; K117-G119 VanDerWaalsContact C-N 3.3Å
118K87.4Confident91.9Very high78 Ų7848.4 Ų48.434%0.33925%0.252SS..Hα-helixtrans-73.8-20.9173.7-81.9177172.7-173.10113A114 V115 I116 L121 I595 L600A114-K118 WeakPolarHBondContact O-CG 3.47Å; A114-K118 PolarHBondContact O-N 2.91Å; V115-K118 PolarHBondContact O-N 2.88Å; I116-K118 PolarHBondContact O-N 2.88Å; K118-L121 HydrophobicContact CB-CD1 3.72Å; K118-L121 HydrophobicContact CD-CD1 3.9Å; K118-L121 HydrophobicContact CG-CD1 4.46Å; K118-I595 PolarHBondContact NZ-O 3.2Å; K118-L600 HydrophobicContact CD-CD1 4.32Å; K118-L600 HydrophobicContact CD-CD2 3.96Å
119G77.8Confident92Very high34 Ų3451.1 Ų51.135%0.35126%0.262SS..  trans69.9167.7-173.100000113.1I116 K117 L121I116-G119 PolarHBondContact O-N 2.79Å; K117-G119 VanDerWaalsContact C-N 3.3Å; G119-L121 WeakPolarHBondContact O-CG 3.3Å; G119-L121 PolarHBondContact O-N 3.15Å
120S74.8Confident92.2Very high128 Ų12849.2 Ų49.290%0.89525%0.252SS*.SBendtrans52.1-16.4172.568.20000120.5
121L82.2Confident92.4Very high36 Ų3648.9 Ų48.919%0.18825%0.25CS..  trans-69.1-37.8-178-65.1167.9000113.3V115 K118 G119 K123 H126 L600 I604V115-L121 HydrophobicContact CG1-CB 4.11Å; V115-L121 HydrophobicContact CG1-CD1 4.12Å; K118-L121 HydrophobicContact CB-CD1 3.72Å; K118-L121 HydrophobicContact CD-CD1 3.9Å; K118-L121 HydrophobicContact CG-CD1 4.46Å; G119-L121 WeakPolarHBondContact O-CG 3.3Å; G119-L121 PolarHBondContact O-N 3.15Å; L121-K123 PolarHBondContact O-N 3.45Å; L121-K123 VanDerWaalsContact O-N 3.15Å; L121-H126 PolarHBondContact O-CE1 2.95Å; L121-H126 PolarHBondContact O-ND1 2.79Å; L121-L600 HydrophobicContact CD1-CD1 3.77Å; L121-L600 HydrophobicContact CD1-CD2 4.37Å; L121-L600 HydrophobicContact CD2-CD1 3.85Å; L121-L600 HydrophobicContact CD2-CD2 4.22Å; L121-L600 HydrophobicContact CD2-CG 4.13Å; L121-L600 HydrophobicContact CG-CD1 4.49Å; L121-I604 HydrophobicContact CD2-CD1 4.49Å
122L88.8Confident92.6Very high23 Ų2349.2 Ų49.212%0.1225%0.251CS..  trans-87.184-176.8-67172.7000111.4L112 V115 I116 H126 K127 M224L112-L122 HydrophobicContact CD1-CD1 3.82Å; V115-L122 HydrophobicContact CG1-CD1 3.96Å; V115-L122 HydrophobicContact CG1-CD2 3.93Å; V115-L122 HydrophobicContact CG1-CG 3.7Å; I116-L122 HydrophobicContact CG1-CD1 3.72Å; L122-H126 HydrophobicContact CD2-CB 3.73Å; L122-K127 HydrophobicContact CB-CG 4.17Å; L122-K127 PolarHBondContact O-NZ 3.19Å; L122-M224 HydrophobicContact CD1-CG 4.09Å; L122-M224 HydrophobicContact CD1-SD 4.09Å
123K93.1Very high92.7Very high145 Ų14549.4 Ų49.463%0.6325%0.252SS*.  trans-54.1152.7158.9-62.4179.9-179.6177.80109.4L121 I125 H126 K127L121-K123 PolarHBondContact O-N 3.45Å; L121-K123 VanDerWaalsContact O-N 3.15Å; K123-I125 HydrophobicContact CB-CG2 4.14Å; K123-I125 PolarHBondContact O-N 3.45Å; K123-H126 PolarHBondContact N-ND1 3.32Å; K123-H126 WeakPolarHBondContact O-CA 3.1Å; K123-H126 VanDerWaalsContact O-CB 3.31Å; K123-H126 WeakPolarHBondContact O-CB 3.37Å; K123-H126 PolarHBondContact O-N 3.26Å; K123-K127 PolarHBondContact O-N 3.3Å
124D93.8Very high92.9Very high45 Ų4546.3 Ų46.324%0.24124%0.237CC..Hα-helixtrans-57-37.3-176.6-177.250.7000113H126 K127 R128 Y316D124-H126 PolarHBondContact O-N 2.98Å; D124-K127 WeakPolarHBondContact O-CB 3.37Å; D124-K127 PolarHBondContact O-N 3.09Å; D124-R128 WeakPolarHBondContact O-CG 3.46Å; D124-R128 PolarHBondContact O-N 2.86Å; D124-R128 IonicContact OD1-NE 2.71Å; D124-R128 IonicContact OD2-CZ 3.83Å; D124-R128 IonicContact OD2-NE 2.7Å; D124-R128 PolarHBondContact OD2-NE 3.36Å; D124-R128 IonicContact OD2-NH2 3.78Å; D124-R128 PolarHBondContact OD2-NH2 3.47Å; D124-R128 VanDerWaalsContact OD2-NH2 3.1Å; D124-Y316 PolarHBondContact OD1-OH 2.83Å
125I95.7Very high93.2Very high61 Ų6145.6 Ų45.631%0.31323%0.231SC..Hα-helixtrans-59.2-30.5173.2-168.163.7000113.6K123 Y129 F320K123-I125 HydrophobicContact CB-CG2 4.14Å; K123-I125 PolarHBondContact O-N 3.45Å; I125-Y129 WeakPolarHBondContact O-CB 3.27Å; I125-Y129 PolarHBondContact O-N 3.07Å; I125-Y129 VanDerWaalsContact O-N 3.16Å; I125-F320 HydrophobicContact CD1-CE2 3.96Å; I125-F320 HydrophobicContact CD1-CZ 3.54Å; I125-F320 HydrophobicContact CG1-CZ 4.14Å
126H96.3Very high93.4Very high66 Ų6645.6 Ų45.631%0.30623%0.23SC..Hα-helixtrans-73.1-42.2173-51.8165.4000110.5L121 L122 K123 D124 R128 Y129 V130L121-H126 PolarHBondContact O-CE1 2.95Å; L121-H126 PolarHBondContact O-ND1 2.79Å; L122-H126 HydrophobicContact CD2-CB 3.73Å; K123-H126 PolarHBondContact N-ND1 3.32Å; K123-H126 WeakPolarHBondContact O-CA 3.1Å; K123-H126 VanDerWaalsContact O-CB 3.31Å; K123-H126 WeakPolarHBondContact O-CB 3.37Å; K123-H126 PolarHBondContact O-N 3.26Å; D124-H126 PolarHBondContact O-N 2.98Å; H126-R128 PolarHBondContact O-N 2.91Å; H126-Y129 PolarHBondContact O-N 2.98Å; H126-V130 WeakPolarHBondContact O-CG2 3.18Å; H126-V130 PolarHBondContact O-N 3.48Å
127K97.4Very high93.6Very high31 Ų3145.1 Ų45.114%0.13523%0.227CC..Hα-helixtrans-59.2-47.5176.4-58.5-173.6179.380.60111.5L122 K123 D124 Y129 V130 M131 M224 L225 Y316L122-K127 HydrophobicContact CB-CG 4.17Å; L122-K127 PolarHBondContact O-NZ 3.19Å; K123-K127 PolarHBondContact O-N 3.3Å; D124-K127 WeakPolarHBondContact O-CB 3.37Å; D124-K127 PolarHBondContact O-N 3.09Å; K127-Y129 VanDerWaalsContact C-N 3.35Å; K127-Y129 PolarHBondContact O-N 2.83Å; K127-V130 PolarHBondContact O-N 2.89Å; K127-M131 WeakPolarHBondContact O-CG 3.39Å; K127-M131 PolarHBondContact O-N 3.07Å; K127-M224 HydrophobicContact CB-CE 4.32Å; K127-M224 HydrophobicContact CB-SD 4.26Å; K127-M224 HydrophobicContact CD-CB 4.1Å; K127-M224 VanDerWaalsContact CE-C 3.49Å; K127-M224 WeakPolarHBondContact CE-O 3.41Å; K127-M224 HydrophobicContact CG-CB 4.23Å; K127-M224 HydrophobicContact CG-SD 4.25Å; K127-L225 HydrophobicContact CD-CD2 3.87Å; K127-Y316 WeakPolarHBondContact CB-OH 3.49Å
128R98.4Very high93.9Very high36 Ų3637.5 Ų37.514%0.13619%0.194CC..Hα-helixtrans-57.1-44.9174.3-68.1174.7-173.3-98-6.9112.1D124 H126 M131 Y132 D289 Y316 F320D124-R128 WeakPolarHBondContact O-CG 3.46Å; D124-R128 PolarHBondContact O-N 2.86Å; D124-R128 IonicContact OD1-NE 2.71Å; D124-R128 IonicContact OD2-CZ 3.83Å; D124-R128 IonicContact OD2-NE 2.7Å; D124-R128 PolarHBondContact OD2-NE 3.36Å; D124-R128 IonicContact OD2-NH2 3.78Å; D124-R128 PolarHBondContact OD2-NH2 3.47Å; D124-R128 VanDerWaalsContact OD2-NH2 3.1Å; H126-R128 PolarHBondContact O-N 2.91Å; R128-M131 PolarHBondContact O-N 3.4Å; R128-Y132 WeakPolarHBondContact O-CB 3.42Å; R128-Y132 PolarHBondContact O-N 3.38Å; R128-D289 IonicContact CZ-OD1 3.46Å; R128-D289 IonicContact CZ-OD2 2.7Å; R128-D289 VanDerWaalsContact CZ-OD2 3.32Å; R128-D289 IonicContact NH1-OD1 3.36Å; R128-D289 IonicContact NH1-OD2 3.14Å; R128-D289 PolarHBondContact NH1-OD2 3.24Å; R128-D289 IonicContact NH2-OD1 2.73Å; R128-D289 PolarHBondContact NH2-OD1 2.78Å; R128-D289 IonicContact NH2-OD2 2.87Å; R128-D289 PolarHBondContact NH2-OD2 3.2Å; R128-D289 VanDerWaalsContact NH2-OD2 3.11Å; R128-Y316 HydrophobicContact CB-CE1 4.25Å; R128-Y316 WeakPolarHBondContact CD-O 3.17Å; R128-Y316 HydrophobicContact CG-CD1 4.02Å; R128-Y316 HydrophobicContact CG-CD2 3.93Å; R128-Y316 HydrophobicContact CG-CE1 3.61Å; R128-Y316 HydrophobicContact CG-CE2 3.45Å; R128-Y316 VanDerWaalsContact CG-CE2 3.45Å; R128-Y316 HydrophobicContact CG-CG 4.18Å; R128-Y316 WeakPolarHBondContact CG-O 3.36Å; R128-Y316 PolarHBondContact NH1-O 2.68Å; R128-F320 HydrophobicContact CB-CD2 4.4Å; R128-F320 HydrophobicContact CB-CE2 3.78Å
129Y98.3Very high94.5Very high63 Ų6335.1 Ų35.125%0.24718%0.184CC..Hα-helixtrans-70-33.9-179.5-168.9-128.5000113.1I125 H126 K127 Y132 Q133 C162 I163 F320I125-Y129 WeakPolarHBondContact O-CB 3.27Å; I125-Y129 PolarHBondContact O-N 3.07Å; I125-Y129 VanDerWaalsContact O-N 3.16Å; H126-Y129 PolarHBondContact O-N 2.98Å; K127-Y129 VanDerWaalsContact C-N 3.35Å; K127-Y129 PolarHBondContact O-N 2.83Å; Y129-Y132 HydrophobicContact CD2-CD1 4.11Å; Y129-Y132 HydrophobicContact CE2-CD1 4.14Å; Y129-Y132 HydrophobicContact CE2-CE1 4.49Å; Y129-Q133 VanDerWaalsContact CD1-NE2 3.33Å; Y129-Q133 VanDerWaalsContact CE1-NE2 3.3Å; Y129-Q133 HydrophobicContact CE2-CG 4.32Å; Y129-Q133 VanDerWaalsContact O-CG 3.3Å; Y129-Q133 WeakPolarHBondContact O-CG 3.33Å; Y129-Q133 PolarHBondContact O-N 3.1Å; Y129-Q133 PolarHBondContact O-NE2 3.19Å; Y129-C162 HydrophobicContact CD1-CB 4.27Å; Y129-C162 WeakPolarHBondContact CE1-O 3.5Å; Y129-I163 HydrophobicContact CE1-CD1 4.36Å; Y129-I163 WeakPolarHBondContact OH-CD1 3.38Å; Y129-F320 AromaticContact CD2-CD1 3.57Å; Y129-F320 HydrophobicContact CD2-CD1 3.57Å; Y129-F320 HydrophobicContact CD2-CD2 4.24Å; Y129-F320 AromaticContact CD2-CE1 3.55Å; Y129-F320 HydrophobicContact CD2-CE1 3.55Å; Y129-F320 HydrophobicContact CD2-CE2 4.23Å; Y129-F320 AromaticContact CD2-CG 3.92Å; Y129-F320 HydrophobicContact CD2-CG 3.92Å; Y129-F320 AromaticContact CD2-CZ 3.89Å; Y129-F320 HydrophobicContact CD2-CZ 3.89Å; Y129-F320 HydrophobicContact CE2-CD1 4.06Å; Y129-F320 HydrophobicContact CE2-CE1 4.24Å; Y129-F320 HydrophobicContact CG-CE1 4.13Å; Y129-F320 HydrophobicContact CG-CZ 4.1Å
130V98.6Very high95.4Very high0 Ų034.9 Ų34.90%017%0.173CC..Hα-helixtrans-65.2-49.6171.1168.50000110.6L112 H126 K127 Y132 Q133 L134 L158 V164 M224L112-V130 HydrophobicContact CD1-CG1 4.46Å; L112-V130 HydrophobicContact CD2-CG1 4.03Å; H126-V130 WeakPolarHBondContact O-CG2 3.18Å; H126-V130 PolarHBondContact O-N 3.48Å; K127-V130 PolarHBondContact O-N 2.89Å; V130-Y132 PolarHBondContact O-N 2.84Å; V130-Q133 PolarHBondContact O-N 2.8Å; V130-L134 HydrophobicContact CG1-CD1 3.82Å; V130-L134 HydrophobicContact CG1-CG 4.43Å; V130-L134 WeakPolarHBondContact O-CG 3.26Å; V130-L134 PolarHBondContact O-N 2.92Å; V130-L158 HydrophobicContact CG2-CD2 4.18Å; V130-V164 HydrophobicContact CB-CG2 4.19Å; V130-V164 HydrophobicContact CG1-CG2 4.03Å; V130-V164 HydrophobicContact CG2-CG2 3.98Å; V130-M224 HydrophobicContact CB-CE 4.24Å; V130-M224 HydrophobicContact CB-SD 4.16Å; V130-M224 HydrophobicContact CG1-CE 3.91Å; V130-M224 HydrophobicContact CG1-SD 3.92Å
131M98.8Very high96.5Very high0 Ų028.8 Ų28.80%013%0.13CC..Hα-helixtrans-62.4-43179.2-67.5-45.6-60.200112.7K127 R128 Q133 L134 F135 L217 I220 L221 M224 Y316 V317K127-M131 WeakPolarHBondContact O-CG 3.39Å; K127-M131 PolarHBondContact O-N 3.07Å; R128-M131 PolarHBondContact O-N 3.4Å; M131-Q133 VanDerWaalsContact C-N 3.33Å; M131-Q133 PolarHBondContact O-N 3.36Å; M131-L134 PolarHBondContact O-N 3.4Å; M131-L134 HydrophobicContact SD-CD1 4.2Å; M131-F135 HydrophobicContact CB-CD2 4.41Å; M131-F135 HydrophobicContact CB-CE2 3.83Å; M131-F135 HydrophobicContact CB-CZ 4.22Å; M131-F135 HydrophobicContact CE-CE1 3.74Å; M131-F135 HydrophobicContact CE-CE2 4.26Å; M131-F135 HydrophobicContact CE-CZ 3.5Å; M131-F135 WeakPolarHBondContact O-CD2 3.28Å; M131-F135 VanDerWaalsContact O-CG 3.31Å; M131-F135 WeakPolarHBondContact O-CG 3.23Å; M131-F135 PolarHBondContact O-N 2.98Å; M131-L217 HydrophobicContact CE-CB 4.03Å; M131-L217 HydrophobicContact CE-CD2 4.36Å; M131-I220 HydrophobicContact SD-CG2 4.45Å; M131-L221 HydrophobicContact CE-CB 4.08Å; M131-L221 HydrophobicContact CG-CB 4.44Å; M131-L221 HydrophobicContact CG-CD1 3.95Å; M131-L221 HydrophobicContact SD-CB 3.89Å; M131-L221 HydrophobicContact SD-CD1 4.41Å; M131-M224 HydrophobicContact CG-CE 3.74Å; M131-M224 HydrophobicContact SD-CE 3.37Å; M131-M224 WeakPolarHBondContact SD-CE 3.45Å; M131-Y316 HydrophobicContact CG-CE1 4.27Å; M131-V317 HydrophobicContact CB-CG1 4.18Å
132Y98.8Very high97.3Very high17 Ų1727.9 Ų27.97%0.06712%0.124CC..Hα-helixtrans-52.8-49.6174.2165.9-111.4000112.1R128 Y129 V130 L134 F135 K136 L312 F320 E326R128-Y132 WeakPolarHBondContact O-CB 3.42Å; R128-Y132 PolarHBondContact O-N 3.38Å; Y129-Y132 HydrophobicContact CD2-CD1 4.11Å; Y129-Y132 HydrophobicContact CE2-CD1 4.14Å; Y129-Y132 HydrophobicContact CE2-CE1 4.49Å; V130-Y132 PolarHBondContact O-N 2.84Å; Y132-L134 VanDerWaalsContact C-N 3.34Å; Y132-L134 PolarHBondContact O-N 2.85Å; Y132-F135 PolarHBondContact O-N 3.26Å; Y132-K136 WeakPolarHBondContact O-CB 3.44Å; Y132-K136 PolarHBondContact O-N 2.6Å; Y132-L312 HydrophobicContact CD2-CD2 3.65Å; Y132-L312 HydrophobicContact CE2-CD2 3.73Å; Y132-F320 HydrophobicContact CD1-CB 3.53Å; Y132-F320 HydrophobicContact CD1-CG 4.26Å; Y132-F320 HydrophobicContact CD2-CB 3.84Å; Y132-F320 HydrophobicContact CE1-CB 3.9Å; Y132-F320 HydrophobicContact CE2-CB 4.21Å; Y132-F320 WeakPolarHBondContact CE2-O 3.25Å; Y132-F320 HydrophobicContact CG-CB 3.49Å; Y132-F320 VanDerWaalsContact CG-CB 3.49Å; Y132-F320 HydrophobicContact CG-CG 4.34Å; Y132-F320 PolarHBondContact OH-O 2.76Å; Y132-E326 HydrophobicContact CE2-CG 4.4Å; Y132-E326 WeakPolarHBondContact CE2-OE1 3.37Å
133Q98.8Very high97.7Very high4 Ų428.6 Ų28.62%0.01913%0.131CC..Hα-helixtrans-68.2-32.8-179.6-70.6176.594.600113N85 Y129 V130 M131 A137 C162 V164N85-Q133 HydrophobicContact CB-CB 4.48Å; N85-Q133 PolarHBondContact ND2-OE1 3.11Å; Y129-Q133 VanDerWaalsContact CD1-NE2 3.33Å; Y129-Q133 VanDerWaalsContact CE1-NE2 3.3Å; Y129-Q133 HydrophobicContact CE2-CG 4.32Å; Y129-Q133 VanDerWaalsContact O-CG 3.3Å; Y129-Q133 WeakPolarHBondContact O-CG 3.33Å; Y129-Q133 PolarHBondContact O-N 3.1Å; Y129-Q133 PolarHBondContact O-NE2 3.19Å; V130-Q133 PolarHBondContact O-N 2.8Å; M131-Q133 VanDerWaalsContact C-N 3.33Å; M131-Q133 PolarHBondContact O-N 3.36Å; Q133-A137 PolarHBondContact O-N 3.41Å; Q133-C162 PolarHBondContact NE2-O 3.22Å; Q133-V164 HydrophobicContact CB-CB 3.76Å; Q133-V164 HydrophobicContact CB-CG1 4.39Å; Q133-V164 HydrophobicContact CB-CG2 4.11Å
134L98.9Very high97.8Very high0 Ų021.7 Ų21.70%010%0.101CC..Hα-helixtrans-70.4-43.4174.7-73.7172.6000112.6V130 M131 Y132 K136 A137 N138 V156 V164 L217 I220V130-L134 HydrophobicContact CG1-CD1 3.82Å; V130-L134 HydrophobicContact CG1-CG 4.43Å; V130-L134 WeakPolarHBondContact O-CG 3.26Å; V130-L134 PolarHBondContact O-N 2.92Å; M131-L134 PolarHBondContact O-N 3.4Å; M131-L134 HydrophobicContact SD-CD1 4.2Å; Y132-L134 VanDerWaalsContact C-N 3.34Å; Y132-L134 PolarHBondContact O-N 2.85Å; L134-K136 VanDerWaalsContact C-N 3.31Å; L134-K136 PolarHBondContact O-N 2.77Å; L134-A137 PolarHBondContact O-N 2.89Å; L134-N138 WeakPolarHBondContact O-CB 3.31Å; L134-N138 PolarHBondContact O-N 2.92Å; L134-N138 PolarHBondContact O-ND2 3.5Å; L134-N138 VanDerWaalsContact O-ND2 3.15Å; L134-V156 HydrophobicContact CD1-CG1 4.37Å; L134-V156 HydrophobicContact CD1-CG2 4.37Å; L134-V156 HydrophobicContact CD2-CG1 4.02Å; L134-V156 HydrophobicContact CD2-CG2 3.8Å; L134-V164 HydrophobicContact CD2-CG1 3.8Å; L134-V164 HydrophobicContact CG-CG1 4.16Å; L134-L217 HydrophobicContact CB-CD2 3.66Å; L134-L217 HydrophobicContact CD1-CD2 3.84Å; L134-L217 HydrophobicContact CD2-CD2 4.34Å; L134-L217 HydrophobicContact CG-CD2 4.15Å; L134-I220 HydrophobicContact CD1-CG2 4.14Å
135F98.9Very high97.8Very high0 Ų021.7 Ų21.70%010%0.102CC..Hα-helixtrans-64.1-37.8173.3-59.3-43.8000111.5M131 Y132 N138 K139 M214 L217 L293 L297 A311 L312 V317M131-F135 HydrophobicContact CB-CD2 4.41Å; M131-F135 HydrophobicContact CB-CE2 3.83Å; M131-F135 HydrophobicContact CB-CZ 4.22Å; M131-F135 HydrophobicContact CE-CE1 3.74Å; M131-F135 HydrophobicContact CE-CE2 4.26Å; M131-F135 HydrophobicContact CE-CZ 3.5Å; M131-F135 WeakPolarHBondContact O-CD2 3.28Å; M131-F135 VanDerWaalsContact O-CG 3.31Å; M131-F135 WeakPolarHBondContact O-CG 3.23Å; M131-F135 PolarHBondContact O-N 2.98Å; Y132-F135 PolarHBondContact O-N 3.26Å; F135-N138 PolarHBondContact O-N 3.08Å; F135-K139 WeakPolarHBondContact O-CB 3.43Å; F135-K139 PolarHBondContact O-N 2.77Å; F135-M214 HydrophobicContact CD1-CE 3.87Å; F135-M214 HydrophobicContact CE1-CE 3.96Å; F135-L217 HydrophobicContact CD1-CD1 3.6Å; F135-L217 HydrophobicContact CE1-CB 4.27Å; F135-L217 HydrophobicContact CE1-CD1 3.77Å; F135-L293 HydrophobicContact CE2-CD1 4.23Å; F135-L293 HydrophobicContact CE2-CD2 3.85Å; F135-L293 HydrophobicContact CZ-CD1 3.94Å; F135-L293 HydrophobicContact CZ-CD2 3.86Å; F135-L293 HydrophobicContact CZ-CG 4.28Å; F135-L297 HydrophobicContact CE1-CD1 4.13Å; F135-L297 HydrophobicContact CE1-CD2 4.1Å; F135-L297 HydrophobicContact CZ-CD1 3.99Å; F135-A311 HydrophobicContact CB-CB 4.43Å; F135-A311 HydrophobicContact CD1-CB 3.63Å; F135-A311 HydrophobicContact CD2-CB 3.82Å; F135-A311 HydrophobicContact CE1-CB 3.72Å; F135-A311 HydrophobicContact CE2-CB 3.9Å; F135-A311 HydrophobicContact CG-CB 3.71Å; F135-A311 HydrophobicContact CZ-CB 3.87Å; F135-L312 HydrophobicContact CB-CD2 3.87Å; F135-L312 HydrophobicContact CB-CG 3.78Å; F135-V317 HydrophobicContact CD2-CG1 4.22Å; F135-V317 HydrophobicContact CD2-CG2 4.46Å; F135-V317 HydrophobicContact CE2-CG1 4.04Å
136K98.6Very high97.7Very high20 Ų2018.8 Ų18.89%0.0879%0.087CC..Hα-helixtrans-61.8-44172.7170.2175.1160.5169.50112.4H83 N85 Y132 L134 Y140 L312 K325H83-K136 WeakPolarHBondContact NE2-CE 3.43Å; N85-K136 WeakPolarHBondContact OD1-CD 3.43Å; N85-K136 WeakPolarHBondContact OD1-CE 3.35Å; Y132-K136 WeakPolarHBondContact O-CB 3.44Å; Y132-K136 PolarHBondContact O-N 2.6Å; L134-K136 VanDerWaalsContact C-N 3.31Å; L134-K136 PolarHBondContact O-N 2.77Å; K136-Y140 PolarHBondContact O-N 3.28Å; K136-L312 HydrophobicContact CB-CD2 4.25Å; K136-K325 WeakPolarHBondContact CD-O 3.42Å; K136-K325 WeakPolarHBondContact CE-O 3.27Å; K136-K325 PolarHBondContact NZ-O 2.81Å
137A98.7Very high97.6Very high0 Ų015.7 Ų15.70%07%0.072CC..Hα-helixtrans-62.8-43.8173.800000111.9N85 I86 Q133 L134 Y140 L141N85-A137 HydrophobicContact CB-CB 4.1Å; I86-A137 HydrophobicContact CG1-CB 4.35Å; Q133-A137 PolarHBondContact O-N 3.41Å; L134-A137 PolarHBondContact O-N 2.89Å; A137-Y140 PolarHBondContact O-N 3.03Å; A137-L141 WeakPolarHBondContact O-CG 3.26Å; A137-L141 PolarHBondContact O-N 3.4Å
138N98.7Very high97.5Very high0 Ų014.2 Ų14.20%07%0.066CC..Hα-helixtrans-66.9-40178.8-88.9-104.8000112.3L134 F135 Y140 L141 H142 E151 D213 M214 L217 A308L134-N138 WeakPolarHBondContact O-CB 3.31Å; L134-N138 PolarHBondContact O-N 2.92Å; L134-N138 PolarHBondContact O-ND2 3.5Å; L134-N138 VanDerWaalsContact O-ND2 3.15Å; F135-N138 PolarHBondContact O-N 3.08Å; N138-Y140 VanDerWaalsContact C-N 3.29Å; N138-Y140 PolarHBondContact O-N 3.41Å; N138-L141 PolarHBondContact O-N 2.87Å; N138-H142 WeakPolarHBondContact O-CB 3.2Å; N138-H142 PolarHBondContact O-N 2.74Å; N138-H142 PolarHBondContact O-ND1 3.44Å; N138-H142 PolarHBondContact OD1-CE1 3.27Å; N138-H142 PolarHBondContact OD1-NE2 3.36Å; N138-E151 PolarHBondContact ND2-OE1 3.33Å; N138-D213 WeakPolarHBondContact OD1-CB 3.38Å; N138-M214 HydrophobicContact CB-SD 4.46Å; N138-L217 HydrophobicContact CB-CD1 4.28Å; N138-A308 HydrophobicContact CB-CB 3.76Å
139K98.5Very high97.2Very high28 Ų2813.3 Ų13.312%0.1226%0.062CC..Hα-helixtrans-53.9-47.9173.5172.9173.8168.1167.70110.8F135 S143 A308 E309 L312 E326F135-K139 WeakPolarHBondContact O-CB 3.43Å; F135-K139 PolarHBondContact O-N 2.77Å; K139-S143 VanDerWaalsContact O-CB 3.22Å; K139-S143 WeakPolarHBondContact O-CB 3.28Å; K139-S143 PolarHBondContact O-N 2.81Å; K139-S143 PolarHBondContact O-OG 3.07Å; K139-A308 HydrophobicContact CB-CB 4.11Å; K139-E309 HydrophobicContact CD-CB 4.42Å; K139-E309 WeakPolarHBondContact CE-OE1 3.4Å; K139-E309 IonicContact NZ-OE1 3.75Å; K139-E309 PolarHBondContact NZ-OE1 2.8Å; K139-L312 HydrophobicContact CB-CD1 3.96Å; K139-L312 HydrophobicContact CD-CD1 3.59Å; K139-L312 HydrophobicContact CG-CD1 4.39Å; K139-E326 HydrophobicContact CD-CB 4.41Å; K139-E326 VanDerWaalsContact CE-O 3.27Å; K139-E326 WeakPolarHBondContact CE-O 3.41Å; K139-E326 PolarHBondContact NZ-O 3.18Å
140Y98.4Very high96.9Very high30 Ų3010.7 Ų10.712%0.1185%0.053CC..Hα-helixtrans-61-49.3177.5-175-100.8000112.1F80 H83 I86 K136 A137 N138 S143 G144 P327 L329F80-Y140 HydrophobicContact CB-CE1 4Å; F80-Y140 AromaticContact CD1-CE1 3.97Å; F80-Y140 HydrophobicContact CD1-CE1 3.97Å; F80-Y140 HydrophobicContact CG-CE1 4.31Å; H83-Y140 HydrophobicContact CB-CD1 4.04Å; H83-Y140 HydrophobicContact CB-CE1 3.87Å; H83-Y140 HydrophobicContact CB-CG 4.48Å; H83-Y140 AromaticContact CD2-CD2 3.93Å; H83-Y140 AromaticContact CD2-CG 3.79Å; H83-Y140 AromaticContact CG-CD1 3.91Å; H83-Y140 AromaticContact CG-CG 3.99Å; I86-Y140 HydrophobicContact CD1-CD1 3.76Å; I86-Y140 HydrophobicContact CD1-CE1 4.23Å; K136-Y140 PolarHBondContact O-N 3.28Å; A137-Y140 PolarHBondContact O-N 3.03Å; N138-Y140 VanDerWaalsContact C-N 3.29Å; N138-Y140 PolarHBondContact O-N 3.41Å; Y140-S143 PolarHBondContact O-OG 2.69Å; Y140-G144 PolarHBondContact O-N 3.26Å; Y140-P327 HydrophobicContact CD2-CB 4.36Å; Y140-P327 HydrophobicContact CD2-CG 4.24Å; Y140-L329 HydrophobicContact CD2-CG 4.13Å; Y140-L329 HydrophobicContact CE1-CD1 4.28Å; Y140-L329 HydrophobicContact CE1-CD2 4.38Å; Y140-L329 HydrophobicContact CE1-CG 4.29Å; Y140-L329 HydrophobicContact CE2-CD2 3.69Å; Y140-L329 HydrophobicContact CE2-CG 3.76Å; Y140-L329 WeakPolarHBondContact OH-CD2 3.48Å
141L97.8Very high96.8Very high0 Ų010.8 Ų10.80%05%0.053CC..Hα-helixtrans-62.7-50178.2-65.9172.9000113.1F80 I86 A137 N138 S143 G144 N145 V146 L166 F169F80-L141 HydrophobicContact CD1-CD2 4.01Å; F80-L141 HydrophobicContact CD2-CD2 3.79Å; F80-L141 HydrophobicContact CE1-CD2 3.61Å; F80-L141 HydrophobicContact CE2-CD2 3.36Å; F80-L141 HydrophobicContact CG-CD2 4.11Å; F80-L141 HydrophobicContact CZ-CD2 3.28Å; I86-L141 HydrophobicContact CD1-CD2 3.81Å; I86-L141 HydrophobicContact CD1-CG 4.07Å; A137-L141 WeakPolarHBondContact O-CG 3.26Å; A137-L141 PolarHBondContact O-N 3.4Å; N138-L141 PolarHBondContact O-N 2.87Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 3.04Å; L141-G144 CarbonylContact O-C 3.54Å; L141-G144 PolarHBondContact O-N 3.02Å; L141-G144 VanDerWaalsContact O-N 3.08Å; L141-N145 PolarHBondContact O-N 3.44Å; L141-V146 CarbonylContact C-O 3.56Å; L141-V146 PolarHBondContact O-N 3.05Å; L141-L166 HydrophobicContact CD1-CD2 3.88Å; L141-F169 HydrophobicContact CD1-CE1 3.88Å; L141-F169 HydrophobicContact CD1-CZ 4.41Å; L141-F169 HydrophobicContact CD2-CE1 3.76Å; L141-F169 HydrophobicContact CD2-CZ 4.44Å; L141-F169 HydrophobicContact CG-CE1 4.5Å
142H97.8Very high96.7Very high16 Ų1610.8 Ų10.87%0.0745%0.053CC..Hα-helixtrans-66.2-31.6-177.2-66.2168.5000112.4N138 G144 N145 V146 N210 D213N138-H142 WeakPolarHBondContact O-CB 3.2Å; N138-H142 PolarHBondContact O-N 2.74Å; N138-H142 PolarHBondContact O-ND1 3.44Å; N138-H142 PolarHBondContact OD1-CE1 3.27Å; N138-H142 PolarHBondContact OD1-NE2 3.36Å; H142-G144 VanDerWaalsContact C-N 3.29Å; H142-G144 PolarHBondContact O-N 3.17Å; H142-N145 PolarHBondContact O-N 3.03Å; H142-N145 VanDerWaalsContact O-N 3.07Å; H142-V146 PolarHBondContact CD2-O 3.39Å; H142-N210 HydrophobicContact CB-CB 4.16Å; H142-N210 PolarHBondContact CD2-OD1 2.9Å; H142-N210 VanDerWaalsContact CD2-OD1 3.23Å; H142-N210 PolarHBondContact CE1-O 2.61Å; H142-N210 VanDerWaalsContact CG-CG 3.43Å; H142-D213 IonicContact CD2-OD2 3.59Å; H142-D213 IonicContact NE2-OD2 3.81Å; H142-D213 PolarHBondContact NE2-OD2 2.77Å; H142-D213 VanDerWaalsContact NE2-OD2 3.09Å
143S96.9Very high96.6Very high38 Ų3810 Ų1027%0.2665%0.05SC..Hα-helixtrans-70.4-20.7173.163.70000114.4K139 Y140 L141 N145 A328 L329K139-S143 VanDerWaalsContact O-CB 3.22Å; K139-S143 WeakPolarHBondContact O-CB 3.28Å; K139-S143 PolarHBondContact O-N 2.81Å; K139-S143 PolarHBondContact O-OG 3.07Å; Y140-S143 PolarHBondContact O-OG 2.69Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 3.04Å; S143-N145 VanDerWaalsContact C-N 3.34Å; S143-A328 WeakPolarHBondContact OG-CA 3.13Å; S143-L329 PolarHBondContact OG-N 3.15Å
144G95.5Very high96.3Very high0 Ų010.8 Ų10.80%06%0.056CC..THydrogen-bonded Turntrans-9616.1167.200000113.3Y140 L141 H142 V146 Y331 V333Y140-G144 PolarHBondContact O-N 3.26Å; L141-G144 CarbonylContact O-C 3.54Å; L141-G144 PolarHBondContact O-N 3.02Å; L141-G144 VanDerWaalsContact O-N 3.08Å; H142-G144 VanDerWaalsContact C-N 3.29Å; H142-G144 PolarHBondContact O-N 3.17Å; G144-V146 PolarHBondContact O-N 3.04Å; G144-Y331 WeakPolarHBondContact CA-O 3.4Å; G144-V333 PolarHBondContact O-N 2.88Å
145N94.3Very high96.2Very high46 Ų4610.9 Ų10.925%0.2466%0.057CC..THydrogen-bonded Turntrans55.229.6-176.1-84.4-55.6000115L141 H142 S143 S174 L175 D332L141-N145 PolarHBondContact O-N 3.44Å; H142-N145 PolarHBondContact O-N 3.03Å; H142-N145 VanDerWaalsContact O-N 3.07Å; S143-N145 VanDerWaalsContact C-N 3.34Å; N145-S174 CarbonylContact O-C 3.56Å; N145-S174 WeakPolarHBondContact O-CA 3.4Å; N145-L175 HydrophobicContact CB-CB 4.29Å; N145-L175 PolarHBondContact O-N 3.11Å; N145-D332 PolarHBondContact ND2-OD1 2.9Å
146V94.2Very high96.2Very high0 Ų010.9 Ų10.90%06%0.057CC..EExtended strand (participates in β ladder)trans-101130174.4-1720000111.9F76 F80 L141 H142 G144 A172 R173 V333F76-V146 HydrophobicContact CD1-CG1 4.2Å; F76-V146 HydrophobicContact CD1-CG2 4.39Å; F76-V146 HydrophobicContact CE1-CB 4.41Å; F76-V146 HydrophobicContact CE1-CG1 3.67Å; F76-V146 HydrophobicContact CE1-CG2 3.78Å; F76-V146 HydrophobicContact CZ-CG1 3.88Å; F80-V146 HydrophobicContact CE1-CG2 4.21Å; F80-V146 HydrophobicContact CZ-CB 4.23Å; F80-V146 HydrophobicContact CZ-CG1 4.06Å; F80-V146 HydrophobicContact CZ-CG2 4.06Å; L141-V146 CarbonylContact C-O 3.56Å; L141-V146 PolarHBondContact O-N 3.05Å; H142-V146 PolarHBondContact CD2-O 3.39Å; G144-V146 PolarHBondContact O-N 3.04Å; V146-A172 HydrophobicContact CG1-CB 4.2Å; V146-R173 CarbonylContact C-O 3.57Å; V146-R173 VanDerWaalsContact CA-O 3.31Å; V146-R173 WeakPolarHBondContact CA-O 3.19Å; V146-R173 WeakPolarHBondContact CG1-O 3.3Å; V146-V333 HydrophobicContact CG2-CB 3.57Å; V146-V333 HydrophobicContact CG2-CG1 3.89Å; V146-V333 HydrophobicContact CG2-CG2 4.15Å
147I94.1Very high96.1Very high0 Ų010.1 Ų10.10%05%0.054CC..EExtended strand (participates in β ladder)trans-106.9143168.458.4171.3000112R149 A172 R173 L175 I178 N210 D213I147-R149 HydrophobicContact CB-CG 4.28Å; I147-R149 HydrophobicContact CD1-CG 3.74Å; I147-R149 HydrophobicContact CG1-CG 3.81Å; I147-A172 CarbonylContact O-C 3.54Å; I147-A172 WeakPolarHBondContact O-CA 3.35Å; I147-A172 VanDerWaalsContact O-CB 3.31Å; I147-A172 WeakPolarHBondContact O-CB 3.29Å; I147-R173 HydrophobicContact CG1-CB 4.06Å; I147-R173 PolarHBondContact N-O 3.3Å; I147-R173 PolarHBondContact O-N 2.86Å; I147-L175 HydrophobicContact CD1-CD2 3.76Å; I147-L175 HydrophobicContact CG1-CD2 4.07Å; I147-L175 HydrophobicContact CG2-CD1 4.26Å; I147-L175 HydrophobicContact CG2-CD2 3.95Å; I147-L175 HydrophobicContact CG2-CG 4.13Å; I147-I178 HydrophobicContact CD1-CD1 3.82Å; I147-I178 HydrophobicContact CG1-CD1 4.26Å; I147-N210 VanDerWaalsContact CG2-OD1 3.31Å; I147-N210 WeakPolarHBondContact CG2-OD1 3.29Å; I147-D213 WeakPolarHBondContact CA-OD2 3.36Å; I147-D213 WeakPolarHBondContact CB-OD2 3.21Å
148H94.6Very high96Very high0 Ų010.4 Ų10.40%06%0.055CC..  trans-87.8-39.4-173.3-172.9-87.1000113.6D150 E151 C167 D168 F169 D213H148-D150 PolarHBondContact O-N 2.72Å; H148-E151 HydrophobicContact CB-CG 3.9Å; H148-E151 WeakPolarHBondContact ND1-CG 3.31Å; H148-E151 PolarHBondContact ND1-N 3.2Å; H148-C167 PolarHBondContact NE2-O 2.87Å; H148-D168 PolarHBondContact NE2-O 3.18Å; H148-F169 AromaticContact CD2-CD1 3.54Å; H148-F169 AromaticContact CD2-CE1 3.54Å; H148-D213 PolarHBondContact N-OD1 3.41Å; H148-D213 VanDerWaalsContact N-OD1 3.16Å; H148-D213 PolarHBondContact N-OD2 2.88Å
149R92.1Very high95.7Very high17 Ų1712.2 Ų12.26%0.0647%0.065CC..SBendtrans64.7-17.5174.1-48.5-166.7-59.6145.88.7118.3I147 L171 E189 V212 D213I147-R149 HydrophobicContact CB-CG 4.28Å; I147-R149 HydrophobicContact CD1-CG 3.74Å; I147-R149 HydrophobicContact CG1-CG 3.81Å; R149-L171 VanDerWaalsContact CZ-O 3.32Å; R149-L171 PolarHBondContact NE-O 2.86Å; R149-L171 PolarHBondContact NH2-O 2.87Å; R149-E189 IonicContact CZ-OE1 3.04Å; R149-E189 IonicContact CZ-OE2 2.72Å; R149-E189 IonicContact NH1-OE1 2.65Å; R149-E189 IonicContact NH1-OE2 3.89Å; R149-E189 PolarHBondContact NH1-OE2 3.22Å; R149-E189 IonicContact NH2-OE2 3.91Å; R149-V212 HydrophobicContact CG-CG1 4.4Å; R149-D213 PolarHBondContact N-OD1 3.29Å
150D92Very high95.3Very high8 Ų814.6 Ų14.64%0.0438%0.082CC..  trans-123.139.3174.7-163.830.1000111.8H148 K152 N155 L171H148-D150 PolarHBondContact O-N 2.72Å; D150-K152 VanDerWaalsContact OD1-CE 3.31Å; D150-K152 WeakPolarHBondContact OD1-CE 3.39Å; D150-K152 IonicContact OD1-NZ 2.81Å; D150-K152 PolarHBondContact OD1-NZ 3.5Å; D150-K152 WeakPolarHBondContact OD2-CE 3.38Å; D150-K152 IonicContact OD2-NZ 3.72Å; D150-K152 PolarHBondContact OD2-NZ 3.44Å; D150-N155 PolarHBondContact O-ND2 3.44Å; D150-L171 HydrophobicContact CB-CB 4.22Å; D150-L171 HydrophobicContact CB-CD1 3.81Å
151E96.2Very high95Very high2 Ų219 Ų191%0.00911%0.107CC..  trans-70.4132.2170.7-72.4-149.1-17500111.8N138 H148 L166 Y196 L217 I220N138-E151 PolarHBondContact ND2-OE1 3.33Å; H148-E151 HydrophobicContact CB-CG 3.9Å; H148-E151 WeakPolarHBondContact ND1-CG 3.31Å; H148-E151 PolarHBondContact ND1-N 3.2Å; E151-L166 HydrophobicContact CG-CD1 4.09Å; E151-L166 VanDerWaalsContact OE1-CD2 3.23Å; E151-L166 WeakPolarHBondContact OE1-CD2 3.07Å; E151-Y196 WeakPolarHBondContact O-CB 3.49Å; E151-L217 WeakPolarHBondContact OE2-CD2 3.2Å; E151-I220 HydrophobicContact CB-CD1 4.27Å
152K96.1Very high94.8Very high0 Ų020.2 Ų20.20%012%0.115CC..  trans-171.2159.5-176.256.7-164.8162.3-170.40109.9D150 S154 N155 V156 Y196 Y588 T589D150-K152 VanDerWaalsContact OD1-CE 3.31Å; D150-K152 WeakPolarHBondContact OD1-CE 3.39Å; D150-K152 IonicContact OD1-NZ 2.81Å; D150-K152 PolarHBondContact OD1-NZ 3.5Å; D150-K152 WeakPolarHBondContact OD2-CE 3.38Å; D150-K152 IonicContact OD2-NZ 3.72Å; D150-K152 PolarHBondContact OD2-NZ 3.44Å; K152-S154 PolarHBondContact O-N 3.15Å; K152-N155 WeakPolarHBondContact CE-ND2 3.34Å; K152-N155 VanDerWaalsContact CE-OD1 3.23Å; K152-N155 WeakPolarHBondContact CE-OD1 3.28Å; K152-N155 HydrophobicContact CG-CB 4.03Å; K152-N155 PolarHBondContact O-N 2.94Å; K152-V156 PolarHBondContact O-N 3.47Å; K152-Y196 HydrophobicContact CB-CD1 4.29Å; K152-Y196 HydrophobicContact CB-CD2 3.42Å; K152-Y196 VanDerWaalsContact CB-CD2 3.42Å; K152-Y196 HydrophobicContact CB-CE1 4.35Å; K152-Y196 HydrophobicContact CB-CE2 3.47Å; K152-Y196 VanDerWaalsContact CB-CE2 3.47Å; K152-Y196 HydrophobicContact CB-CG 3.86Å; K152-Y588 PolarHBondContact NZ-O 2.8Å; K152-T589 VanDerWaalsContact CE-OG1 3.3Å; K152-T589 WeakPolarHBondContact CE-OG1 3.49Å
153P97.3Very high94.8Very high0 Ų021.8 Ų21.80%012%0.124CC..THydrogen-bonded Turntrans-59.5-21.6-177.7-26.537.1000115.6L112 H113 I116 N155 Y196 I220 E223L112-P153 CarbonylContact C-O 3.53Å; L112-P153 WeakPolarHBondContact CA-O 3.49Å; L112-P153 HydrophobicContact CB-CB 4.08Å; L112-P153 WeakPolarHBondContact CB-O 3.36Å; L112-P153 HydrophobicContact CD2-CB 4.19Å; L112-P153 HydrophobicContact CG-CB 4.06Å; L112-P153 PolarHBondContact N-O 3.45Å; L112-P153 VanDerWaalsContact N-O 3.08Å; H113-P153 HydrophobicContact CB-CB 3.84Å; H113-P153 PolarHBondContact N-O 3.27Å; I116-P153 HydrophobicContact CD1-CB 4.27Å; I116-P153 HydrophobicContact CD1-CG 4.31Å; P153-N155 VanDerWaalsContact C-N 3.32Å; P153-Y196 VanDerWaalsContact CD-CZ 3.49Å; P153-Y196 HydrophobicContact CG-CE1 4.11Å; P153-I220 HydrophobicContact CG-CG1 4.07Å; P153-E223 HydrophobicContact CG-CG 4.5Å
154S93.8Very high94.9Very high22 Ų2220 Ų2015%0.15411%0.111CC..THydrogen-bonded Turntrans-80-10.2173.8600000114.5K152 T589K152-S154 PolarHBondContact O-N 3.15Å; S154-T589 PolarHBondContact OG-OG1 3.37Å
155N95.9Very high95Very high2 Ų221 Ų211%0.01112%0.116CC..THydrogen-bonded Turntrans-106.2-3.1175.7-74.514.2000112.4D150 K152 P153 C167 T589D150-N155 PolarHBondContact O-ND2 3.44Å; K152-N155 WeakPolarHBondContact CE-ND2 3.34Å; K152-N155 VanDerWaalsContact CE-OD1 3.23Å; K152-N155 WeakPolarHBondContact CE-OD1 3.28Å; K152-N155 HydrophobicContact CG-CB 4.03Å; K152-N155 PolarHBondContact O-N 2.94Å; P153-N155 VanDerWaalsContact C-N 3.32Å; N155-C167 WeakPolarHBondContact CB-O 3.46Å; N155-C167 PolarHBondContact O-N 3.46Å; N155-C167 PolarHBondContact O-SG 2.81Å; N155-T589 VanDerWaalsContact OD1-CB 3.3Å; N155-T589 WeakPolarHBondContact OD1-CB 3.45Å; N155-T589 VanDerWaalsContact OD1-CG2 3.26Å; N155-T589 WeakPolarHBondContact OD1-CG2 3.34Å; N155-T589 PolarHBondContact OD1-OG1 2.96Å
156V98Very high95.2Very high0 Ų018.8 Ų18.80%010%0.104CC..EExtended strand (participates in β ladder)trans-100106174.5177.90000108.1D111 L112 L134 K152 V164 L166 I220D111-V156 CarbonylContact C-O 3.56Å; D111-V156 WeakPolarHBondContact CA-O 3.36Å; L112-V156 HydrophobicContact CB-CB 3.95Å; L112-V156 HydrophobicContact CB-CG1 4Å; L112-V156 HydrophobicContact CD2-CB 4.2Å; L112-V156 HydrophobicContact CD2-CG1 3.99Å; L112-V156 PolarHBondContact N-O 2.56Å; L134-V156 HydrophobicContact CD1-CG1 4.37Å; L134-V156 HydrophobicContact CD1-CG2 4.37Å; L134-V156 HydrophobicContact CD2-CG1 4.02Å; L134-V156 HydrophobicContact CD2-CG2 3.8Å; K152-V156 PolarHBondContact O-N 3.47Å; V156-V164 HydrophobicContact CG1-CG1 3.83Å; V156-V164 HydrophobicContact CG1-CG2 4.36Å; V156-L166 HydrophobicContact CG2-CD1 4.43Å; V156-I220 HydrophobicContact CG2-CD1 4.36Å
157L97.4Very high95.2Very high4 Ų419.7 Ų19.72%0.02111%0.11CC..EExtended strand (participates in β ladder)trans-92.4151.2-175.6-50.9-179.2000111.8I87 M108 T110 D111 V164 K165 C167 Y592I87-L157 HydrophobicContact CD1-CD1 4.03Å; I87-L157 HydrophobicContact CG1-CD1 4.44Å; M108-L157 HydrophobicContact CB-CB 3.92Å; M108-L157 HydrophobicContact CG-CB 3.74Å; M108-L157 HydrophobicContact CG-CD1 4.1Å; T110-L157 WeakPolarHBondContact O-CA 3.34Å; D111-L157 HydrophobicContact CB-CD2 4.01Å; L157-V164 CarbonylContact O-C 3.45Å; L157-V164 WeakPolarHBondContact O-CA 3.12Å; L157-K165 HydrophobicContact CB-CB 4.27Å; L157-K165 WeakPolarHBondContact CB-O 3.31Å; L157-K165 PolarHBondContact N-O 2.9Å; L157-K165 PolarHBondContact O-N 3.34Å; L157-C167 HydrophobicContact CD1-CB 4.01Å; L157-C167 HydrophobicContact CG-CB 4.4Å; L157-Y592 HydrophobicContact CD1-CD2 4.14Å; L157-Y592 HydrophobicContact CD1-CE2 3.46Å; L157-Y592 VanDerWaalsContact CD1-CE2 3.46Å; L157-Y592 HydrophobicContact CD2-CD2 3.34Å; L157-Y592 HydrophobicContact CD2-CE2 3.61Å; L157-Y592 HydrophobicContact CD2-CG 4.13Å; L157-Y592 HydrophobicContact CG-CD2 4.33Å; L157-Y592 HydrophobicContact CG-CE2 4.13Å
158L95.8Very high95.1Very high6 Ų620.4 Ų20.43%0.03111%0.114CC..EExtended strand (participates in β ladder)trans-138.1142.2-174.3-70170.7000112D109 T110 L112 V115 V130 I163 V164D109-L158 PolarHBondContact N-O 3.23Å; T110-L158 HydrophobicContact CG2-CB 4.06Å; T110-L158 PolarHBondContact N-O 2.99Å; T110-L158 PolarHBondContact O-N 3Å; L112-L158 HydrophobicContact CB-CD1 4.16Å; L112-L158 HydrophobicContact CD1-CD1 3.92Å; V115-L158 HydrophobicContact CB-CD1 4.37Å; V115-L158 HydrophobicContact CG2-CD1 3.9Å; V130-L158 HydrophobicContact CG2-CD2 4.18Å; L158-I163 WeakPolarHBondContact CA-O 3.46Å; L158-V164 HydrophobicContact CD2-CG2 3.67Å
159D93.4Very high95Very high38 Ų3820.4 Ų20.420%0.20311%0.114CC..  trans-103.7-172.1169.668.79.8000111.8M108 D161 C162 I163M108-D159 HydrophobicContact CE-CB 3.86Å; D159-D161 VanDerWaalsContact C-N 3.29Å; D159-D161 PolarHBondContact O-N 2.86Å; D159-D161 WeakPolarHBondContact OD1-CA 3.43Å; D159-D161 PolarHBondContact OD1-N 2.67Å; D159-C162 PolarHBondContact O-N 3.16Å; D159-C162 PolarHBondContact OD1-N 3.45Å; D159-I163 PolarHBondContact N-O 3.49Å; D159-I163 PolarHBondContact OD1-N 2.92Å; D159-I163 WeakPolarHBondContact OD2-CB 3.44Å; D159-I163 WeakPolarHBondContact OD2-CG1 3.19Å
160T90.4Very high94.8Very high77 Ų7719.6 Ų19.647%0.47211%0.111SC..THydrogen-bonded Turntrans-67.7-24.1177.547.20000114.7L603T160-L603 HydrophobicContact CG2-CD1 4.27Å; T160-L603 HydrophobicContact CG2-CG 4.44Å
161D91.4Very high94.6Very high123 Ų12320.5 Ų20.566%0.65812%0.115SC*.THydrogen-bonded Turntrans-955.7-178.8-69.4-61000112.6D159 I163D159-D161 VanDerWaalsContact C-N 3.29Å; D159-D161 PolarHBondContact O-N 2.86Å; D159-D161 WeakPolarHBondContact OD1-CA 3.43Å; D159-D161 PolarHBondContact OD1-N 2.67Å; D161-I163 VanDerWaalsContact C-N 3.29Å; D161-I163 HydrophobicContact CB-CG1 4.33Å
162C94.4Very high94.3Very high25 Ų2520.4 Ų20.417%0.16912%0.115CC..  trans65.528.5-178.4-157.90000113.3Y129 Q133 D159Y129-C162 HydrophobicContact CD1-CB 4.27Å; Y129-C162 WeakPolarHBondContact CE1-O 3.5Å; Q133-C162 PolarHBondContact NE2-O 3.22Å; D159-C162 PolarHBondContact O-N 3.16Å; D159-C162 PolarHBondContact OD1-N 3.45Å
163I97.1Very high93.9Very high49 Ų4922.1 Ų22.125%0.25112%0.122SC..  trans-72.9129.5168.1-51.4-57.2000109M108 Y129 L158 D159 D161M108-I163 WeakPolarHBondContact CE-O 3.37Å; Y129-I163 HydrophobicContact CE1-CD1 4.36Å; Y129-I163 WeakPolarHBondContact OH-CD1 3.38Å; L158-I163 WeakPolarHBondContact CA-O 3.46Å; D159-I163 PolarHBondContact N-O 3.49Å; D159-I163 PolarHBondContact OD1-N 2.92Å; D159-I163 WeakPolarHBondContact OD2-CB 3.44Å; D159-I163 WeakPolarHBondContact OD2-CG1 3.19Å; D161-I163 VanDerWaalsContact C-N 3.29Å; D161-I163 HydrophobicContact CB-CG1 4.33Å
164V98Very high93.4Very high0 Ų022.1 Ų22.10%012%0.122CC..EExtended strand (participates in β ladder)trans-89.9137177.9165.50000110.7N85 V130 Q133 L134 V156 L157 L158N85-V164 VanDerWaalsContact CA-O 3.24Å; N85-V164 WeakPolarHBondContact CA-O 3.18Å; N85-V164 PolarHBondContact ND2-O 3.23Å; V130-V164 HydrophobicContact CB-CG2 4.19Å; V130-V164 HydrophobicContact CG1-CG2 4.03Å; V130-V164 HydrophobicContact CG2-CG2 3.98Å; Q133-V164 HydrophobicContact CB-CB 3.76Å; Q133-V164 HydrophobicContact CB-CG1 4.39Å; Q133-V164 HydrophobicContact CB-CG2 4.11Å; L134-V164 HydrophobicContact CD2-CG1 3.8Å; L134-V164 HydrophobicContact CG-CG1 4.16Å; V156-V164 HydrophobicContact CG1-CG1 3.83Å; V156-V164 HydrophobicContact CG1-CG2 4.36Å; L157-V164 CarbonylContact O-C 3.45Å; L157-V164 WeakPolarHBondContact O-CA 3.12Å; L158-V164 HydrophobicContact CD2-CG2 3.67Å
165K98.3Very high93Very high22 Ų2221.8 Ų21.810%0.09612%0.118CC..EExtended strand (participates in β ladder)trans-128.3117.8165.6-65-75.5-173.7151.10110.7P84 I86 I87 E106 M108 L157P84-K165 WeakPolarHBondContact O-CD 3.27Å; P84-K165 WeakPolarHBondContact O-CE 3.46Å; P84-K165 PolarHBondContact O-NZ 2.99Å; I86-K165 VanDerWaalsContact O-CD 3.24Å; I86-K165 WeakPolarHBondContact O-CD 3.15Å; I86-K165 PolarHBondContact O-NZ 3.07Å; I87-K165 HydrophobicContact CB-CB 4.33Å; I87-K165 HydrophobicContact CD1-CB 3.93Å; I87-K165 HydrophobicContact CD1-CG 4.2Å; E106-K165 WeakPolarHBondContact OE1-CD 3.3Å; E106-K165 VanDerWaalsContact OE1-CE 3.22Å; E106-K165 WeakPolarHBondContact OE1-CE 3.37Å; E106-K165 IonicContact OE1-NZ 3.18Å; E106-K165 PolarHBondContact OE1-NZ 2.8Å; E106-K165 WeakPolarHBondContact OE2-CE 3.43Å; E106-K165 IonicContact OE2-NZ 3.67Å; E106-K165 PolarHBondContact OE2-NZ 3.37Å; M108-K165 HydrophobicContact CE-CB 4.06Å; M108-K165 HydrophobicContact CE-CG 3.5Å; M108-K165 HydrophobicContact CG-CB 4.33Å; M108-K165 HydrophobicContact CG-CG 4.28Å; M108-K165 HydrophobicContact SD-CB 4.22Å; M108-K165 HydrophobicContact SD-CG 3.55Å; M108-K165 VanDerWaalsContact SD-CG 3.55Å; L157-K165 HydrophobicContact CB-CB 4.27Å; L157-K165 WeakPolarHBondContact CB-O 3.31Å; L157-K165 PolarHBondContact N-O 2.9Å; L157-K165 PolarHBondContact O-N 3.34Å
166L98.2Very high91.9Very high0 Ų024.5 Ų24.50%013%0.132CC..EExtended strand (participates in β ladder)trans-75.6142.5172.9-176.863.9000111.3N85 I87 L141 E151 V156 F169N85-L166 PolarHBondContact O-N 3.27Å; I87-L166 WeakPolarHBondContact CB-O 3.49Å; I87-L166 WeakPolarHBondContact CG2-O 3.34Å; I87-L166 PolarHBondContact N-O 2.93Å; L141-L166 HydrophobicContact CD1-CD2 3.88Å; E151-L166 HydrophobicContact CG-CD1 4.09Å; E151-L166 VanDerWaalsContact OE1-CD2 3.23Å; E151-L166 WeakPolarHBondContact OE1-CD2 3.07Å; V156-L166 HydrophobicContact CG2-CD1 4.43Å; L166-F169 HydrophobicContact CD2-CZ 4.18Å; L166-F169 HydrophobicContact CG-CZ 4.25Å
167C95.4Very high90.3Very high19 Ų1925 Ų2513%0.12814%0.135CC..  trans-148.8169.4-176.9730000114.6I87 H148 N155 L157I87-C167 HydrophobicContact CB-CB 4.12Å; I87-C167 HydrophobicContact CG2-CB 3.58Å; H148-C167 PolarHBondContact NE2-O 2.87Å; N155-C167 WeakPolarHBondContact CB-O 3.46Å; N155-C167 PolarHBondContact O-N 3.46Å; N155-C167 PolarHBondContact O-SG 2.81Å; L157-C167 HydrophobicContact CD1-CB 4.01Å; L157-C167 HydrophobicContact CG-CB 4.4Å
168D91.1Very high88.6Confident15 Ų1525.6 Ų25.68%0.0814%0.138CC..  trans67.657.1-174.7-166.213.1000115.5R69 H148 G170 T589R69-D168 IonicContact CZ-OD1 3.93Å; R69-D168 IonicContact NE-OD1 3.77Å; R69-D168 IonicContact NH2-OD1 2.77Å; R69-D168 PolarHBondContact NH2-OD1 2.95Å; R69-D168 IonicContact NH2-OD2 2.68Å; R69-D168 PolarHBondContact NH2-OD2 3Å; H148-D168 PolarHBondContact NE2-O 3.18Å; D168-G170 PolarHBondContact O-N 3.41Å; D168-G170 PolarHBondContact OD1-N 3.32Å; D168-T589 HydrophobicContact CB-CG2 4.45Å; D168-T589 WeakPolarHBondContact OD2-CG2 3.47Å
169F92.9Very high86.7Confident0 Ų032.7 Ų32.70%017%0.171CC..G310 helixtrans-64.710.1168.3-63.5-91.5000114.2F76 L77 F80 I86 L141 H148 L166 L171 A172F76-F169 HydrophobicContact CB-CB 4.04Å; F76-F169 HydrophobicContact CB-CG 4.4Å; F76-F169 HydrophobicContact CD2-CB 4.37Å; L77-F169 HydrophobicContact CD1-CD2 4.32Å; L77-F169 HydrophobicContact CD2-CD2 3.51Å; L77-F169 HydrophobicContact CD2-CE2 3.69Å; L77-F169 HydrophobicContact CG-CD2 3.82Å; L77-F169 HydrophobicContact CG-CE2 4.48Å; L77-F169 HydrophobicContact CG-CG 4.5Å; F80-F169 HydrophobicContact CD2-CD1 4.25Å; F80-F169 AromaticContact CD2-CE1 3.9Å; F80-F169 HydrophobicContact CD2-CE1 3.9Å; F80-F169 HydrophobicContact CD2-CZ 4.12Å; F80-F169 AromaticContact CE2-CD1 3.56Å; F80-F169 HydrophobicContact CE2-CD1 3.56Å; F80-F169 AromaticContact CE2-CE1 3.47Å; F80-F169 HydrophobicContact CE2-CE1 3.47Å; F80-F169 VanDerWaalsContact CE2-CE1 3.47Å; F80-F169 HydrophobicContact CE2-CG 4.29Å; F80-F169 HydrophobicContact CE2-CZ 4.16Å; F80-F169 HydrophobicContact CZ-CE1 4.48Å; I86-F169 HydrophobicContact CG1-CZ 4.27Å; I86-F169 HydrophobicContact CG2-CE2 3.78Å; I86-F169 HydrophobicContact CG2-CZ 3.73Å; L141-F169 HydrophobicContact CD1-CE1 3.88Å; L141-F169 HydrophobicContact CD1-CZ 4.41Å; L141-F169 HydrophobicContact CD2-CE1 3.76Å; L141-F169 HydrophobicContact CD2-CZ 4.44Å; L141-F169 HydrophobicContact CG-CE1 4.5Å; H148-F169 AromaticContact CD2-CD1 3.54Å; H148-F169 AromaticContact CD2-CE1 3.54Å; L166-F169 HydrophobicContact CD2-CZ 4.18Å; L166-F169 HydrophobicContact CG-CZ 4.25Å; F169-L171 PolarHBondContact O-N 2.92Å; F169-L171 VanDerWaalsContact O-N 3.13Å; F169-A172 HydrophobicContact CB-CB 4.17Å; F169-A172 HydrophobicContact CD1-CB 4.17Å; F169-A172 WeakPolarHBondContact O-CB 3.36Å; F169-A172 PolarHBondContact O-N 3.15Å; F169-A172 VanDerWaalsContact O-N 3.11Å
170G87.6Confident84.6Confident0 Ų038.4 Ų38.40%020%0.196CC..G310 helixtrans-63-16.9179.100000114.3R69 R72 D168R69-G170 WeakPolarHBondContact CG-O 3.35Å; R72-G170 PolarHBondContact NE-O 2.94Å; R72-G170 PolarHBondContact NH2-O 2.95Å; D168-G170 PolarHBondContact O-N 3.41Å; D168-G170 PolarHBondContact OD1-N 3.32Å
171L87.3Confident82.7Confident27 Ų2736.9 Ų36.914%0.14119%0.185CC..G310 helixtrans-110.60.7174.1-67.2177.2000114.4R149 D150 F169R149-L171 VanDerWaalsContact CZ-O 3.32Å; R149-L171 PolarHBondContact NE-O 2.86Å; R149-L171 PolarHBondContact NH2-O 2.87Å; D150-L171 HydrophobicContact CB-CB 4.22Å; D150-L171 HydrophobicContact CB-CD1 3.81Å; F169-L171 PolarHBondContact O-N 2.92Å; F169-L171 VanDerWaalsContact O-N 3.13Å
172A90.7Very high80.5Confident0 Ų037.1 Ų37.10%020%0.196CC..  trans-64.3163-179.800000113.1R72 F76 V146 I147 F169R72-A172 WeakPolarHBondContact CD-O 3.38Å; F76-A172 HydrophobicContact CD2-CB 3.8Å; F76-A172 HydrophobicContact CE2-CB 3.6Å; F76-A172 HydrophobicContact CZ-CB 4.31Å; V146-A172 HydrophobicContact CG1-CB 4.2Å; I147-A172 CarbonylContact O-C 3.54Å; I147-A172 WeakPolarHBondContact O-CA 3.35Å; I147-A172 VanDerWaalsContact O-CB 3.31Å; I147-A172 WeakPolarHBondContact O-CB 3.29Å; F169-A172 HydrophobicContact CB-CB 4.17Å; F169-A172 HydrophobicContact CD1-CB 4.17Å; F169-A172 WeakPolarHBondContact O-CB 3.36Å; F169-A172 PolarHBondContact O-N 3.15Å; F169-A172 VanDerWaalsContact O-N 3.11Å
173R87.9Confident78.2Confident36 Ų3637.8 Ų37.814%0.13621%0.207CC..EExtended strand (participates in β ladder)trans-149.8145.7-176.5-77.7-75.4175.1-86.722.8111.5V146 I147 I178 D339V146-R173 CarbonylContact C-O 3.57Å; V146-R173 VanDerWaalsContact CA-O 3.31Å; V146-R173 WeakPolarHBondContact CA-O 3.19Å; V146-R173 WeakPolarHBondContact CG1-O 3.3Å; I147-R173 HydrophobicContact CG1-CB 4.06Å; I147-R173 PolarHBondContact N-O 3.3Å; I147-R173 PolarHBondContact O-N 2.86Å; R173-I178 HydrophobicContact CB-CD1 3.4Å; R173-I178 HydrophobicContact CB-CG1 4Å; R173-I178 HydrophobicContact CG-CD1 3.82Å; R173-I178 HydrophobicContact CG-CG1 4.1Å; R173-D339 IonicContact CZ-OD2 3.38Å; R173-D339 IonicContact NE-OD2 3.87Å; R173-D339 IonicContact NH1-OD2 3.46Å; R173-D339 PolarHBondContact NH1-OD2 2.97Å; R173-D339 IonicContact NH2-OD2 2.69Å; R173-D339 PolarHBondContact NH2-OD2 2.59Å
174S87.2Confident75.8Confident0 Ų040.5 Ų40.50%022%0.223CC..EExtended strand (participates in β ladder)trans-78.9134.8159.3-170.60000110N145 N176 Q177 I178 V333N145-S174 CarbonylContact O-C 3.56Å; N145-S174 WeakPolarHBondContact O-CA 3.4Å; S174-N176 VanDerWaalsContact C-N 3.26Å; S174-N176 PolarHBondContact O-N 2.87Å; S174-Q177 PolarHBondContact O-N 3.15Å; S174-I178 PolarHBondContact O-N 2.87Å; S174-V333 VanDerWaalsContact CB-O 3.27Å; S174-V333 WeakPolarHBondContact CB-O 3.14Å; S174-V333 PolarHBondContact OG-O 3.41Å
175L83.6Confident73.4Confident15 Ų1541.5 Ų41.58%0.07923%0.229CC..Hα-helixtrans-68.7-23.6179.6-72.2178.9000113N145 I147 I178 Q179 N210N145-L175 HydrophobicContact CB-CB 4.29Å; N145-L175 PolarHBondContact O-N 3.11Å; I147-L175 HydrophobicContact CD1-CD2 3.76Å; I147-L175 HydrophobicContact CG1-CD2 4.07Å; I147-L175 HydrophobicContact CG2-CD1 4.26Å; I147-L175 HydrophobicContact CG2-CD2 3.95Å; I147-L175 HydrophobicContact CG2-CG 4.13Å; L175-I178 HydrophobicContact CD2-CD1 4.02Å; L175-Q179 WeakPolarHBondContact O-CG 3.46Å; L175-Q179 PolarHBondContact O-NE2 3.03Å; L175-N210 WeakPolarHBondContact CD1-OD1 3.49Å
176N74Confident70.7Confident58 Ų5841 Ų4131%0.3123%0.229SC..Hα-helixtrans-68.1-42.4175.8-66.7-6.2000110.6S174 Q179 D332S174-N176 VanDerWaalsContact C-N 3.26Å; S174-N176 PolarHBondContact O-N 2.87Å; N176-Q179 PolarHBondContact O-N 2.79Å; N176-D332 PolarHBondContact ND2-OD2 3.28Å
177Q64Low68Low12 Ų1247 Ų476%0.05626%0.261CS..Hα-helixtrans-67.2-40179-62.4176.4-43.900111.8S174 Q179 E180 D338S174-Q177 PolarHBondContact O-N 3.15Å; Q177-Q179 PolarHBondContact O-N 2.81Å; Q177-Q179 VanDerWaalsContact O-N 3.16Å; Q177-E180 PolarHBondContact O-N 3.29Å; Q177-D338 VanDerWaalsContact CD-OD1 3.23Å; Q177-D338 VanDerWaalsContact CG-OD1 3.29Å; Q177-D338 WeakPolarHBondContact CG-OD1 3.16Å; Q177-D338 PolarHBondContact NE2-OD1 3.34Å; Q177-D338 VanDerWaalsContact NE2-OD1 3.07Å; Q177-D338 PolarHBondContact NE2-OD2 3.16Å
178I62.3Low65.8Low15 Ų1551.2 Ų51.28%0.07729%0.286CS..Hα-helixtrans-59.6-28.2178-70.1160.8000112.9I147 R173 S174 L175 E180 D181 Y208I147-I178 HydrophobicContact CD1-CD1 3.82Å; I147-I178 HydrophobicContact CG1-CD1 4.26Å; R173-I178 HydrophobicContact CB-CD1 3.4Å; R173-I178 HydrophobicContact CB-CG1 4Å; R173-I178 HydrophobicContact CG-CD1 3.82Å; R173-I178 HydrophobicContact CG-CG1 4.1Å; S174-I178 PolarHBondContact O-N 2.87Å; L175-I178 HydrophobicContact CD2-CD1 4.02Å; I178-E180 VanDerWaalsContact C-N 3.34Å; I178-D181 PolarHBondContact O-N 3.21Å; I178-Y208 HydrophobicContact CD1-CD2 4.11Å; I178-Y208 HydrophobicContact CG1-CD2 4.47Å; I178-Y208 HydrophobicContact CG2-CD2 3.83Å; I178-Y208 HydrophobicContact CG2-CG 4.46Å
179Q56Low63.9Low155 Ų15551.1 Ų51.172%0.72429%0.285SS*.THydrogen-bonded Turntrans-79.8-14.7-174.4-74.4172.995.200113.9L175 N176 Q177L175-Q179 WeakPolarHBondContact O-CG 3.46Å; L175-Q179 PolarHBondContact O-NE2 3.03Å; N176-Q179 PolarHBondContact O-N 2.79Å; Q177-Q179 PolarHBondContact O-N 2.81Å; Q177-Q179 VanDerWaalsContact O-N 3.16Å
180E49.9Very low61.9Low159 Ų15958.5 Ų58.574%0.74331%0.314SS*.THydrogen-bonded Turntrans-94.1-17.9172.3-59.8-167.4179.700112.6Q177 I178 S182Q177-E180 PolarHBondContact O-N 3.29Å; I178-E180 VanDerWaalsContact C-N 3.34Å; E180-S182 PolarHBondContact O-N 2.94Å; E180-S182 PolarHBondContact O-OG 2.94Å
181D50Low60.1Low44 Ų4462.2 Ų62.224%0.23534%0.336CS..  trans-64.688.8-178.3-169.8-2.8000111.9I178 G183 P185I178-D181 PolarHBondContact O-N 3.21Å; D181-G183 PolarHBondContact O-N 3.35Å; D181-G183 WeakPolarHBondContact OD1-CA 3.42Å; D181-G183 PolarHBondContact OD1-N 3.37Å; D181-P185 WeakPolarHBondContact OD2-CG 3.39Å
182S43.9Very low58.8Low128 Ų12861.6 Ų61.690%0.89534%0.335SS*.  trans-77.51.7170.7-59.50000112.6E180E180-S182 PolarHBondContact O-N 2.94Å; E180-S182 PolarHBondContact O-OG 2.94Å
183G47.3Very low58.1Low39 Ų3963.2 Ų63.240%0.40235%0.345SS..SBendtrans-77.1-175.4167.100000112D181 P185D181-G183 PolarHBondContact O-N 3.35Å; D181-G183 WeakPolarHBondContact OD1-CA 3.42Å; D181-G183 PolarHBondContact OD1-N 3.37Å; G183-P185 WeakPolarHBondContact O-CD 3.18Å
184N45.6Very low58.2Low107 Ų10764.7 Ų64.757%0.57235%0.351SS*.  trans-107.294.7174.7-124.6-67.2000108A186 L187N184-A186 PolarHBondContact O-N 3.21Å; N184-L187 HydrophobicContact CB-CD1 3.89Å; N184-L187 HydrophobicContact CB-CG 4.23Å; N184-L187 PolarHBondContact O-N 2.79Å
185P48.6Very low58.6Low20 Ų2068.7 Ų68.713%0.1337%0.366CS..G310 helixtrans-64.9-29.4-169.9-9.419.5000111.6D181 G183 L187 T188 Y208D181-P185 WeakPolarHBondContact OD2-CG 3.39Å; G183-P185 WeakPolarHBondContact O-CD 3.18Å; P185-L187 PolarHBondContact O-N 3.44Å; P185-T188 PolarHBondContact O-OG1 3.42Å; P185-Y208 HydrophobicContact CB-CE2 4.06Å; P185-Y208 HydrophobicContact CG-CE2 4.03Å
186A41.2Very low59.3Low12 Ų1268.8 Ų68.810%0.09937%0.365CS..G310 helixtrans-60.7-23.5-177.600000114.7N184 T188 E189 Y190N184-A186 PolarHBondContact O-N 3.21Å; A186-T188 PolarHBondContact O-N 3.07Å; A186-E189 PolarHBondContact O-N 3.27Å; A186-E189 VanDerWaalsContact O-N 3.15Å; A186-Y190 WeakPolarHBondContact O-CD2 3.23Å; A186-Y190 WeakPolarHBondContact O-CE2 3.45Å
187L42.1Very low60.2Low127 Ų12767.5 Ų67.567%0.66536%0.356SS*.G310 helixtrans-69.1-30-170.5-77.1171.6000114.2N184 P185N184-L187 HydrophobicContact CB-CD1 3.89Å; N184-L187 HydrophobicContact CB-CG 4.23Å; N184-L187 PolarHBondContact O-N 2.79Å; P185-L187 PolarHBondContact O-N 3.44Å
188T47.6Very low61.7Low107 Ų10766.9 Ų66.966%0.65635%0.353SS*.G310 helixtrans-87.9-10173.842.90000113.2P185 A186P185-T188 PolarHBondContact O-OG1 3.42Å; A186-T188 PolarHBondContact O-N 3.07Å
189E51.2Low63.2Low13 Ų1366.4 Ų66.46%0.06135%0.351CS..  trans-91.4-1.1-170.1-170.6157.9-175.700114.3R149 A186 V191 R197R149-E189 IonicContact CZ-OE1 3.04Å; R149-E189 IonicContact CZ-OE2 2.72Å; R149-E189 IonicContact NH1-OE1 2.65Å; R149-E189 IonicContact NH1-OE2 3.89Å; R149-E189 PolarHBondContact NH1-OE2 3.22Å; R149-E189 IonicContact NH2-OE2 3.91Å; A186-E189 PolarHBondContact O-N 3.27Å; A186-E189 VanDerWaalsContact O-N 3.15Å; E189-V191 PolarHBondContact O-N 3.03Å; E189-R197 VanDerWaalsContact O-CZ 3.24Å; E189-R197 PolarHBondContact O-NH1 3.15Å; E189-R197 PolarHBondContact O-NH2 3.23Å
190Y51.2Low64.8Low154 Ų15459 Ų5960%0.60432%0.317SS*.  trans-64.2-4.6-175.3-83.3-86.3000116.5A186A186-Y190 WeakPolarHBondContact O-CD2 3.23Å; A186-Y190 WeakPolarHBondContact O-CE2 3.45Å
191V50.7Low66.7Low78 Ų7852.4 Ų52.447%0.47329%0.286SS..SBendtrans-109.236-160.8-142.90000114.6E189 Y588E189-V191 PolarHBondContact O-N 3.03Å; V191-Y588 HydrophobicContact CG1-CE1 4.12Å; V191-Y588 HydrophobicContact CG1-CE2 3.99Å; V191-Y588 VanDerWaalsContact CG1-OH 3.27Å; V191-Y588 WeakPolarHBondContact CG1-OH 3.42Å; V191-Y588 VanDerWaalsContact O-CD1 3.25Å; V191-Y588 WeakPolarHBondContact O-CD1 3.24Å; V191-Y588 WeakPolarHBondContact O-CD2 3.33Å; V191-Y588 WeakPolarHBondContact O-CE1 3.18Å; V191-Y588 VanDerWaalsContact O-CE2 3.27Å; V191-Y588 WeakPolarHBondContact O-CE2 3.47Å
192A60.5Low68.6Low15 Ų1550.9 Ų50.912%0.12428%0.278CS..SBendtrans-142.3177.6175.100000113.9R194A192-R194 PolarHBondContact O-N 2.93Å
193T75.2Confident70.7Confident33 Ų3345 Ų4520%0.20224%0.236CC..  trans-67.3101.7-175.5-53.60000111.5W195 Y196T193-W195 HydrophobicContact CG2-CB 4.24Å; T193-W195 HydrophobicContact CG2-CD2 3.93Å; T193-W195 HydrophobicContact CG2-CE3 4.09Å; T193-W195 HydrophobicContact CG2-CG 4Å; T193-W195 PolarHBondContact O-N 3.04Å; T193-Y196 HydrophobicContact CG2-CD2 4.31Å; T193-Y196 HydrophobicContact CG2-CE2 3.81Å
194R90.4Very high72.3Confident67 Ų6744.5 Ų44.525%0.25323%0.232SC..G310 helixtrans-65.5-8.3-173.873.6-176.770.983.91.2116.5A192 Y196 R197 L202 G233 T234 S235 Q239A192-R194 PolarHBondContact O-N 2.93Å; R194-Y196 VanDerWaalsContact C-N 3.28Å; R194-Y196 PolarHBondContact O-N 3.26Å; R194-R197 PolarHBondContact O-N 3.41Å; R194-L202 HydrophobicContact CB-CD2 4.41Å; R194-G233 PolarHBondContact NH1-O 3.15Å; R194-T234 PolarHBondContact NH1-O 2.84Å; R194-S235 WeakPolarHBondContact CD-O 3.37Å; R194-Q239 HydrophobicContact CG-CB 4.31Å; R194-Q239 HydrophobicContact CG-CG 4.23Å; R194-Q239 VanDerWaalsContact O-CD 3.3Å; R194-Q239 PolarHBondContact O-NE2 3.21Å
195W95.9Very high74.2Confident85 Ų8539.5 Ų39.532%0.32221%0.205SC..G310 helixtrans-66.2-26.1-167.9-60.5-15.4000114.7T193 A229 F231 P232 G233 Q239T193-W195 HydrophobicContact CG2-CB 4.24Å; T193-W195 HydrophobicContact CG2-CD2 3.93Å; T193-W195 HydrophobicContact CG2-CE3 4.09Å; T193-W195 HydrophobicContact CG2-CG 4Å; T193-W195 PolarHBondContact O-N 3.04Å; W195-A229 HydrophobicContact CD2-CB 4.33Å; W195-A229 HydrophobicContact CE3-CB 3.58Å; W195-A229 HydrophobicContact CZ3-CB 3.92Å; W195-F231 WeakPolarHBondContact CA-O 3.37Å; W195-F231 WeakPolarHBondContact CB-O 3.31Å; W195-P232 HydrophobicContact CD2-CB 4.37Å; W195-P232 HydrophobicContact CZ2-CB 4.24Å; W195-G233 PolarHBondContact NE1-O 2.78Å; W195-Q239 PolarHBondContact O-NE2 2.97Å; W195-Q239 VanDerWaalsContact O-NE2 3.16Å
196Y96.8Very high75.4Confident17 Ų1742.4 Ų42.47%0.06722%0.222CC..G310 helixtrans-104.7-1.2-177.6-42.6-84.4000112.6E151 K152 P153 T193 R194 W215 S216 C219 E223E151-Y196 WeakPolarHBondContact O-CB 3.49Å; K152-Y196 HydrophobicContact CB-CD1 4.29Å; K152-Y196 HydrophobicContact CB-CD2 3.42Å; K152-Y196 VanDerWaalsContact CB-CD2 3.42Å; K152-Y196 HydrophobicContact CB-CE1 4.35Å; K152-Y196 HydrophobicContact CB-CE2 3.47Å; K152-Y196 VanDerWaalsContact CB-CE2 3.47Å; K152-Y196 HydrophobicContact CB-CG 3.86Å; P153-Y196 VanDerWaalsContact CD-CZ 3.49Å; P153-Y196 HydrophobicContact CG-CE1 4.11Å; T193-Y196 HydrophobicContact CG2-CD2 4.31Å; T193-Y196 HydrophobicContact CG2-CE2 3.81Å; R194-Y196 VanDerWaalsContact C-N 3.28Å; R194-Y196 PolarHBondContact O-N 3.26Å; Y196-W215 VanDerWaalsContact O-CD1 3.28Å; Y196-S216 PolarHBondContact O-OG 3.12Å; Y196-C219 HydrophobicContact CD1-CB 3.8Å; Y196-E223 WeakPolarHBondContact CE1-OE2 3.4Å; Y196-E223 PolarHBondContact OH-OE2 3.24Å
197R94.1Very high77.3Confident30 Ų3045.8 Ų45.811%0.11323%0.232CC..  trans-73.4138.6-175.6-69.4-174.5175.6-165.8-8.7111.7E189 R194 I201 L202 W215E189-R197 VanDerWaalsContact O-CZ 3.24Å; E189-R197 PolarHBondContact O-NH1 3.15Å; E189-R197 PolarHBondContact O-NH2 3.23Å; R194-R197 PolarHBondContact O-N 3.41Å; R197-I201 HydrophobicContact CB-CG2 4.5Å; R197-L202 HydrophobicContact CB-CD1 4.29Å; R197-L202 HydrophobicContact CB-CD2 3.94Å; R197-L202 HydrophobicContact CB-CG 3.88Å; R197-L202 WeakPolarHBondContact O-CD1 3.41Å; R197-W215 PolarHBondContact O-NE1 3.37Å; R197-W215 VanDerWaalsContact O-NE1 3.12Å
198A94.4Very high79.3Confident0 Ų040.4 Ų40.40%020%0.203CC..  trans-68.9153.3177.400000112.9E200 I201 L202 W215A198-E200 VanDerWaalsContact C-N 3.3Å; A198-E200 VanDerWaalsContact CB-CD 3.44Å; A198-E200 HydrophobicContact CB-CG 4.48Å; A198-E200 WeakPolarHBondContact CB-OE1 3Å; A198-E200 WeakPolarHBondContact CB-OE2 2.89Å; A198-E200 PolarHBondContact O-N 3.15Å; A198-I201 HydrophobicContact CB-CG1 4.29Å; A198-I201 PolarHBondContact O-N 3.29Å; A198-I201 VanDerWaalsContact O-N 3.11Å; A198-L202 WeakPolarHBondContact O-CG 3.31Å; A198-L202 PolarHBondContact O-N 3.38Å; A198-L202 VanDerWaalsContact O-N 3.08Å; A198-W215 HydrophobicContact CB-CB 3.8Å; A198-W215 HydrophobicContact CB-CD2 4.38Å; A198-W215 HydrophobicContact CB-CG 3.68Å
199P93.8Very high81.4Confident4 Ų436.2 Ų36.23%0.02618%0.178CC..Hα-helixtrans-49.3-46.4178.5-29.134.9000113.7I201 L202 L203 W215 I243 I258 F300P199-I201 VanDerWaalsContact C-N 3.33Å; P199-I201 PolarHBondContact O-N 3.31Å; P199-L202 CarbonylContact O-C 3.49Å; P199-L202 PolarHBondContact O-N 3.16Å; P199-L202 VanDerWaalsContact O-N 3.12Å; P199-L203 HydrophobicContact CB-CD1 4.27Å; P199-L203 VanDerWaalsContact O-CB 3.28Å; P199-L203 WeakPolarHBondContact O-CB 3.39Å; P199-L203 WeakPolarHBondContact O-CD1 3.39Å; P199-L203 WeakPolarHBondContact O-CG 3.46Å; P199-L203 PolarHBondContact O-N 3.5Å; P199-W215 HydrophobicContact CG-CE3 4.26Å; P199-W215 HydrophobicContact CG-CH2 4.11Å; P199-W215 HydrophobicContact CG-CZ2 4.35Å; P199-W215 HydrophobicContact CG-CZ3 4.03Å; P199-I243 HydrophobicContact CG-CG2 4.29Å; P199-I258 HydrophobicContact CB-CD1 4.21Å; P199-F300 HydrophobicContact CB-CD2 4.05Å; P199-F300 HydrophobicContact CB-CE2 4.01Å; P199-F300 HydrophobicContact CG-CD2 4.19Å
200E91.1Very high83.5Confident1 Ų137.7 Ų37.71%0.00519%0.186CC..Hα-helixtrans-61.9-35.8-179.464.5-80.3-170.700113A198 G204 S205 V212 I258 R305A198-E200 VanDerWaalsContact C-N 3.3Å; A198-E200 VanDerWaalsContact CB-CD 3.44Å; A198-E200 HydrophobicContact CB-CG 4.48Å; A198-E200 WeakPolarHBondContact CB-OE1 3Å; A198-E200 WeakPolarHBondContact CB-OE2 2.89Å; A198-E200 PolarHBondContact O-N 3.15Å; E200-G204 PolarHBondContact O-N 3.09Å; E200-S205 VanDerWaalsContact O-CB 3.29Å; E200-S205 WeakPolarHBondContact O-CB 3.2Å; E200-S205 PolarHBondContact O-N 2.85Å; E200-V212 HydrophobicContact CG-CG2 4.35Å; E200-V212 WeakPolarHBondContact OE1-CG2 3.49Å; E200-I258 HydrophobicContact CB-CD1 4.29Å; E200-I258 HydrophobicContact CB-CG1 4.32Å; E200-I258 HydrophobicContact CB-CG2 4.23Å; E200-R305 IonicContact OE1-CZ 3.09Å; E200-R305 IonicContact OE1-NH1 3.86Å; E200-R305 PolarHBondContact OE1-NH1 3.2Å; E200-R305 IonicContact OE1-NH2 3.73Å; E200-R305 IonicContact OE2-CZ 3.54Å; E200-R305 IonicContact OE2-NH1 2.77Å; E200-R305 PolarHBondContact OE2-NH1 3.44Å; E200-R305 IonicContact OE2-NH2 3.95Å; E200-R305 PolarHBondContact OE2-NH2 2.93Å
201I88.4Confident85.7Confident20 Ų2030.6 Ų30.610%0.10316%0.16CC..Hα-helixtrans-69.3-43.1173.5-53.6-60.9000110.4R197 A198 P199 L203 G204 Y208 V212R197-I201 HydrophobicContact CB-CG2 4.5Å; A198-I201 HydrophobicContact CB-CG1 4.29Å; A198-I201 PolarHBondContact O-N 3.29Å; A198-I201 VanDerWaalsContact O-N 3.11Å; P199-I201 VanDerWaalsContact C-N 3.33Å; P199-I201 PolarHBondContact O-N 3.31Å; I201-L203 VanDerWaalsContact C-N 3.33Å; I201-L203 PolarHBondContact O-N 2.93Å; I201-G204 PolarHBondContact O-N 2.94Å; I201-Y208 HydrophobicContact CD1-CD1 3.42Å; I201-Y208 VanDerWaalsContact CD1-CD1 3.42Å; I201-Y208 HydrophobicContact CD1-CE1 3.54Å; I201-Y208 HydrophobicContact CD1-CG 4.11Å; I201-V212 HydrophobicContact CD1-CG1 4.11Å; I201-V212 HydrophobicContact CD1-CG2 3.99Å; I201-V212 HydrophobicContact CG1-CG1 3.94Å; I201-V212 HydrophobicContact CG1-CG2 4.24Å
202L89.8Confident87.8Confident12 Ų1227 Ų276%0.06314%0.138CC..Hα-helixtrans-71.5-27.1-178.8-67.6166.7000113.4R194 R197 A198 P199 T236 Q239 V240 I243R194-L202 HydrophobicContact CB-CD2 4.41Å; R197-L202 HydrophobicContact CB-CD1 4.29Å; R197-L202 HydrophobicContact CB-CD2 3.94Å; R197-L202 HydrophobicContact CB-CG 3.88Å; R197-L202 WeakPolarHBondContact O-CD1 3.41Å; A198-L202 WeakPolarHBondContact O-CG 3.31Å; A198-L202 PolarHBondContact O-N 3.38Å; A198-L202 VanDerWaalsContact O-N 3.08Å; P199-L202 CarbonylContact O-C 3.49Å; P199-L202 PolarHBondContact O-N 3.16Å; P199-L202 VanDerWaalsContact O-N 3.12Å; L202-T236 HydrophobicContact CB-CG2 4.23Å; L202-T236 HydrophobicContact CD2-CG2 4.03Å; L202-T236 WeakPolarHBondContact O-CG2 3.11Å; L202-Q239 HydrophobicContact CD1-CB 4.21Å; L202-Q239 HydrophobicContact CD1-CG 3.44Å; L202-Q239 VanDerWaalsContact CD1-CG 3.44Å; L202-Q239 HydrophobicContact CD2-CB 4.25Å; L202-Q239 HydrophobicContact CD2-CG 3.89Å; L202-Q239 HydrophobicContact CG-CG 4.33Å; L202-V240 HydrophobicContact CB-CG2 3.76Å; L202-V240 HydrophobicContact CD1-CG2 4.29Å; L202-I243 HydrophobicContact CD1-CD1 3.55Å
203L88.6Confident89.6Confident3 Ų326.3 Ų26.32%0.01613%0.132CC..THydrogen-bonded Turntrans-92.3-3179.2-64.5165000112.7P199 I201 V240 I258 S260 V266 I267 F300P199-L203 HydrophobicContact CB-CD1 4.27Å; P199-L203 VanDerWaalsContact O-CB 3.28Å; P199-L203 WeakPolarHBondContact O-CB 3.39Å; P199-L203 WeakPolarHBondContact O-CD1 3.39Å; P199-L203 WeakPolarHBondContact O-CG 3.46Å; P199-L203 PolarHBondContact O-N 3.5Å; I201-L203 VanDerWaalsContact C-N 3.33Å; I201-L203 PolarHBondContact O-N 2.93Å; L203-V240 HydrophobicContact CD2-CG1 4.22Å; L203-V240 HydrophobicContact CD2-CG2 4.18Å; L203-V240 HydrophobicContact CG-CG2 4.48Å; L203-I258 HydrophobicContact CB-CG2 4.39Å; L203-I258 HydrophobicContact CD1-CD1 3.86Å; L203-I258 HydrophobicContact CD1-CG2 4.34Å; L203-S260 WeakPolarHBondContact O-CB 3.26Å; L203-S260 PolarHBondContact O-OG 3.36Å; L203-V266 HydrophobicContact CD2-CB 4.24Å; L203-V266 HydrophobicContact CD2-CG1 4.32Å; L203-I267 HydrophobicContact CD1-CD1 4.02Å; L203-I267 HydrophobicContact CD1-CG1 4.22Å; L203-I267 HydrophobicContact CD2-CG1 4.26Å; L203-F300 HydrophobicContact CD1-CE2 4.21Å; L203-F300 HydrophobicContact CD1-CZ 3.99Å
204G82Confident90.7Very high30 Ų3024.8 Ų24.831%0.30912%0.123SC..THydrogen-bonded Turntrans71.843.2178.200000113.6E200 I201E200-G204 PolarHBondContact O-N 3.09Å; I201-G204 PolarHBondContact O-N 2.94Å
205S83.6Confident91.1Very high2 Ų221.6 Ų21.61%0.01411%0.111CC..  trans-64.1151.8167-171.30000111.3E200 R207 Y208 I258E200-S205 VanDerWaalsContact O-CB 3.29Å; E200-S205 WeakPolarHBondContact O-CB 3.2Å; E200-S205 PolarHBondContact O-N 2.85Å; S205-R207 PolarHBondContact OG-N 2.77Å; S205-R207 PolarHBondContact OG-O 3.4Å; S205-Y208 WeakPolarHBondContact O-CE1 3.35Å; S205-Y208 VanDerWaalsContact O-CZ 3.3Å; S205-Y208 PolarHBondContact O-OH 2.81Å; S205-I258 VanDerWaalsContact CB-O 3.22Å; S205-I258 WeakPolarHBondContact CB-O 3.36Å; S205-I258 PolarHBondContact OG-O 3.36Å
206T74.2Confident91.2Very high80 Ų8017.7 Ų17.749%0.49110%0.096SC..SBendtrans-91.6-9.516553.10000113
207R81.3Confident91.3Very high83 Ų8316.9 Ų16.931%0.3139%0.093SC..  trans-104.2113.2179.6-179.8170.3175.4-96.3-1.8110.9S205 T209 D303S205-R207 PolarHBondContact OG-N 2.77Å; S205-R207 PolarHBondContact OG-O 3.4Å; R207-T209 HydrophobicContact CG-CG2 4.39Å; R207-D303 IonicContact CZ-OD1 2.72Å; R207-D303 IonicContact CZ-OD2 2.73Å; R207-D303 VanDerWaalsContact NH1-CG 3.33Å; R207-D303 IonicContact NH1-OD1 3.42Å; R207-D303 PolarHBondContact NH1-OD1 3.19Å; R207-D303 VanDerWaalsContact NH1-OD1 3.17Å; R207-D303 IonicContact NH1-OD2 3.58Å; R207-D303 PolarHBondContact NH1-OD2 2.96Å; R207-D303 IonicContact NH2-OD1 3.53Å; R207-D303 PolarHBondContact NH2-OD1 3.35Å; R207-D303 IonicContact NH2-OD2 3.54Å; R207-D303 PolarHBondContact NH2-OD2 3.27Å
208Y85.1Confident91.6Very high14 Ų1415.4 Ų15.46%0.0559%0.088CC..  trans-107150.3170.8-48.7-37.2000110.3I178 P185 I201 S205I178-Y208 HydrophobicContact CD1-CD2 4.11Å; I178-Y208 HydrophobicContact CG1-CD2 4.47Å; I178-Y208 HydrophobicContact CG2-CD2 3.83Å; I178-Y208 HydrophobicContact CG2-CG 4.46Å; P185-Y208 HydrophobicContact CB-CE2 4.06Å; P185-Y208 HydrophobicContact CG-CE2 4.03Å; I201-Y208 HydrophobicContact CD1-CD1 3.42Å; I201-Y208 VanDerWaalsContact CD1-CD1 3.42Å; I201-Y208 HydrophobicContact CD1-CE1 3.54Å; I201-Y208 HydrophobicContact CD1-CG 4.11Å; S205-Y208 WeakPolarHBondContact O-CE1 3.35Å; S205-Y208 VanDerWaalsContact O-CZ 3.3Å; S205-Y208 PolarHBondContact O-OH 2.81Å
209T92.1Very high91.8Very high20 Ų2015.5 Ų15.512%0.1239%0.088CC..  trans-144.2171.5177.676.10000109.4R207 G211 V212R207-T209 HydrophobicContact CG-CG2 4.39Å; T209-G211 PolarHBondContact O-N 2.92Å; T209-G211 PolarHBondContact OG1-N 3.11Å; T209-G211 VanDerWaalsContact OG1-N 3.14Å; T209-V212 WeakPolarHBondContact O-CB 3.03Å; T209-V212 WeakPolarHBondContact O-CG2 3.29Å; T209-V212 PolarHBondContact O-N 2.77Å
210N95.3Very high92Very high43 Ų4315.3 Ų15.323%0.239%0.087CC..THydrogen-bonded Turntrans-50.3-24.3170.7-66.9-27000113.6H142 I147 L175 V212 D213 M214H142-N210 HydrophobicContact CB-CB 4.16Å; H142-N210 PolarHBondContact CD2-OD1 2.9Å; H142-N210 VanDerWaalsContact CD2-OD1 3.23Å; H142-N210 PolarHBondContact CE1-O 2.61Å; H142-N210 VanDerWaalsContact CG-CG 3.43Å; I147-N210 VanDerWaalsContact CG2-OD1 3.31Å; I147-N210 WeakPolarHBondContact CG2-OD1 3.29Å; L175-N210 WeakPolarHBondContact CD1-OD1 3.49Å; N210-V212 PolarHBondContact O-N 2.82Å; N210-V212 VanDerWaalsContact O-N 3.15Å; N210-D213 PolarHBondContact O-N 2.94Å; N210-M214 PolarHBondContact O-N 2.77Å
211G96.4Very high92.3Very high6 Ų615.3 Ų15.36%0.0629%0.087CC..Hα-helixtrans-59.6-21.517500000114.9T209 M214 W215 R305T209-G211 PolarHBondContact O-N 2.92Å; T209-G211 PolarHBondContact OG1-N 3.11Å; T209-G211 VanDerWaalsContact OG1-N 3.14Å; G211-M214 PolarHBondContact O-N 2.88Å; G211-W215 PolarHBondContact O-N 2.96Å; G211-R305 VanDerWaalsContact C-NH1 3.27Å; G211-R305 WeakPolarHBondContact O-CD 3.43Å; G211-R305 PolarHBondContact O-NH1 3.13Å
212V95.5Very high92.8Very high2 Ų214.3 Ų14.31%0.0128%0.082CC..Hα-helixtrans-62-43.2177.5173.60000111.3R149 E200 I201 T209 N210 S216R149-V212 HydrophobicContact CG-CG1 4.4Å; E200-V212 HydrophobicContact CG-CG2 4.35Å; E200-V212 WeakPolarHBondContact OE1-CG2 3.49Å; I201-V212 HydrophobicContact CD1-CG1 4.11Å; I201-V212 HydrophobicContact CD1-CG2 3.99Å; I201-V212 HydrophobicContact CG1-CG1 3.94Å; I201-V212 HydrophobicContact CG1-CG2 4.24Å; T209-V212 WeakPolarHBondContact O-CB 3.03Å; T209-V212 WeakPolarHBondContact O-CG2 3.29Å; T209-V212 PolarHBondContact O-N 2.77Å; N210-V212 PolarHBondContact O-N 2.82Å; N210-V212 VanDerWaalsContact O-N 3.15Å; V212-S216 PolarHBondContact O-N 3.25Å; V212-S216 PolarHBondContact O-OG 2.68Å
213D98Very high93.1Very high0 Ų014 Ų140%08%0.08CC..Hα-helixtrans-77.3-37.6177.9-56.7-40.7000110.6N138 H142 I147 H148 R149 N210 W215 S216 L217N138-D213 WeakPolarHBondContact OD1-CB 3.38Å; H142-D213 IonicContact CD2-OD2 3.59Å; H142-D213 IonicContact NE2-OD2 3.81Å; H142-D213 PolarHBondContact NE2-OD2 2.77Å; H142-D213 VanDerWaalsContact NE2-OD2 3.09Å; I147-D213 WeakPolarHBondContact CA-OD2 3.36Å; I147-D213 WeakPolarHBondContact CB-OD2 3.21Å; H148-D213 PolarHBondContact N-OD1 3.41Å; H148-D213 VanDerWaalsContact N-OD1 3.16Å; H148-D213 PolarHBondContact N-OD2 2.88Å; R149-D213 PolarHBondContact N-OD1 3.29Å; N210-D213 PolarHBondContact O-N 2.94Å; D213-W215 VanDerWaalsContact C-N 3.27Å; D213-W215 PolarHBondContact O-N 3.35Å; D213-S216 CarbonylContact O-C 3.59Å; D213-S216 WeakPolarHBondContact O-CA 3.27Å; D213-S216 VanDerWaalsContact O-CB 3.26Å; D213-S216 WeakPolarHBondContact O-CB 3.33Å; D213-S216 PolarHBondContact O-N 2.64Å; D213-L217 WeakPolarHBondContact O-CG 3.3Å; D213-L217 PolarHBondContact O-N 2.73Å
214M98.8Very high93.5Very high2 Ų214.2 Ų14.21%0.018%0.081CC..Hα-helixtrans-59.1-36.6175.8-57.9-51.3-57.800112.6F135 N138 N210 G211 L217 G218 L297 L306 A308 A311F135-M214 HydrophobicContact CD1-CE 3.87Å; F135-M214 HydrophobicContact CE1-CE 3.96Å; N138-M214 HydrophobicContact CB-SD 4.46Å; N210-M214 PolarHBondContact O-N 2.77Å; G211-M214 PolarHBondContact O-N 2.88Å; M214-L217 HydrophobicContact CE-CD1 4.1Å; M214-L217 PolarHBondContact O-N 3.44Å; M214-L217 HydrophobicContact SD-CD1 4.02Å; M214-G218 PolarHBondContact O-N 2.84Å; M214-L297 HydrophobicContact CB-CD2 4.24Å; M214-L297 HydrophobicContact CE-CD2 3.53Å; M214-L306 WeakPolarHBondContact CE-O 3.03Å; M214-L306 WeakPolarHBondContact CG-O 3.36Å; M214-A308 HydrophobicContact CE-CB 4.27Å; M214-A308 HydrophobicContact SD-CB 3.8Å; M214-A311 HydrophobicContact CE-CB 4.05Å
215W98.5Very high94.2Very high0 Ų013.6 Ų13.60%07%0.071CC..Hα-helixtrans-63.6-42.3170.1175.2-82.5000112.4Y196 R197 A198 P199 G211 D213 L217 G218 C219 F231 I243 I247 L298Y196-W215 VanDerWaalsContact O-CD1 3.28Å; R197-W215 PolarHBondContact O-NE1 3.37Å; R197-W215 VanDerWaalsContact O-NE1 3.12Å; A198-W215 HydrophobicContact CB-CB 3.8Å; A198-W215 HydrophobicContact CB-CD2 4.38Å; A198-W215 HydrophobicContact CB-CG 3.68Å; P199-W215 HydrophobicContact CG-CE3 4.26Å; P199-W215 HydrophobicContact CG-CH2 4.11Å; P199-W215 HydrophobicContact CG-CZ2 4.35Å; P199-W215 HydrophobicContact CG-CZ3 4.03Å; G211-W215 PolarHBondContact O-N 2.96Å; D213-W215 VanDerWaalsContact C-N 3.27Å; D213-W215 PolarHBondContact O-N 3.35Å; W215-L217 VanDerWaalsContact C-N 3.32Å; W215-L217 PolarHBondContact O-N 3.39Å; W215-G218 WeakPolarHBondContact O-CA 3.27Å; W215-G218 PolarHBondContact O-N 3.15Å; W215-G218 VanDerWaalsContact O-N 3.14Å; W215-C219 PolarHBondContact NE1-SG 3.01Å; W215-C219 PolarHBondContact O-N 3.44Å; W215-C219 PolarHBondContact O-SG 2.96Å; W215-C219 VanDerWaalsContact O-SG 3.34Å; W215-F231 HydrophobicContact CH2-CE2 4.26Å; W215-F231 HydrophobicContact CZ2-CD2 4.21Å; W215-F231 AromaticContact CZ2-CE2 3.77Å; W215-F231 HydrophobicContact CZ2-CE2 3.77Å; W215-I243 HydrophobicContact CH2-CG1 4.48Å; W215-I243 HydrophobicContact CH2-CG2 3.51Å; W215-I243 HydrophobicContact CZ2-CB 4.45Å; W215-I243 HydrophobicContact CZ2-CD1 3.81Å; W215-I243 HydrophobicContact CZ2-CG1 3.88Å; W215-I243 HydrophobicContact CZ2-CG2 3.76Å; W215-I247 HydrophobicContact CH2-CD1 4.09Å; W215-I247 HydrophobicContact CH2-CG2 4.04Å; W215-I247 HydrophobicContact CZ3-CD1 4.21Å; W215-I247 HydrophobicContact CZ3-CG2 4.48Å; W215-L298 HydrophobicContact CD2-CD2 3.83Å; W215-L298 HydrophobicContact CE3-CB 4.46Å; W215-L298 HydrophobicContact CE3-CD2 3.87Å; W215-L298 HydrophobicContact CG-CD2 4.43Å; W215-L298 HydrophobicContact CH2-CB 4.25Å; W215-L298 HydrophobicContact CH2-CD2 3.94Å; W215-L298 HydrophobicContact CZ2-CD2 3.93Å; W215-L298 VanDerWaalsContact CZ3-C 3.48Å; W215-L298 HydrophobicContact CZ3-CB 3.98Å; W215-L298 HydrophobicContact CZ3-CD2 3.95Å
216S98.4Very high94.7Very high2 Ų214.8 Ų14.81%0.0148%0.077CC..Hα-helixtrans-63.4-39.9178.4-53.50000110.9Y196 V212 D213 C219 I220Y196-S216 PolarHBondContact O-OG 3.12Å; V212-S216 PolarHBondContact O-N 3.25Å; V212-S216 PolarHBondContact O-OG 2.68Å; D213-S216 CarbonylContact O-C 3.59Å; D213-S216 WeakPolarHBondContact O-CA 3.27Å; D213-S216 VanDerWaalsContact O-CB 3.26Å; D213-S216 WeakPolarHBondContact O-CB 3.33Å; D213-S216 PolarHBondContact O-N 2.64Å; S216-C219 WeakPolarHBondContact O-CB 3.11Å; S216-C219 PolarHBondContact O-N 3.29Å; S216-I220 WeakPolarHBondContact O-CG1 3.15Å; S216-I220 PolarHBondContact O-N 2.97Å
217L98.8Very high95.6Very high0 Ų013.1 Ų13.10%08%0.076CC..Hα-helixtrans-62.1-39.5170.6-69.2-178.2000112.8M131 L134 F135 N138 E151 D213 M214 W215 C219 I220 L221M131-L217 HydrophobicContact CE-CB 4.03Å; M131-L217 HydrophobicContact CE-CD2 4.36Å; L134-L217 HydrophobicContact CB-CD2 3.66Å; L134-L217 HydrophobicContact CD1-CD2 3.84Å; L134-L217 HydrophobicContact CD2-CD2 4.34Å; L134-L217 HydrophobicContact CG-CD2 4.15Å; F135-L217 HydrophobicContact CD1-CD1 3.6Å; F135-L217 HydrophobicContact CE1-CB 4.27Å; F135-L217 HydrophobicContact CE1-CD1 3.77Å; N138-L217 HydrophobicContact CB-CD1 4.28Å; E151-L217 WeakPolarHBondContact OE2-CD2 3.2Å; D213-L217 WeakPolarHBondContact O-CG 3.3Å; D213-L217 PolarHBondContact O-N 2.73Å; M214-L217 HydrophobicContact CE-CD1 4.1Å; M214-L217 PolarHBondContact O-N 3.44Å; M214-L217 HydrophobicContact SD-CD1 4.02Å; W215-L217 VanDerWaalsContact C-N 3.32Å; W215-L217 PolarHBondContact O-N 3.39Å; L217-C219 VanDerWaalsContact C-N 3.35Å; L217-I220 HydrophobicContact CD2-CD1 4.2Å; L217-I220 PolarHBondContact O-N 2.93Å; L217-L221 PolarHBondContact O-N 2.89Å
218G98.6Very high96.2Very high0 Ų015.6 Ų15.60%09%0.089CC..Hα-helixtrans-58.7-45.6169.900000111.9M214 W215 I220 L221 G222 L294M214-G218 PolarHBondContact O-N 2.84Å; W215-G218 WeakPolarHBondContact O-CA 3.27Å; W215-G218 PolarHBondContact O-N 3.15Å; W215-G218 VanDerWaalsContact O-N 3.14Å; G218-I220 VanDerWaalsContact C-N 3.34Å; G218-I220 PolarHBondContact O-N 3.06Å; G218-L221 PolarHBondContact O-N 3.09Å; G218-G222 PolarHBondContact O-N 3.3Å; G218-L294 WeakPolarHBondContact O-CD1 3.27Å
219C98.6Very high96.7Very high2 Ų215.5 Ų15.51%0.0149%0.091CC..Hα-helixtrans-63.3-37.6176.1-63.30000112.6Y196 W215 S216 L217 E223Y196-C219 HydrophobicContact CD1-CB 3.8Å; W215-C219 PolarHBondContact NE1-SG 3.01Å; W215-C219 PolarHBondContact O-N 3.44Å; W215-C219 PolarHBondContact O-SG 2.96Å; W215-C219 VanDerWaalsContact O-SG 3.34Å; S216-C219 WeakPolarHBondContact O-CB 3.11Å; S216-C219 PolarHBondContact O-N 3.29Å; L217-C219 VanDerWaalsContact C-N 3.35Å; C219-E223 WeakPolarHBondContact O-CB 3.47Å; C219-E223 PolarHBondContact O-N 3.16Å
220I98.6Very high96.9Very high0 Ų015.3 Ų15.30%09%0.089CC..Hα-helixtrans-66.2-45.1175.5-70.8159.1000111.5L112 M131 L134 E151 P153 V156 S216 L217 G218 E223 M224L112-I220 HydrophobicContact CD2-CG2 3.69Å; M131-I220 HydrophobicContact SD-CG2 4.45Å; L134-I220 HydrophobicContact CD1-CG2 4.14Å; E151-I220 HydrophobicContact CB-CD1 4.27Å; P153-I220 HydrophobicContact CG-CG1 4.07Å; V156-I220 HydrophobicContact CG2-CD1 4.36Å; S216-I220 WeakPolarHBondContact O-CG1 3.15Å; S216-I220 PolarHBondContact O-N 2.97Å; L217-I220 HydrophobicContact CD2-CD1 4.2Å; L217-I220 PolarHBondContact O-N 2.93Å; G218-I220 VanDerWaalsContact C-N 3.34Å; G218-I220 PolarHBondContact O-N 3.06Å; I220-E223 PolarHBondContact O-N 2.79Å; I220-M224 HydrophobicContact CG2-CE 4.38Å; I220-M224 PolarHBondContact O-N 2.8Å
221L98.5Very high97Very high0 Ų013.4 Ų13.40%08%0.079CC..Hα-helixtrans-60.9-47174.8175.655.6000110.9M131 L217 G218 E223 M224 L225 L293 L294 L297 Y316M131-L221 HydrophobicContact CE-CB 4.08Å; M131-L221 HydrophobicContact CG-CB 4.44Å; M131-L221 HydrophobicContact CG-CD1 3.95Å; M131-L221 HydrophobicContact SD-CB 3.89Å; M131-L221 HydrophobicContact SD-CD1 4.41Å; L217-L221 PolarHBondContact O-N 2.89Å; G218-L221 PolarHBondContact O-N 3.09Å; L221-E223 PolarHBondContact O-N 2.99Å; L221-M224 HydrophobicContact CD1-CE 4.49Å; L221-M224 PolarHBondContact O-N 3.47Å; L221-L225 HydrophobicContact CD1-CD1 3.88Å; L221-L225 HydrophobicContact CD1-CG 3.98Å; L221-L225 HydrophobicContact CG-CD1 3.94Å; L221-L225 HydrophobicContact CG-CG 4.46Å; L221-L225 VanDerWaalsContact O-CG 3.31Å; L221-L225 WeakPolarHBondContact O-CG 3.38Å; L221-L225 PolarHBondContact O-N 2.93Å; L221-L293 HydrophobicContact CD2-CB 4.22Å; L221-L293 HydrophobicContact CD2-CD2 3.72Å; L221-L293 HydrophobicContact CD2-CG 3.84Å; L221-L294 HydrophobicContact CB-CD1 4.23Å; L221-L294 HydrophobicContact CD2-CB 4.19Å; L221-L294 HydrophobicContact CD2-CD1 4.35Å; L221-L294 HydrophobicContact CG-CD1 4.25Å; L221-L297 HydrophobicContact CD2-CD1 4.38Å; L221-Y316 HydrophobicContact CD1-CE1 3.99Å
222G97.7Very high97Very high0 Ų015.7 Ų15.70%09%0.092CC..Hα-helixtrans-58-43.9175.400000113G218 L225 L226G218-G222 PolarHBondContact O-N 3.3Å; G222-L225 PolarHBondContact O-N 2.74Å; G222-L226 WeakPolarHBondContact O-CB 3.31Å; G222-L226 PolarHBondContact O-N 3.42Å
223E97.3Very high96.9Very high4 Ų415.6 Ų15.62%0.0199%0.092CC..Hα-helixtrans-66-37.1175.7178.6162.4162.800112.6H113 I116 P153 Y196 C219 I220 L221 G227 K228 A229H113-E223 IonicContact ND1-OE1 3.68Å; H113-E223 PolarHBondContact ND1-OE1 3.36Å; I116-E223 HydrophobicContact CD1-CG 3.89Å; I116-E223 HydrophobicContact CG2-CG 4.07Å; P153-E223 HydrophobicContact CG-CG 4.5Å; Y196-E223 WeakPolarHBondContact CE1-OE2 3.4Å; Y196-E223 PolarHBondContact OH-OE2 3.24Å; C219-E223 WeakPolarHBondContact O-CB 3.47Å; C219-E223 PolarHBondContact O-N 3.16Å; I220-E223 PolarHBondContact O-N 2.79Å; L221-E223 PolarHBondContact O-N 2.99Å; E223-G227 WeakPolarHBondContact O-CA 3.49Å; E223-G227 PolarHBondContact O-N 3.11Å; E223-K228 WeakPolarHBondContact CA-O 3.44Å; E223-K228 PolarHBondContact O-N 3.14Å; E223-A229 WeakPolarHBondContact OE2-CA 3.36Å; E223-A229 WeakPolarHBondContact OE2-CB 3.4Å
224M97Very high96.7Very high8 Ų820.8 Ų20.84%0.03912%0.124CC..Hα-helixtrans-64.5-41.5172.6-79.2-162-67.500112.7L112 I116 L122 K127 V130 M131 I220 L221L112-M224 HydrophobicContact CD1-CG 4.24Å; L112-M224 HydrophobicContact CD1-SD 3.91Å; L112-M224 HydrophobicContact CD2-CG 4.29Å; L112-M224 HydrophobicContact CD2-SD 4.14Å; I116-M224 HydrophobicContact CD1-CB 4.35Å; I116-M224 HydrophobicContact CD1-CG 3.53Å; I116-M224 HydrophobicContact CG1-CG 4.06Å; L122-M224 HydrophobicContact CD1-CG 4.09Å; L122-M224 HydrophobicContact CD1-SD 4.09Å; K127-M224 HydrophobicContact CB-CE 4.32Å; K127-M224 HydrophobicContact CB-SD 4.26Å; K127-M224 HydrophobicContact CD-CB 4.1Å; K127-M224 VanDerWaalsContact CE-C 3.49Å; K127-M224 WeakPolarHBondContact CE-O 3.41Å; K127-M224 HydrophobicContact CG-CB 4.23Å; K127-M224 HydrophobicContact CG-SD 4.25Å; V130-M224 HydrophobicContact CB-CE 4.24Å; V130-M224 HydrophobicContact CB-SD 4.16Å; V130-M224 HydrophobicContact CG1-CE 3.91Å; V130-M224 HydrophobicContact CG1-SD 3.92Å; M131-M224 HydrophobicContact CG-CE 3.74Å; M131-M224 HydrophobicContact SD-CE 3.37Å; M131-M224 WeakPolarHBondContact SD-CE 3.45Å; I220-M224 HydrophobicContact CG2-CE 4.38Å; I220-M224 PolarHBondContact O-N 2.8Å; L221-M224 HydrophobicContact CD1-CE 4.49Å; L221-M224 PolarHBondContact O-N 3.47Å
225L95.5Very high96.3Very high18 Ų1823.1 Ų23.19%0.09414%0.14CC..Hα-helixtrans-70.1-41178.9-68.4170.6000111.9K127 L221 G222 L282 V286 A290K127-L225 HydrophobicContact CD-CD2 3.87Å; L221-L225 HydrophobicContact CD1-CD1 3.88Å; L221-L225 HydrophobicContact CD1-CG 3.98Å; L221-L225 HydrophobicContact CG-CD1 3.94Å; L221-L225 HydrophobicContact CG-CG 4.46Å; L221-L225 VanDerWaalsContact O-CG 3.31Å; L221-L225 WeakPolarHBondContact O-CG 3.38Å; L221-L225 PolarHBondContact O-N 2.93Å; G222-L225 PolarHBondContact O-N 2.74Å; L225-L282 HydrophobicContact CB-CD2 3.94Å; L225-V286 HydrophobicContact CB-CG2 4.23Å; L225-V286 HydrophobicContact CD1-CG1 4.04Å; L225-V286 HydrophobicContact CD2-CG1 4.14Å; L225-V286 HydrophobicContact CD2-CG2 4.29Å; L225-A290 HydrophobicContact CD1-CB 4.12Å; L225-A290 HydrophobicContact CD2-CB 4.12Å
226L93.9Very high95.9Very high27 Ų2725.3 Ų25.314%0.14115%0.154CC..Hα-helixtrans-88.7-18.1-173.8-170.154.6000114.1G222 K228 L230 L281 L282G222-L226 WeakPolarHBondContact O-CB 3.31Å; G222-L226 PolarHBondContact O-N 3.42Å; L226-K228 HydrophobicContact CD2-CG 4.09Å; L226-K228 HydrophobicContact CG-CD 4.33Å; L226-K228 VanDerWaalsContact CG-CE 3.5Å; L226-K228 HydrophobicContact CG-CG 3.74Å; L226-K228 PolarHBondContact O-N 2.9Å; L226-L230 HydrophobicContact CD2-CD1 4.12Å; L226-L281 WeakPolarHBondContact CD1-O 3.48Å; L226-L282 HydrophobicContact CB-CD2 4.15Å
227G93.4Very high95.5Very high45 Ų4527.3 Ų27.346%0.46416%0.164SC..SBendtrans75.67.5-177.100000114.8E223E223-G227 WeakPolarHBondContact O-CA 3.49Å; E223-G227 PolarHBondContact O-N 3.11Å
228K93.8Very high95.2Very high134 Ų13429 Ų2958%0.58317%0.173SC*.SBendtrans-159.2154.4-178.356.1176-179.1-178.20108.9E223 L226 L230E223-K228 WeakPolarHBondContact CA-O 3.44Å; E223-K228 PolarHBondContact O-N 3.14Å; L226-K228 HydrophobicContact CD2-CG 4.09Å; L226-K228 HydrophobicContact CG-CD 4.33Å; L226-K228 VanDerWaalsContact CG-CE 3.5Å; L226-K228 HydrophobicContact CG-CG 3.74Å; L226-K228 PolarHBondContact O-N 2.9Å; K228-L230 PolarHBondContact O-N 3.1Å
229A96.1Very high95Very high13 Ų1329 Ų2911%0.10717%0.173CC..  trans-50.9130.3-179.700000112.8W195 E223 P232W195-A229 HydrophobicContact CD2-CB 4.33Å; W195-A229 HydrophobicContact CE3-CB 3.58Å; W195-A229 HydrophobicContact CZ3-CB 3.92Å; E223-A229 WeakPolarHBondContact OE2-CA 3.36Å; E223-A229 WeakPolarHBondContact OE2-CB 3.4Å; A229-P232 HydrophobicContact CB-CB 4.45Å; A229-P232 WeakPolarHBondContact O-CD 3.42Å
230L96.7Very high94.8Very high16 Ų1629.2 Ų29.28%0.08417%0.174CC..SBendtrans-66.1-47.8-175.4-174.567.7000111.8L226 K228 P232 L278 L298L226-L230 HydrophobicContact CD2-CD1 4.12Å; K228-L230 PolarHBondContact O-N 3.1Å; L230-P232 VanDerWaalsContact C-CD 3.47Å; L230-P232 VanDerWaalsContact O-CD 3.28Å; L230-P232 WeakPolarHBondContact O-CD 3.25Å; L230-L278 HydrophobicContact CD1-CD2 4.45Å; L230-L278 HydrophobicContact CD2-CD2 4.18Å; L230-L298 HydrophobicContact CD2-CD1 3.51Å
231F97.1Very high94.5Very high3 Ų331.9 Ų31.91%0.01319%0.187CC..  trans-120.675.5-178-55.6-49.9000112.1W195 W215 G233 Q239 K242 I243 A246 L278 L298W195-F231 WeakPolarHBondContact CA-O 3.37Å; W195-F231 WeakPolarHBondContact CB-O 3.31Å; W215-F231 HydrophobicContact CH2-CE2 4.26Å; W215-F231 HydrophobicContact CZ2-CD2 4.21Å; W215-F231 AromaticContact CZ2-CE2 3.77Å; W215-F231 HydrophobicContact CZ2-CE2 3.77Å; F231-G233 VanDerWaalsContact C-N 3.32Å; F231-G233 PolarHBondContact O-N 3.21Å; F231-Q239 PolarHBondContact O-NE2 3.49Å; F231-Q239 PolarHBondContact O-OE1 2.76Å; F231-K242 HydrophobicContact CD1-CB 4.36Å; F231-I243 HydrophobicContact CB-CG1 4.33Å; F231-I243 HydrophobicContact CD1-CG1 4.37Å; F231-I243 HydrophobicContact CD2-CG1 3.78Å; F231-I243 HydrophobicContact CE2-CG1 4.12Å; F231-I243 HydrophobicContact CG-CG1 3.91Å; F231-A246 HydrophobicContact CE1-CB 3.54Å; F231-A246 HydrophobicContact CZ-CB 4.01Å; F231-L278 HydrophobicContact CZ-CD2 4.21Å; F231-L298 HydrophobicContact CE2-CD1 4.06Å; F231-L298 HydrophobicContact CE2-CD2 4.37Å; F231-L298 HydrophobicContact CZ-CD1 4.17Å
232P95.8Very high94.3Very high53 Ų5335.2 Ų35.234%0.34420%0.201SC..  trans-82.869.9-176.733.4-35.4000111.9W195 A229 L230 K242W195-P232 HydrophobicContact CD2-CB 4.37Å; W195-P232 HydrophobicContact CZ2-CB 4.24Å; A229-P232 HydrophobicContact CB-CB 4.45Å; A229-P232 WeakPolarHBondContact O-CD 3.42Å; L230-P232 VanDerWaalsContact C-CD 3.47Å; L230-P232 VanDerWaalsContact O-CD 3.28Å; L230-P232 WeakPolarHBondContact O-CD 3.25Å; P232-K242 VanDerWaalsContact O-CE 3.3Å; P232-K242 WeakPolarHBondContact O-CE 3.28Å
233G94.6Very high94.3Very high1 Ų135.3 Ų35.31%0.0120%0.202CC..  trans-76.6137.1-17800000114.6R194 W195 F231R194-G233 PolarHBondContact NH1-O 3.15Å; W195-G233 PolarHBondContact NE1-O 2.78Å; F231-G233 VanDerWaalsContact C-N 3.32Å; F231-G233 PolarHBondContact O-N 3.21Å
234T92.4Very high94.1Very high109 Ų10935.2 Ų35.267%0.66920%0.201SC*.SBendtrans-81.7-25.6-178.757.10000113.7R194 N238R194-T234 PolarHBondContact NH1-O 2.84Å; T234-N238 PolarHBondContact N-OD1 2.93Å; T234-N238 VanDerWaalsContact N-OD1 3.13Å; T234-N238 PolarHBondContact OG1-OD1 3.4Å
235S91.1Very high94Very high50 Ų5036.3 Ų36.335%0.3521%0.21SC..SBendtrans-143.4170.417770.20000109.9R194 I237 N238 Q239R194-S235 WeakPolarHBondContact CD-O 3.37Å; S235-I237 VanDerWaalsContact C-N 3.32Å; S235-I237 PolarHBondContact O-N 2.92Å; S235-N238 PolarHBondContact O-N 3.29Å; S235-N238 WeakPolarHBondContact OG-CB 3.41Å; S235-N238 PolarHBondContact OG-N 3.29Å; S235-N238 VanDerWaalsContact OG-N 3.15Å; S235-Q239 WeakPolarHBondContact O-CB 3.49Å; S235-Q239 PolarHBondContact O-N 3.27Å
236T89.4Confident94Very high47 Ų4735.7 Ų35.729%0.28821%0.207SC..Hα-helixtrans-57.8-44.6176.1-47.50000111.8L202 N238 Q239 V240L202-T236 HydrophobicContact CB-CG2 4.23Å; L202-T236 HydrophobicContact CD2-CG2 4.03Å; L202-T236 WeakPolarHBondContact O-CG2 3.11Å; T236-N238 PolarHBondContact O-N 3.21Å; T236-Q239 WeakPolarHBondContact O-CB 3.28Å; T236-Q239 PolarHBondContact O-N 3.45Å; T236-V240 WeakPolarHBondContact O-CG2 3.46Å; T236-V240 PolarHBondContact O-N 3.03Å
237I90.3Very high94.1Very high44 Ų4434.5 Ų34.523%0.22620%0.201CC..Hα-helixtrans-63-42.3176.5-64.2-59.6000111.7S235 Q239 V240 E241 V266 M270S235-I237 VanDerWaalsContact C-N 3.32Å; S235-I237 PolarHBondContact O-N 2.92Å; I237-Q239 VanDerWaalsContact C-N 3.32Å; I237-V240 PolarHBondContact O-N 2.85Å; I237-E241 WeakPolarHBondContact O-CB 3.4Å; I237-E241 PolarHBondContact O-N 2.97Å; I237-V266 HydrophobicContact CD1-CG1 3.81Å; I237-V266 HydrophobicContact CD1-CG2 3.91Å; I237-M270 HydrophobicContact CG2-CE 3.65Å
238N92.5Very high94.1Very high35 Ų3537.3 Ų37.319%0.18721%0.211CC..Hα-helixtrans-73.1-24.7178.1-175.4-111.8000112.9T234 S235 T236 K242T234-N238 PolarHBondContact N-OD1 2.93Å; T234-N238 VanDerWaalsContact N-OD1 3.13Å; T234-N238 PolarHBondContact OG1-OD1 3.4Å; S235-N238 PolarHBondContact O-N 3.29Å; S235-N238 WeakPolarHBondContact OG-CB 3.41Å; S235-N238 PolarHBondContact OG-N 3.29Å; S235-N238 VanDerWaalsContact OG-N 3.15Å; T236-N238 PolarHBondContact O-N 3.21Å; N238-K242 WeakPolarHBondContact O-CG 3.47Å; N238-K242 PolarHBondContact O-N 2.9Å; N238-K242 VanDerWaalsContact O-N 3.12Å; N238-K242 WeakPolarHBondContact OD1-CE 3.5Å
239Q94.9Very high94Very high0 Ų034.6 Ų34.60%020%0.2CC..Hα-helixtrans-67.6-52.3170.8-171.867.532.200110.4R194 W195 L202 F231 S235 T236 I237 E241 K242 I243R194-Q239 HydrophobicContact CG-CB 4.31Å; R194-Q239 HydrophobicContact CG-CG 4.23Å; R194-Q239 VanDerWaalsContact O-CD 3.3Å; R194-Q239 PolarHBondContact O-NE2 3.21Å; W195-Q239 PolarHBondContact O-NE2 2.97Å; W195-Q239 VanDerWaalsContact O-NE2 3.16Å; L202-Q239 HydrophobicContact CD1-CB 4.21Å; L202-Q239 HydrophobicContact CD1-CG 3.44Å; L202-Q239 VanDerWaalsContact CD1-CG 3.44Å; L202-Q239 HydrophobicContact CD2-CB 4.25Å; L202-Q239 HydrophobicContact CD2-CG 3.89Å; L202-Q239 HydrophobicContact CG-CG 4.33Å; F231-Q239 PolarHBondContact O-NE2 3.49Å; F231-Q239 PolarHBondContact O-OE1 2.76Å; S235-Q239 WeakPolarHBondContact O-CB 3.49Å; S235-Q239 PolarHBondContact O-N 3.27Å; T236-Q239 WeakPolarHBondContact O-CB 3.28Å; T236-Q239 PolarHBondContact O-N 3.45Å; I237-Q239 VanDerWaalsContact C-N 3.32Å; Q239-E241 VanDerWaalsContact C-N 3.3Å; Q239-E241 PolarHBondContact O-N 3.45Å; Q239-K242 PolarHBondContact O-N 3.31Å; Q239-I243 HydrophobicContact CG-CD1 4.11Å; Q239-I243 WeakPolarHBondContact O-CG1 3.36Å; Q239-I243 PolarHBondContact O-N 3.43Å
240V93.4Very high93.8Very high6 Ų634.6 Ų34.64%0.03620%0.199CC..Hα-helixtrans-59.1-41.9176175.20000110.9L202 L203 T236 I237 K242 I243 M244 V266 M270L202-V240 HydrophobicContact CB-CG2 3.76Å; L202-V240 HydrophobicContact CD1-CG2 4.29Å; L203-V240 HydrophobicContact CD2-CG1 4.22Å; L203-V240 HydrophobicContact CD2-CG2 4.18Å; L203-V240 HydrophobicContact CG-CG2 4.48Å; T236-V240 WeakPolarHBondContact O-CG2 3.46Å; T236-V240 PolarHBondContact O-N 3.03Å; I237-V240 PolarHBondContact O-N 2.85Å; V240-K242 PolarHBondContact O-N 3.49Å; V240-I243 PolarHBondContact O-N 2.93Å; V240-M244 HydrophobicContact CG1-CG 3.97Å; V240-M244 WeakPolarHBondContact O-CB 3.29Å; V240-M244 WeakPolarHBondContact O-CG 3.32Å; V240-M244 PolarHBondContact O-N 3.32Å; V240-V266 HydrophobicContact CG1-CG1 4.08Å; V240-M270 HydrophobicContact CG1-CG 4.33Å
241E93.5Very high93.6Very high57 Ų5735.8 Ų35.827%0.26621%0.209SC..Hα-helixtrans-56-50.1174.4174169.5-179.300113.1I237 Q239 I243 M244 S245 M270 K273I237-E241 WeakPolarHBondContact O-CB 3.4Å; I237-E241 PolarHBondContact O-N 2.97Å; Q239-E241 VanDerWaalsContact C-N 3.3Å; Q239-E241 PolarHBondContact O-N 3.45Å; E241-I243 VanDerWaalsContact C-N 3.29Å; E241-I243 PolarHBondContact O-N 3.2Å; E241-M244 PolarHBondContact O-N 2.87Å; E241-S245 PolarHBondContact O-N 3.27Å; E241-S245 PolarHBondContact O-OG 3.17Å; E241-M270 HydrophobicContact CB-CE 4.07Å; E241-M270 HydrophobicContact CB-SD 3.82Å; E241-M270 HydrophobicContact CG-SD 4.21Å; E241-K273 HydrophobicContact CG-CD 4Å; E241-K273 IonicContact OE1-NZ 2.67Å; E241-K273 PolarHBondContact OE1-NZ 3.26Å; E241-K273 IonicContact OE2-NZ 2.88Å; E241-K273 PolarHBondContact OE2-NZ 3.22Å
242K95Very high93.3Very high69 Ų6940.5 Ų40.530%0.324%0.24SC..Hα-helixtrans-63.1-35.8178.8-77.4176.7176.4-62.10113F231 P232 N238 Q239 V240 S245F231-K242 HydrophobicContact CD1-CB 4.36Å; P232-K242 VanDerWaalsContact O-CE 3.3Å; P232-K242 WeakPolarHBondContact O-CE 3.28Å; N238-K242 WeakPolarHBondContact O-CG 3.47Å; N238-K242 PolarHBondContact O-N 2.9Å; N238-K242 VanDerWaalsContact O-N 3.12Å; N238-K242 WeakPolarHBondContact OD1-CE 3.5Å; Q239-K242 PolarHBondContact O-N 3.31Å; V240-K242 PolarHBondContact O-N 3.49Å; K242-S245 WeakPolarHBondContact CA-OG 3.11Å; K242-S245 PolarHBondContact O-OG 2.8Å
243I96.1Very high93.1Very high2 Ų243.9 Ų43.91%0.0125%0.251CS..Hα-helixtrans-67.2-54.2176.3-70.6169.4000109.9P199 L202 W215 F231 Q239 V240 E241 S245 A246 I247P199-I243 HydrophobicContact CG-CG2 4.29Å; L202-I243 HydrophobicContact CD1-CD1 3.55Å; W215-I243 HydrophobicContact CH2-CG1 4.48Å; W215-I243 HydrophobicContact CH2-CG2 3.51Å; W215-I243 HydrophobicContact CZ2-CB 4.45Å; W215-I243 HydrophobicContact CZ2-CD1 3.81Å; W215-I243 HydrophobicContact CZ2-CG1 3.88Å; W215-I243 HydrophobicContact CZ2-CG2 3.76Å; F231-I243 HydrophobicContact CB-CG1 4.33Å; F231-I243 HydrophobicContact CD1-CG1 4.37Å; F231-I243 HydrophobicContact CD2-CG1 3.78Å; F231-I243 HydrophobicContact CE2-CG1 4.12Å; F231-I243 HydrophobicContact CG-CG1 3.91Å; Q239-I243 HydrophobicContact CG-CD1 4.11Å; Q239-I243 WeakPolarHBondContact O-CG1 3.36Å; Q239-I243 PolarHBondContact O-N 3.43Å; V240-I243 PolarHBondContact O-N 2.93Å; E241-I243 VanDerWaalsContact C-N 3.29Å; E241-I243 PolarHBondContact O-N 3.2Å; I243-S245 VanDerWaalsContact C-N 3.26Å; I243-S245 PolarHBondContact O-N 3.08Å; I243-A246 PolarHBondContact O-N 3.41Å; I243-I247 HydrophobicContact CG2-CD1 3.73Å; I243-I247 HydrophobicContact CG2-CG1 4.29Å; I243-I247 PolarHBondContact O-N 3.08Å; I243-I247 VanDerWaalsContact O-N 3.09Å
244M94.6Very high93Very high2 Ų244.7 Ų44.71%0.0126%0.255CS..Hα-helixtrans-63.8-27.7-177.6-67.1-68.4-61.300113.2V240 E241 A246 P250 I267 M270 L271 Q275 F300V240-M244 HydrophobicContact CG1-CG 3.97Å; V240-M244 WeakPolarHBondContact O-CB 3.29Å; V240-M244 WeakPolarHBondContact O-CG 3.32Å; V240-M244 PolarHBondContact O-N 3.32Å; E241-M244 PolarHBondContact O-N 2.87Å; M244-A246 VanDerWaalsContact C-N 3.28Å; M244-A246 PolarHBondContact O-N 3.21Å; M244-P250 HydrophobicContact CE-CG 3.9Å; M244-P250 HydrophobicContact SD-CG 4.41Å; M244-I267 HydrophobicContact CE-CG2 3.98Å; M244-M270 HydrophobicContact CB-CB 3.8Å; M244-M270 HydrophobicContact CB-CG 4.5Å; M244-M270 HydrophobicContact CE-CB 4.47Å; M244-M270 HydrophobicContact CG-CB 3.9Å; M244-M270 HydrophobicContact CG-CG 4.35Å; M244-L271 HydrophobicContact CE-CD2 3.7Å; M244-L271 HydrophobicContact CE-CG 4.27Å; M244-Q275 PolarHBondContact O-NE2 2.64Å; M244-F300 HydrophobicContact SD-CD2 3.81Å; M244-F300 HydrophobicContact SD-CE2 3.62Å
245S94.4Very high92.8Very high32 Ų3241 Ų4122%0.22423%0.231CC..Hα-helixtrans-69.7-22.8171.3560000113.5E241 K242 I243 Q275 V276E241-S245 PolarHBondContact O-N 3.27Å; E241-S245 PolarHBondContact O-OG 3.17Å; K242-S245 WeakPolarHBondContact CA-OG 3.11Å; K242-S245 PolarHBondContact O-OG 2.8Å; I243-S245 VanDerWaalsContact C-N 3.26Å; I243-S245 PolarHBondContact O-N 3.08Å; S245-Q275 CarbonylContact O-C 3.48Å; S245-Q275 WeakPolarHBondContact O-CA 3.36Å; S245-Q275 WeakPolarHBondContact O-CB 3.33Å; S245-V276 CarbonylContact O-C 3.46Å; S245-V276 PolarHBondContact O-N 2.82Å
246A95.3Very high92.6Very high4 Ų445 Ų453%0.03325%0.247CC..Hα-helixtrans-104.8-37.8-170.200000114.7F231 I243 M244 V276 L278 L281F231-A246 HydrophobicContact CE1-CB 3.54Å; F231-A246 HydrophobicContact CZ-CB 4.01Å; I243-A246 PolarHBondContact O-N 3.41Å; M244-A246 VanDerWaalsContact C-N 3.28Å; M244-A246 PolarHBondContact O-N 3.21Å; A246-V276 WeakPolarHBondContact CA-O 3.48Å; A246-L278 HydrophobicContact CB-CD2 4.16Å; A246-L278 PolarHBondContact O-N 3.28Å; A246-L281 HydrophobicContact CB-CD1 3.56Å
247I95.3Very high92.4Very high2 Ų243.9 Ų43.91%0.0124%0.243CC..SBendtrans-89.6155.7-179.272.4178.2000110.7W215 I243 H249 Q275 L298 F300W215-I247 HydrophobicContact CH2-CD1 4.09Å; W215-I247 HydrophobicContact CH2-CG2 4.04Å; W215-I247 HydrophobicContact CZ3-CD1 4.21Å; W215-I247 HydrophobicContact CZ3-CG2 4.48Å; I243-I247 HydrophobicContact CG2-CD1 3.73Å; I243-I247 HydrophobicContact CG2-CG1 4.29Å; I243-I247 PolarHBondContact O-N 3.08Å; I243-I247 VanDerWaalsContact O-N 3.09Å; I247-H249 PolarHBondContact O-N 2.8Å; I247-Q275 PolarHBondContact O-NE2 3.5Å; I247-L298 HydrophobicContact CG2-CB 4.15Å; I247-L298 WeakPolarHBondContact CG2-O 3.33Å; I247-F300 HydrophobicContact CD1-CB 3.78Å; I247-F300 HydrophobicContact CD1-CD2 4.11Å; I247-F300 HydrophobicContact CD1-CG 4.47Å
248P93.3Very high92Very high104 Ų10441.9 Ų41.968%0.67523%0.233SC*.PPolyproline II helixtrans-53140.7173.2-26.235.3000112.1
249H91.8Very high91.4Very high77 Ų7747.1 Ų47.136%0.35625%0.254SS..PPolyproline II helixtrans-58.2128.9177.8-79.5173.6000111.2I247 L271 Q275I247-H249 PolarHBondContact O-N 2.8Å; H249-L271 HydrophobicContact CB-CD2 3.8Å; H249-L271 PolarHBondContact CE1-O 3.07Å; H249-L271 VanDerWaalsContact CG-CD2 3.48Å; H249-Q275 VanDerWaalsContact CD2-CD 3.47Å; H249-Q275 PolarHBondContact CD2-NE2 3.18Å
250P92.9Very high90.6Very high13 Ų1347.8 Ų47.88%0.08426%0.259CS..PPolyproline II helixtrans-66.7144.9179.726.9-34.9000112.1M244 D254 I255 I267 F300M244-P250 HydrophobicContact CE-CG 3.9Å; M244-P250 HydrophobicContact SD-CG 4.41Å; P250-D254 HydrophobicContact CB-CB 3.76Å; P250-I255 HydrophobicContact CB-CG1 4.19Å; P250-I255 HydrophobicContact CG-CD1 4.39Å; P250-I255 HydrophobicContact CG-CG1 4.07Å; P250-I267 HydrophobicContact CG-CG2 4.43Å; P250-F300 HydrophobicContact CB-CB 4Å; P250-F300 HydrophobicContact CB-CD1 3.38Å; P250-F300 HydrophobicContact CB-CD2 4.25Å; P250-F300 HydrophobicContact CB-CE1 3.77Å; P250-F300 HydrophobicContact CB-CG 3.63Å; P250-F300 HydrophobicContact CB-CZ 4.37Å; P250-F300 HydrophobicContact CG-CD1 3.9Å; P250-F300 HydrophobicContact CG-CD2 3.99Å; P250-F300 HydrophobicContact CG-CE1 3.95Å; P250-F300 HydrophobicContact CG-CE2 4.07Å; P250-F300 HydrophobicContact CG-CG 3.9Å; P250-F300 HydrophobicContact CG-CZ 4.03Å
251S92.4Very high89.7Confident42 Ų4256.7 Ų56.729%0.29430%0.3SS..PPolyproline II helixtrans-70.9164.7171.473.20000111.4E253 D254 I255S251-E253 PolarHBondContact O-N 3.45Å; S251-E253 PolarHBondContact OG-N 3.23Å; S251-D254 VanDerWaalsContact CB-OD2 3.31Å; S251-D254 WeakPolarHBondContact CB-OD2 3.19Å; S251-D254 PolarHBondContact N-OD2 3.34Å; S251-D254 WeakPolarHBondContact O-CB 3.28Å; S251-D254 PolarHBondContact O-N 3.04Å; S251-D254 PolarHBondContact OG-N 3.28Å; S251-D254 PolarHBondContact OG-OD2 3.22Å; S251-I255 WeakPolarHBondContact O-CG1 3.48Å; S251-I255 PolarHBondContact O-N 3.41Å; S251-I255 VanDerWaalsContact O-N 3.1Å
252P90.3Very high88.7Confident102 Ų10260.6 Ų60.666%0.66231%0.313SS*.Hα-helixtrans-56.2-33.3173.1-26.536.1000113.6I255 L256P252-I255 PolarHBondContact O-N 3.14Å; P252-L256 VanDerWaalsContact O-CG 3.3Å; P252-L256 WeakPolarHBondContact O-CG 3.35Å; P252-L256 PolarHBondContact O-N 2.95Å; P252-L256 VanDerWaalsContact O-N 3.1Å
253E91.3Very high87.8Confident123 Ų12357.4 Ų57.458%0.57530%0.3SS*.Hα-helixtrans-62.8-45.7173.3-179.7-169.2-119.900111.4S251 I255 L256 A257 K304S251-E253 PolarHBondContact O-N 3.45Å; S251-E253 PolarHBondContact OG-N 3.23Å; E253-I255 VanDerWaalsContact C-N 3.27Å; E253-I255 PolarHBondContact O-N 3.01Å; E253-L256 PolarHBondContact O-N 3.03Å; E253-L256 VanDerWaalsContact O-N 3.16Å; E253-A257 WeakPolarHBondContact O-CB 3.48Å; E253-A257 PolarHBondContact O-N 2.88Å; E253-K304 IonicContact OE2-NZ 2.8Å; E253-K304 PolarHBondContact OE2-NZ 3.34Å
254D92Very high86.9Confident18 Ų1859.4 Ų59.410%0.09631%0.314CS..Hα-helixtrans-64.9-32.2179.8-61.3-48.8000112.6P250 S251 F300 N301 K304P250-D254 HydrophobicContact CB-CB 3.76Å; S251-D254 VanDerWaalsContact CB-OD2 3.31Å; S251-D254 WeakPolarHBondContact CB-OD2 3.19Å; S251-D254 PolarHBondContact N-OD2 3.34Å; S251-D254 WeakPolarHBondContact O-CB 3.28Å; S251-D254 PolarHBondContact O-N 3.04Å; S251-D254 PolarHBondContact OG-N 3.28Å; S251-D254 PolarHBondContact OG-OD2 3.22Å; D254-F300 HydrophobicContact CB-CD1 4.09Å; D254-N301 HydrophobicContact CB-CB 3.92Å; D254-N301 WeakPolarHBondContact OD1-CB 3.45Å; D254-N301 PolarHBondContact OD1-ND2 3.38Å; D254-K304 WeakPolarHBondContact OD1-CD 3.45Å; D254-K304 VanDerWaalsContact OD1-CE 3.29Å; D254-K304 WeakPolarHBondContact OD1-CE 3.14Å; D254-K304 IonicContact OD1-NZ 2.67Å; D254-K304 PolarHBondContact OD1-NZ 2.92Å; D254-K304 IonicContact OD2-NZ 2.99Å
255I89.4Confident86.3Confident33 Ų3362.8 Ų62.817%0.16934%0.338CS..Hα-helixtrans-69.5-42.8174-63.9172000110.5P250 S251 P252 E253 I258 I267 L271 F300P250-I255 HydrophobicContact CB-CG1 4.19Å; P250-I255 HydrophobicContact CG-CD1 4.39Å; P250-I255 HydrophobicContact CG-CG1 4.07Å; S251-I255 WeakPolarHBondContact O-CG1 3.48Å; S251-I255 PolarHBondContact O-N 3.41Å; S251-I255 VanDerWaalsContact O-N 3.1Å; P252-I255 PolarHBondContact O-N 3.14Å; E253-I255 VanDerWaalsContact C-N 3.27Å; E253-I255 PolarHBondContact O-N 3.01Å; I255-I258 PolarHBondContact O-N 2.89Å; I255-I267 HydrophobicContact CD1-CG2 3.73Å; I255-I267 HydrophobicContact CG1-CD1 4.3Å; I255-I267 HydrophobicContact CG1-CG2 4.1Å; I255-I267 HydrophobicContact CG2-CD1 3.91Å; I255-L271 HydrophobicContact CD1-CD1 4.49Å; I255-F300 HydrophobicContact CG1-CE1 4.43Å
256L86.9Confident85.9Confident132 Ų13261.5 Ų61.569%0.69133%0.328SS*.Hα-helixtrans-66.5-37.3176.9-70168000112.3P252 E253 I258 K259P252-L256 VanDerWaalsContact O-CG 3.3Å; P252-L256 WeakPolarHBondContact O-CG 3.35Å; P252-L256 PolarHBondContact O-N 2.95Å; P252-L256 VanDerWaalsContact O-N 3.1Å; E253-L256 PolarHBondContact O-N 3.03Å; E253-L256 VanDerWaalsContact O-N 3.16Å; L256-I258 PolarHBondContact O-N 3.28Å; L256-K259 PolarHBondContact O-N 2.89Å
257A85.4Confident85.5Confident24 Ų2461.4 Ų61.420%0.19833%0.327CS..Hα-helixtrans-58.7-28.9179.400000113.7E253 K259E253-A257 WeakPolarHBondContact O-CB 3.48Å; E253-A257 PolarHBondContact O-N 2.88Å; A257-K259 VanDerWaalsContact C-N 3.3Å; A257-K259 PolarHBondContact O-N 3.43Å
258I82.1Confident85Confident3 Ų367.6 Ų67.62%0.01536%0.356CS..THydrogen-bonded Turntrans-71.4-19.2176.7-71-167.4000113P199 E200 L203 S205 I255 L256 S260 F300P199-I258 HydrophobicContact CB-CD1 4.21Å; E200-I258 HydrophobicContact CB-CD1 4.29Å; E200-I258 HydrophobicContact CB-CG1 4.32Å; E200-I258 HydrophobicContact CB-CG2 4.23Å; L203-I258 HydrophobicContact CB-CG2 4.39Å; L203-I258 HydrophobicContact CD1-CD1 3.86Å; L203-I258 HydrophobicContact CD1-CG2 4.34Å; S205-I258 VanDerWaalsContact CB-O 3.22Å; S205-I258 WeakPolarHBondContact CB-O 3.36Å; S205-I258 PolarHBondContact OG-O 3.36Å; I255-I258 PolarHBondContact O-N 2.89Å; L256-I258 PolarHBondContact O-N 3.28Å; I258-S260 PolarHBondContact O-N 3.04Å; I258-F300 HydrophobicContact CD1-CD1 3.92Å; I258-F300 HydrophobicContact CD1-CE1 3.26Å; I258-F300 HydrophobicContact CD1-CE2 4.19Å; I258-F300 HydrophobicContact CD1-CZ 3.42Å; I258-F300 VanDerWaalsContact CD1-CZ 3.42Å; I258-F300 HydrophobicContact CG1-CE1 4.02Å
259K80.4Confident84.6Confident144 Ų14469 Ų6963%0.62635%0.348SS*.  trans49.547.9178.8-58.2-175.7179.6-175.40114L256 A257L256-K259 PolarHBondContact O-N 2.89Å; A257-K259 VanDerWaalsContact C-N 3.3Å; A257-K259 PolarHBondContact O-N 3.43Å
260S78.1Confident84.4Confident15 Ų1565.5 Ų65.511%0.10533%0.332CS..  trans-124.5119.5175172.10000112.1L203 I258 Y262 G263L203-S260 WeakPolarHBondContact O-CB 3.26Å; L203-S260 PolarHBondContact O-OG 3.36Å; I258-S260 PolarHBondContact O-N 3.04Å; S260-Y262 PolarHBondContact OG-N 3.15Å; S260-G263 PolarHBondContact O-N 3.47Å; S260-G263 PolarHBondContact OG-N 2.9Å
261E73.4Confident84.2Confident192 Ų19267.5 Ų67.590%0.89734%0.342SS*.Hα-helixtrans-62.9-42.7174.5-59.5-175.8164.100111.7
262Y72.4Confident83.9Confident140 Ų14072.8 Ų72.855%0.54937%0.366SS..Hα-helixtrans-64.7-42.8177.1179.6-110000111.4S260 S264 S265 V266S260-Y262 PolarHBondContact OG-N 3.15Å; Y262-S264 PolarHBondContact O-N 3.17Å; Y262-S265 PolarHBondContact O-N 3.47Å; Y262-S265 PolarHBondContact O-OG 2.83Å; Y262-V266 HydrophobicContact CD1-CG2 4.18Å; Y262-V266 HydrophobicContact CE1-CG2 3.71Å; Y262-V266 HydrophobicContact CE2-CG2 4.37Å
263G75.4Confident83.7Confident1 Ų171.4 Ų71.41%0.0135%0.35CS..Hα-helixtrans-58.5-45.4-170.700000113.4S260 S265 V266 I267S260-G263 PolarHBondContact O-N 3.47Å; S260-G263 PolarHBondContact OG-N 2.9Å; G263-S265 VanDerWaalsContact C-N 3.28Å; G263-S265 PolarHBondContact O-N 3.48Å; G263-V266 WeakPolarHBondContact O-CA 3.39Å; G263-V266 WeakPolarHBondContact O-CB 3.4Å; G263-V266 PolarHBondContact O-N 2.94Å; G263-I267 WeakPolarHBondContact O-CD1 3.31Å; G263-I267 VanDerWaalsContact O-CG1 3.24Å; G263-I267 WeakPolarHBondContact O-CG1 3.11Å; G263-I267 PolarHBondContact O-N 3.36Å
264S79.1Confident83.5Confident45 Ų4571 Ų7132%0.31536%0.357SS..Hα-helixtrans-51.8-43.7-179.2-63.20000113.2Y262 V266 I267 Q268Y262-S264 PolarHBondContact O-N 3.17Å; S264-V266 PolarHBondContact O-N 2.9Å; S264-I267 PolarHBondContact O-N 3.27Å; S264-Q268 WeakPolarHBondContact O-CG 3.44Å; S264-Q268 PolarHBondContact O-N 2.99Å; S264-Q268 VanDerWaalsContact O-N 3.1Å
265S81.6Confident83.5Confident72 Ų7273.9 Ų73.950%0.50337%0.37SS..Hα-helixtrans-68-32.5178.7740000113.4Y262 G263Y262-S265 PolarHBondContact O-N 3.47Å; Y262-S265 PolarHBondContact O-OG 2.83Å; G263-S265 VanDerWaalsContact C-N 3.28Å; G263-S265 PolarHBondContact O-N 3.48Å
266V85.1Confident83.7Confident5 Ų575.4 Ų75.43%0.0338%0.381CS..Hα-helixtrans-74.5-45.7176.9179.20000110.1L203 I237 V240 Y262 G263 S264 R269 M270L203-V266 HydrophobicContact CD2-CB 4.24Å; L203-V266 HydrophobicContact CD2-CG1 4.32Å; I237-V266 HydrophobicContact CD1-CG1 3.81Å; I237-V266 HydrophobicContact CD1-CG2 3.91Å; V240-V266 HydrophobicContact CG1-CG1 4.08Å; Y262-V266 HydrophobicContact CD1-CG2 4.18Å; Y262-V266 HydrophobicContact CE1-CG2 3.71Å; Y262-V266 HydrophobicContact CE2-CG2 4.37Å; G263-V266 WeakPolarHBondContact O-CA 3.39Å; G263-V266 WeakPolarHBondContact O-CB 3.4Å; G263-V266 PolarHBondContact O-N 2.94Å; S264-V266 PolarHBondContact O-N 2.9Å; V266-R269 PolarHBondContact O-N 3.41Å; V266-M270 HydrophobicContact CG1-CE 4.11Å; V266-M270 WeakPolarHBondContact O-CG 3.23Å; V266-M270 PolarHBondContact O-N 2.92Å
267I86.3Confident83.9Confident2 Ų271.5 Ų71.51%0.0136%0.364CS..Hα-helixtrans-60.6-49.7-178.2-64.2156.5000110.7L203 M244 P250 I255 G263 S264 R269 M270 L271 F300L203-I267 HydrophobicContact CD1-CD1 4.02Å; L203-I267 HydrophobicContact CD1-CG1 4.22Å; L203-I267 HydrophobicContact CD2-CG1 4.26Å; M244-I267 HydrophobicContact CE-CG2 3.98Å; P250-I267 HydrophobicContact CG-CG2 4.43Å; I255-I267 HydrophobicContact CD1-CG2 3.73Å; I255-I267 HydrophobicContact CG1-CD1 4.3Å; I255-I267 HydrophobicContact CG1-CG2 4.1Å; I255-I267 HydrophobicContact CG2-CD1 3.91Å; G263-I267 WeakPolarHBondContact O-CD1 3.31Å; G263-I267 VanDerWaalsContact O-CG1 3.24Å; G263-I267 WeakPolarHBondContact O-CG1 3.11Å; G263-I267 PolarHBondContact O-N 3.36Å; S264-I267 PolarHBondContact O-N 3.27Å; I267-R269 PolarHBondContact O-N 3.42Å; I267-R269 VanDerWaalsContact O-N 3.13Å; I267-M270 WeakPolarHBondContact O-CA 3.3Å; I267-M270 PolarHBondContact O-N 2.65Å; I267-L271 HydrophobicContact CG2-CD1 4.07Å; I267-L271 HydrophobicContact CG2-CG 4.12Å; I267-L271 WeakPolarHBondContact O-CG 3.3Å; I267-L271 PolarHBondContact O-N 2.91Å; I267-F300 HydrophobicContact CD1-CZ 3.73Å; I267-F300 HydrophobicContact CG1-CZ 4.13Å
268Q85.3Confident84.3Confident133 Ų13370.5 Ų70.562%0.62136%0.355SS*.Hα-helixtrans-52.9-37.9178.8-76.6177.1-600112.8S264S264-Q268 WeakPolarHBondContact O-CG 3.44Å; S264-Q268 PolarHBondContact O-N 2.99Å; S264-Q268 VanDerWaalsContact O-N 3.1Å
269R86.1Confident84.8Confident133 Ų13374.3 Ų74.350%0.50237%0.373SS..Hα-helixtrans-74.7-24.3176.8-175177.758.9159.1-4.6113.6V266 I267V266-R269 PolarHBondContact O-N 3.41Å; I267-R269 PolarHBondContact O-N 3.42Å; I267-R269 VanDerWaalsContact O-N 3.13Å
270M87.5Confident85.3Confident4 Ų473.3 Ų73.32%0.0237%0.374CS..Hα-helixtrans-84.1-31.3176.3-58.6-46.5169.900112.8I237 V240 E241 M244 V266 I267 L272 K273I237-M270 HydrophobicContact CG2-CE 3.65Å; V240-M270 HydrophobicContact CG1-CG 4.33Å; E241-M270 HydrophobicContact CB-CE 4.07Å; E241-M270 HydrophobicContact CB-SD 3.82Å; E241-M270 HydrophobicContact CG-SD 4.21Å; M244-M270 HydrophobicContact CB-CB 3.8Å; M244-M270 HydrophobicContact CB-CG 4.5Å; M244-M270 HydrophobicContact CE-CB 4.47Å; M244-M270 HydrophobicContact CG-CB 3.9Å; M244-M270 HydrophobicContact CG-CG 4.35Å; V266-M270 HydrophobicContact CG1-CE 4.11Å; V266-M270 WeakPolarHBondContact O-CG 3.23Å; V266-M270 PolarHBondContact O-N 2.92Å; I267-M270 WeakPolarHBondContact O-CA 3.3Å; I267-M270 PolarHBondContact O-N 2.65Å; M270-L272 PolarHBondContact O-N 2.89Å; M270-L272 VanDerWaalsContact O-N 3.08Å; M270-K273 WeakPolarHBondContact O-CB 3.26Å; M270-K273 PolarHBondContact O-N 2.77Å; M270-K273 HydrophobicContact SD-CD 3.95Å
271L86.9Confident85.9Confident54 Ų5475.4 Ų75.428%0.28338%0.384SS..THydrogen-bonded Turntrans-60.8-15.5173.7-65.9175000113.7M244 H249 I255 I267M244-L271 HydrophobicContact CE-CD2 3.7Å; M244-L271 HydrophobicContact CE-CG 4.27Å; H249-L271 HydrophobicContact CB-CD2 3.8Å; H249-L271 PolarHBondContact CE1-O 3.07Å; H249-L271 VanDerWaalsContact CG-CD2 3.48Å; I255-L271 HydrophobicContact CD1-CD1 4.49Å; I267-L271 HydrophobicContact CG2-CD1 4.07Å; I267-L271 HydrophobicContact CG2-CG 4.12Å; I267-L271 WeakPolarHBondContact O-CG 3.3Å; I267-L271 PolarHBondContact O-N 2.91Å
272L86.2Confident86.7Confident153 Ų15367 Ų6780%0.80135%0.345SS*.THydrogen-bonded Turntrans-89.80.9175.4-60.2175.8000113.7M270M270-L272 PolarHBondContact O-N 2.89Å; M270-L272 VanDerWaalsContact O-N 3.08Å
273K86.9Confident87.1Confident74 Ų7465.7 Ų65.732%0.32234%0.344SS..SBendtrans-97.5149.4-178.8-65.2-168.3170.8-166.20111.2E241 M270E241-K273 HydrophobicContact CG-CD 4Å; E241-K273 IonicContact OE1-NZ 2.67Å; E241-K273 PolarHBondContact OE1-NZ 3.26Å; E241-K273 IonicContact OE2-NZ 2.88Å; E241-K273 PolarHBondContact OE2-NZ 3.22Å; M270-K273 WeakPolarHBondContact O-CB 3.26Å; M270-K273 PolarHBondContact O-N 2.77Å; M270-K273 HydrophobicContact SD-CD 3.95Å
274P86.9Confident87.5Confident114 Ų11472.5 Ų72.574%0.7439%0.388SS*.PPolyproline II helixtrans-63.3139.2174.727.6-34.9000110.6
275Q92.8Very high87.8Confident78 Ų7874.7 Ų74.736%0.36440%0.403SS..PPolyproline II helixtrans-87150.8173.3-57.3-154.8-80.200111.1M244 S245 I247 H249M244-Q275 PolarHBondContact O-NE2 2.64Å; S245-Q275 CarbonylContact O-C 3.48Å; S245-Q275 WeakPolarHBondContact O-CA 3.36Å; S245-Q275 WeakPolarHBondContact O-CB 3.33Å; I247-Q275 PolarHBondContact O-NE2 3.5Å; H249-Q275 VanDerWaalsContact CD2-CD 3.47Å; H249-Q275 PolarHBondContact CD2-NE2 3.18Å
276V92.4Very high88.3Confident66 Ų6672.5 Ų72.540%0.439%0.387SS..  trans-132.192.3167.8-176.60000105.3S245 A246 D280 L281S245-V276 CarbonylContact O-C 3.46Å; S245-V276 PolarHBondContact O-N 2.82Å; A246-V276 WeakPolarHBondContact CA-O 3.48Å; V276-D280 HydrophobicContact CG1-CB 3.91Å; V276-L281 HydrophobicContact CB-CD2 4.34Å; V276-L281 HydrophobicContact CG1-CD2 3.72Å; V276-L281 HydrophobicContact CG1-CG 4.06Å
277P92.5Very high88.8Confident50 Ų5073.7 Ų73.733%0.32540%0.395SS..  trans-51.4157.8-173.9-30.236000114.6E279 D280 L281P277-E279 WeakPolarHBondContact CB-OE2 3.35Å; P277-E279 PolarHBondContact O-N 2.78Å; P277-E279 VanDerWaalsContact O-N 3.12Å; P277-D280 PolarHBondContact O-N 2.99Å; P277-L281 WeakPolarHBondContact O-CG 3.33Å; P277-L281 PolarHBondContact O-N 2.78Å; P277-L281 VanDerWaalsContact O-N 3.09Å
278L92.9Very high89.2Confident3 Ų378.7 Ų78.72%0.01643%0.427CS..Hα-helixtrans-52.4-34.7176.2-72.5171.4000112.5L230 F231 A246 L281 L282 L291 L294 K295 L298L230-L278 HydrophobicContact CD1-CD2 4.45Å; L230-L278 HydrophobicContact CD2-CD2 4.18Å; F231-L278 HydrophobicContact CZ-CD2 4.21Å; A246-L278 HydrophobicContact CB-CD2 4.16Å; A246-L278 PolarHBondContact O-N 3.28Å; L278-L281 PolarHBondContact O-N 3.02Å; L278-L282 WeakPolarHBondContact O-CB 3.14Å; L278-L282 WeakPolarHBondContact O-CD1 3.47Å; L278-L282 WeakPolarHBondContact O-CG 3.41Å; L278-L282 PolarHBondContact O-N 3.01Å; L278-L282 VanDerWaalsContact O-N 3.17Å; L278-L291 HydrophobicContact CB-CD1 4.45Å; L278-L294 HydrophobicContact CD1-CG 4.44Å; L278-L294 HydrophobicContact CD2-CD2 4.44Å; L278-K295 HydrophobicContact CD1-CG 4.36Å; L278-L298 HydrophobicContact CD1-CB 4.37Å; L278-L298 HydrophobicContact CD1-CD1 4.1Å; L278-L298 HydrophobicContact CD2-CD1 3.96Å
279E92.1Very high89.8Confident83 Ų8374.3 Ų74.339%0.38841%0.408SS..Hα-helixtrans-57.1-49.5173.5-65.493.414200112.9P277 L281 L282 L291 K295P277-E279 WeakPolarHBondContact CB-OE2 3.35Å; P277-E279 PolarHBondContact O-N 2.78Å; P277-E279 VanDerWaalsContact O-N 3.12Å; E279-L281 VanDerWaalsContact C-N 3.32Å; E279-L282 PolarHBondContact O-N 3.14Å; E279-L291 HydrophobicContact CG-CD1 4.14Å; E279-L291 HydrophobicContact CG-CD2 3.75Å; E279-K295 WeakPolarHBondContact OE1-CE 2.86Å; E279-K295 IonicContact OE1-NZ 2.61Å; E279-K295 PolarHBondContact OE1-NZ 2.72Å
280D91.8Very high90.4Very high122 Ų12268 Ų6865%0.65238%0.384SS*.Hα-helixtrans-75.6-22.5-178-66-18.5000112.4V276 P277V276-D280 HydrophobicContact CG1-CB 3.91Å; P277-D280 PolarHBondContact O-N 2.99Å
281L90.9Very high90.8Very high60 Ų6069.4 Ų69.431%0.31439%0.392SS..Hα-helixtrans-78.2-21172.6-66.3177.3000113.1L226 A246 V276 P277 L278 E279L226-L281 WeakPolarHBondContact CD1-O 3.48Å; A246-L281 HydrophobicContact CB-CD1 3.56Å; V276-L281 HydrophobicContact CB-CD2 4.34Å; V276-L281 HydrophobicContact CG1-CD2 3.72Å; V276-L281 HydrophobicContact CG1-CG 4.06Å; P277-L281 WeakPolarHBondContact O-CG 3.33Å; P277-L281 PolarHBondContact O-N 2.78Å; P277-L281 VanDerWaalsContact O-N 3.09Å; L278-L281 PolarHBondContact O-N 3.02Å; E279-L281 VanDerWaalsContact C-N 3.32Å
282L90Very high91.4Very high16 Ų1671.3 Ų71.38%0.08440%0.402CS..SBendtrans-98.8172.3-177.7-72.8172.2000111.8L225 L226 L278 E279 V286 L291 L294L225-L282 HydrophobicContact CB-CD2 3.94Å; L226-L282 HydrophobicContact CB-CD2 4.15Å; L278-L282 WeakPolarHBondContact O-CB 3.14Å; L278-L282 WeakPolarHBondContact O-CD1 3.47Å; L278-L282 WeakPolarHBondContact O-CG 3.41Å; L278-L282 PolarHBondContact O-N 3.01Å; L278-L282 VanDerWaalsContact O-N 3.17Å; E279-L282 PolarHBondContact O-N 3.14Å; L282-V286 HydrophobicContact CB-CG2 4.17Å; L282-V286 HydrophobicContact CD1-CG1 4.48Å; L282-V286 HydrophobicContact CD2-CG2 4.38Å; L282-L291 HydrophobicContact CD1-CD1 4.1Å; L282-L294 HydrophobicContact CD1-CD2 3.69Å
283Q81.3Confident92Very high111 Ų11164 Ų6452%0.51936%0.364SS..  trans-87.3143.8175.2-62.9-174.17.100110.2S285 V286Q283-S285 VanDerWaalsContact CB-OG 3.27Å; Q283-S285 WeakPolarHBondContact CB-OG 3.33Å; Q283-S285 PolarHBondContact O-N 2.66Å; Q283-S285 PolarHBondContact OE1-OG 2.8Å; Q283-V286 WeakPolarHBondContact O-CB 3.36Å; Q283-V286 WeakPolarHBondContact O-CG2 3.06Å; Q283-V286 PolarHBondContact O-N 2.85Å
284P81.9Confident92.5Very high145 Ų14560.5 Ų60.594%0.94235%0.349SS*.THydrogen-bonded Turntrans-59.2-6.8172.4-26.235.4000115.4
285S85.9Confident93Very high91 Ų9159 Ų5964%0.63633%0.331SS*.THydrogen-bonded Turntrans-86.2-3.1173.554.80000114.2Q283Q283-S285 VanDerWaalsContact CB-OG 3.27Å; Q283-S285 WeakPolarHBondContact CB-OG 3.33Å; Q283-S285 PolarHBondContact O-N 2.66Å; Q283-S285 PolarHBondContact OE1-OG 2.8Å
286V92.6Very high93.3Very high26 Ų2656.2 Ų56.216%0.15832%0.323CS..SBendtrans-71.3130.3177.1168.50000110.3L225 L282 Q283 A290 L291L225-V286 HydrophobicContact CB-CG2 4.23Å; L225-V286 HydrophobicContact CD1-CG1 4.04Å; L225-V286 HydrophobicContact CD2-CG1 4.14Å; L225-V286 HydrophobicContact CD2-CG2 4.29Å; L282-V286 HydrophobicContact CB-CG2 4.17Å; L282-V286 HydrophobicContact CD1-CG1 4.48Å; L282-V286 HydrophobicContact CD2-CG2 4.38Å; Q283-V286 WeakPolarHBondContact O-CB 3.36Å; Q283-V286 WeakPolarHBondContact O-CG2 3.06Å; Q283-V286 PolarHBondContact O-N 2.85Å; V286-A290 HydrophobicContact CG1-CB 4.08Å; V286-L291 HydrophobicContact CG1-CB 4.42Å
287P94.9Very high93.6Very high29 Ų2953 Ų5319%0.18830%0.304CS..  trans-59.3137.8176.1-24.834.4000112.4D289 A290 L291P287-D289 WeakPolarHBondContact CB-OD1 3.48Å; P287-D289 PolarHBondContact O-N 2.69Å; P287-A290 HydrophobicContact CB-CB 4.11Å; P287-A290 HydrophobicContact CG-CB 4.42Å; P287-A290 VanDerWaalsContact O-CB 3.27Å; P287-A290 WeakPolarHBondContact O-CB 3.38Å; P287-A290 PolarHBondContact O-N 2.9Å; P287-L291 PolarHBondContact O-N 2.97Å
288P96.1Very high93.8Very high108 Ų10850.8 Ų50.870%0.70129%0.289SS*.Hα-helixtrans-56.9-35.9-179.6-27.835.6000113.8A290 L291 D292P288-A290 VanDerWaalsContact C-N 3.32Å; P288-A290 PolarHBondContact O-N 2.88Å; P288-L291 PolarHBondContact O-N 3.38Å; P288-D292 WeakPolarHBondContact O-CB 3.44Å; P288-D292 PolarHBondContact O-N 3.38Å
289D97.6Very high94.1Very high40 Ų4052.5 Ų52.521%0.21430%0.299CS..Hα-helixtrans-73.7-21.3177.765.6-27000113.6R128 P287 L293 H314 Y316R128-D289 IonicContact CZ-OD1 3.46Å; R128-D289 IonicContact CZ-OD2 2.7Å; R128-D289 VanDerWaalsContact CZ-OD2 3.32Å; R128-D289 IonicContact NH1-OD1 3.36Å; R128-D289 IonicContact NH1-OD2 3.14Å; R128-D289 PolarHBondContact NH1-OD2 3.24Å; R128-D289 IonicContact NH2-OD1 2.73Å; R128-D289 PolarHBondContact NH2-OD1 2.78Å; R128-D289 IonicContact NH2-OD2 2.87Å; R128-D289 PolarHBondContact NH2-OD2 3.2Å; R128-D289 VanDerWaalsContact NH2-OD2 3.11Å; P287-D289 WeakPolarHBondContact CB-OD1 3.48Å; P287-D289 PolarHBondContact O-N 2.69Å; D289-L293 WeakPolarHBondContact O-CB 3.05Å; D289-L293 PolarHBondContact O-N 2.71Å; D289-H314 PolarHBondContact O-CE1 3.17Å; D289-Y316 WeakPolarHBondContact OD2-CA 3.42Å
290A97.8Very high94.2Very high0 Ų049 Ų490%028%0.283CS..Hα-helixtrans-73.9-40.3169.600000111.5L225 V286 P287 P288 L294 Y316L225-A290 HydrophobicContact CD1-CB 4.12Å; L225-A290 HydrophobicContact CD2-CB 4.12Å; V286-A290 HydrophobicContact CG1-CB 4.08Å; P287-A290 HydrophobicContact CB-CB 4.11Å; P287-A290 HydrophobicContact CG-CB 4.42Å; P287-A290 VanDerWaalsContact O-CB 3.27Å; P287-A290 WeakPolarHBondContact O-CB 3.38Å; P287-A290 PolarHBondContact O-N 2.9Å; P288-A290 VanDerWaalsContact C-N 3.32Å; P288-A290 PolarHBondContact O-N 2.88Å; A290-L294 WeakPolarHBondContact O-CB 3.45Å; A290-L294 PolarHBondContact O-N 2.83Å; A290-Y316 HydrophobicContact CB-CD2 3.71Å; A290-Y316 HydrophobicContact CB-CE2 3.33Å
291L97.2Very high94.4Very high34 Ų3443.5 Ų43.518%0.17825%0.253CS..Hα-helixtrans-67.6-40.7175.8172.666.3000111.6L278 E279 L282 V286 P287 P288 L294 K295L278-L291 HydrophobicContact CB-CD1 4.45Å; E279-L291 HydrophobicContact CG-CD1 4.14Å; E279-L291 HydrophobicContact CG-CD2 3.75Å; L282-L291 HydrophobicContact CD1-CD1 4.1Å; V286-L291 HydrophobicContact CG1-CB 4.42Å; P287-L291 PolarHBondContact O-N 2.97Å; P288-L291 PolarHBondContact O-N 3.38Å; L291-L294 WeakPolarHBondContact O-CB 3.15Å; L291-L294 PolarHBondContact O-N 3.36Å; L291-K295 HydrophobicContact CG-CD 4.47Å; L291-K295 WeakPolarHBondContact O-CG 3.39Å; L291-K295 PolarHBondContact O-N 2.7Å
292D98.1Very high94.6Very high95 Ų9541 Ų4151%0.50824%0.241SC..Hα-helixtrans-62.3-48.6177.5-163.544.9000111.5P288 L294 K295 G296 H314P288-D292 WeakPolarHBondContact O-CB 3.44Å; P288-D292 PolarHBondContact O-N 3.38Å; D292-L294 VanDerWaalsContact C-N 3.31Å; D292-L294 PolarHBondContact O-N 2.69Å; D292-K295 PolarHBondContact O-N 2.98Å; D292-G296 PolarHBondContact O-N 2.87Å; D292-H314 IonicContact OD2-NE2 3.5Å
293L98.6Very high94.8Very high0 Ų044.2 Ų44.20%026%0.258CS..Hα-helixtrans-56.4-45.3171.9179.558.1000111.8F135 L221 D289 K295 G296 L297 L306 A311 H314 Y316F135-L293 HydrophobicContact CE2-CD1 4.23Å; F135-L293 HydrophobicContact CE2-CD2 3.85Å; F135-L293 HydrophobicContact CZ-CD1 3.94Å; F135-L293 HydrophobicContact CZ-CD2 3.86Å; F135-L293 HydrophobicContact CZ-CG 4.28Å; L221-L293 HydrophobicContact CD2-CB 4.22Å; L221-L293 HydrophobicContact CD2-CD2 3.72Å; L221-L293 HydrophobicContact CD2-CG 3.84Å; D289-L293 WeakPolarHBondContact O-CB 3.05Å; D289-L293 PolarHBondContact O-N 2.71Å; L293-K295 VanDerWaalsContact C-N 3.31Å; L293-K295 PolarHBondContact O-N 3.46Å; L293-G296 PolarHBondContact O-N 3.38Å; L293-L297 HydrophobicContact CD1-CD1 4.01Å; L293-L297 HydrophobicContact CD1-CG 4.2Å; L293-L297 HydrophobicContact CG-CD1 3.92Å; L293-L297 VanDerWaalsContact O-CG 3.29Å; L293-L297 WeakPolarHBondContact O-CG 3.39Å; L293-L297 PolarHBondContact O-N 2.93Å; L293-L306 HydrophobicContact CD1-CD1 3.95Å; L293-A311 HydrophobicContact CD1-CB 4.43Å; L293-H314 HydrophobicContact CD1-CB 4.23Å; L293-H314 PolarHBondContact N-CE1 3.34Å; L293-Y316 HydrophobicContact CD2-CD1 3.42Å; L293-Y316 VanDerWaalsContact CD2-CD1 3.42Å; L293-Y316 HydrophobicContact CD2-CE1 4.32Å; L293-Y316 HydrophobicContact CD2-CG 3.94Å
294L98.1Very high95.5Very high0 Ų043.3 Ų43.30%025%0.252CS..Hα-helixtrans-61.3-39.9-179.5-17567.6000111.9G218 L221 L278 L282 A290 L291 D292 L297 L298G218-L294 WeakPolarHBondContact O-CD1 3.27Å; L221-L294 HydrophobicContact CB-CD1 4.23Å; L221-L294 HydrophobicContact CD2-CB 4.19Å; L221-L294 HydrophobicContact CD2-CD1 4.35Å; L221-L294 HydrophobicContact CG-CD1 4.25Å; L278-L294 HydrophobicContact CD1-CG 4.44Å; L278-L294 HydrophobicContact CD2-CD2 4.44Å; L282-L294 HydrophobicContact CD1-CD2 3.69Å; A290-L294 WeakPolarHBondContact O-CB 3.45Å; A290-L294 PolarHBondContact O-N 2.83Å; L291-L294 WeakPolarHBondContact O-CB 3.15Å; L291-L294 PolarHBondContact O-N 3.36Å; D292-L294 VanDerWaalsContact C-N 3.31Å; D292-L294 PolarHBondContact O-N 2.69Å; L294-L297 PolarHBondContact O-N 3.31Å; L294-L298 HydrophobicContact CD1-CD1 3.62Å; L294-L298 HydrophobicContact CD1-CG 4.09Å; L294-L298 HydrophobicContact CG-CD1 3.89Å; L294-L298 HydrophobicContact CG-CG 4.46Å; L294-L298 WeakPolarHBondContact O-CB 3.47Å; L294-L298 WeakPolarHBondContact O-CG 3.46Å; L294-L298 PolarHBondContact O-N 3.01Å
295K97.8Very high96.3Very high82 Ų8237 Ų3736%0.35721%0.21SC..Hα-helixtrans-65.1-42.8174.4-72.8172.3175.6-175.50112L278 E279 L291 D292 L293 L297 L298 V299L278-K295 HydrophobicContact CD1-CG 4.36Å; E279-K295 WeakPolarHBondContact OE1-CE 2.86Å; E279-K295 IonicContact OE1-NZ 2.61Å; E279-K295 PolarHBondContact OE1-NZ 2.72Å; L291-K295 HydrophobicContact CG-CD 4.47Å; L291-K295 WeakPolarHBondContact O-CG 3.39Å; L291-K295 PolarHBondContact O-N 2.7Å; D292-K295 PolarHBondContact O-N 2.98Å; L293-K295 VanDerWaalsContact C-N 3.31Å; L293-K295 PolarHBondContact O-N 3.46Å; K295-L297 PolarHBondContact O-N 3.19Å; K295-L298 PolarHBondContact O-N 3.43Å; K295-V299 VanDerWaalsContact O-CG2 3.32Å; K295-V299 WeakPolarHBondContact O-CG2 3.31Å
296G98.3Very high96.9Very high19 Ų1934.6 Ų34.620%0.19619%0.189CC..Hα-helixtrans-65.8-23176.500000114.4D292 L293 R305 L306D292-G296 PolarHBondContact O-N 2.87Å; L293-G296 PolarHBondContact O-N 3.38Å; G296-R305 WeakPolarHBondContact O-CA 3.32Å; G296-L306 PolarHBondContact O-N 3.49Å
297L98.6Very high97.2Very high0 Ų036.7 Ų36.70%020%0.202CC..Hα-helixtrans-88.9-39.5174.6-65.2169.5000112.8F135 M214 L221 L293 L294 K295 V299 R305 L306F135-L297 HydrophobicContact CE1-CD1 4.13Å; F135-L297 HydrophobicContact CE1-CD2 4.1Å; F135-L297 HydrophobicContact CZ-CD1 3.99Å; M214-L297 HydrophobicContact CB-CD2 4.24Å; M214-L297 HydrophobicContact CE-CD2 3.53Å; L221-L297 HydrophobicContact CD2-CD1 4.38Å; L293-L297 HydrophobicContact CD1-CD1 4.01Å; L293-L297 HydrophobicContact CD1-CG 4.2Å; L293-L297 HydrophobicContact CG-CD1 3.92Å; L293-L297 VanDerWaalsContact O-CG 3.29Å; L293-L297 WeakPolarHBondContact O-CG 3.39Å; L293-L297 PolarHBondContact O-N 2.93Å; L294-L297 PolarHBondContact O-N 3.31Å; K295-L297 PolarHBondContact O-N 3.19Å; L297-V299 VanDerWaalsContact C-N 3.27Å; L297-V299 PolarHBondContact O-N 2.94Å; L297-R305 WeakPolarHBondContact O-CD 3.39Å; L297-L306 HydrophobicContact CD2-CB 4.43Å
298L98.4Very high97.3Very high2 Ų235.4 Ų35.41%0.0120%0.195CC..SBendtrans-90.743-175.9-62.5-177.3000113.3W215 L230 F231 I247 L278 L294 K295W215-L298 HydrophobicContact CD2-CD2 3.83Å; W215-L298 HydrophobicContact CE3-CB 4.46Å; W215-L298 HydrophobicContact CE3-CD2 3.87Å; W215-L298 HydrophobicContact CG-CD2 4.43Å; W215-L298 HydrophobicContact CH2-CB 4.25Å; W215-L298 HydrophobicContact CH2-CD2 3.94Å; W215-L298 HydrophobicContact CZ2-CD2 3.93Å; W215-L298 VanDerWaalsContact CZ3-C 3.48Å; W215-L298 HydrophobicContact CZ3-CB 3.98Å; W215-L298 HydrophobicContact CZ3-CD2 3.95Å; L230-L298 HydrophobicContact CD2-CD1 3.51Å; F231-L298 HydrophobicContact CE2-CD1 4.06Å; F231-L298 HydrophobicContact CE2-CD2 4.37Å; F231-L298 HydrophobicContact CZ-CD1 4.17Å; I247-L298 HydrophobicContact CG2-CB 4.15Å; I247-L298 WeakPolarHBondContact CG2-O 3.33Å; L278-L298 HydrophobicContact CD1-CB 4.37Å; L278-L298 HydrophobicContact CD1-CD1 4.1Å; L278-L298 HydrophobicContact CD2-CD1 3.96Å; L294-L298 HydrophobicContact CD1-CD1 3.62Å; L294-L298 HydrophobicContact CD1-CG 4.09Å; L294-L298 HydrophobicContact CG-CD1 3.89Å; L294-L298 HydrophobicContact CG-CG 4.46Å; L294-L298 WeakPolarHBondContact O-CB 3.47Å; L294-L298 WeakPolarHBondContact O-CG 3.46Å; L294-L298 PolarHBondContact O-N 3.01Å; K295-L298 PolarHBondContact O-N 3.43Å
299V97.4Very high97.4Very high40 Ų4034.8 Ų34.824%0.24218%0.182CC..  trans-82.9137.5172.7-173.30000110.1K295 L297 K304 R305K295-V299 VanDerWaalsContact O-CG2 3.32Å; K295-V299 WeakPolarHBondContact O-CG2 3.31Å; L297-V299 VanDerWaalsContact C-N 3.27Å; L297-V299 PolarHBondContact O-N 2.94Å; V299-K304 HydrophobicContact CG1-CB 3.78Å; V299-R305 HydrophobicContact CB-CG 3.86Å; V299-R305 PolarHBondContact O-NE 3.18Å; V299-R305 PolarHBondContact O-NH2 3.46Å
300F95.8Very high97.5Very high8 Ų837.9 Ų37.94%0.03520%0.195CC..SBendtrans-59.8-51.5-178.8-179.3-92.2000112.3P199 L203 M244 I247 P250 D254 I255 I258 I267 R305P199-F300 HydrophobicContact CB-CD2 4.05Å; P199-F300 HydrophobicContact CB-CE2 4.01Å; P199-F300 HydrophobicContact CG-CD2 4.19Å; L203-F300 HydrophobicContact CD1-CE2 4.21Å; L203-F300 HydrophobicContact CD1-CZ 3.99Å; M244-F300 HydrophobicContact SD-CD2 3.81Å; M244-F300 HydrophobicContact SD-CE2 3.62Å; I247-F300 HydrophobicContact CD1-CB 3.78Å; I247-F300 HydrophobicContact CD1-CD2 4.11Å; I247-F300 HydrophobicContact CD1-CG 4.47Å; P250-F300 HydrophobicContact CB-CB 4Å; P250-F300 HydrophobicContact CB-CD1 3.38Å; P250-F300 HydrophobicContact CB-CD2 4.25Å; P250-F300 HydrophobicContact CB-CE1 3.77Å; P250-F300 HydrophobicContact CB-CG 3.63Å; P250-F300 HydrophobicContact CB-CZ 4.37Å; P250-F300 HydrophobicContact CG-CD1 3.9Å; P250-F300 HydrophobicContact CG-CD2 3.99Å; P250-F300 HydrophobicContact CG-CE1 3.95Å; P250-F300 HydrophobicContact CG-CE2 4.07Å; P250-F300 HydrophobicContact CG-CG 3.9Å; P250-F300 HydrophobicContact CG-CZ 4.03Å; D254-F300 HydrophobicContact CB-CD1 4.09Å; I255-F300 HydrophobicContact CG1-CE1 4.43Å; I258-F300 HydrophobicContact CD1-CD1 3.92Å; I258-F300 HydrophobicContact CD1-CE1 3.26Å; I258-F300 HydrophobicContact CD1-CE2 4.19Å; I258-F300 HydrophobicContact CD1-CZ 3.42Å; I258-F300 VanDerWaalsContact CD1-CZ 3.42Å; I258-F300 HydrophobicContact CG1-CE1 4.02Å; I267-F300 HydrophobicContact CD1-CZ 3.73Å; I267-F300 HydrophobicContact CG1-CZ 4.13Å; F300-R305 PolarHBondContact O-NH2 3.3Å
301N94.9Very high97.5Very high7 Ų737.9 Ų37.94%0.03720%0.195CC..SBendtrans-73.5123.3178-178.5-18.2000110.5D254 D303 K304D254-N301 HydrophobicContact CB-CB 3.92Å; D254-N301 WeakPolarHBondContact OD1-CB 3.45Å; D254-N301 PolarHBondContact OD1-ND2 3.38Å; N301-D303 VanDerWaalsContact C-N 3.26Å; N301-D303 PolarHBondContact O-N 3.42Å; N301-D303 PolarHBondContact OD1-N 3.02Å; N301-K304 HydrophobicContact CB-CB 4.25Å; N301-K304 HydrophobicContact CB-CD 4.18Å; N301-K304 HydrophobicContact CB-CG 4.23Å; N301-K304 PolarHBondContact O-N 3.04Å
302P94.6Very high97.6Very high7 Ų736.2 Ų36.25%0.04519%0.187CC..G310 helixtrans-63.5-27.5-177.326.1-35.1000114K304P302-K304 VanDerWaalsContact C-N 3.29Å; P302-K304 PolarHBondContact O-N 2.91Å
303D94.3Very high97.6Very high84 Ų8436.9 Ų36.945%0.44919%0.186SC..G310 helixtrans-81.3-10.1-179.6-55.5-52.8000113.2R207 N301R207-D303 IonicContact CZ-OD1 2.72Å; R207-D303 IonicContact CZ-OD2 2.73Å; R207-D303 VanDerWaalsContact NH1-CG 3.33Å; R207-D303 IonicContact NH1-OD1 3.42Å; R207-D303 PolarHBondContact NH1-OD1 3.19Å; R207-D303 VanDerWaalsContact NH1-OD1 3.17Å; R207-D303 IonicContact NH1-OD2 3.58Å; R207-D303 PolarHBondContact NH1-OD2 2.96Å; R207-D303 IonicContact NH2-OD1 3.53Å; R207-D303 PolarHBondContact NH2-OD1 3.35Å; R207-D303 IonicContact NH2-OD2 3.54Å; R207-D303 PolarHBondContact NH2-OD2 3.27Å; N301-D303 VanDerWaalsContact C-N 3.26Å; N301-D303 PolarHBondContact O-N 3.42Å; N301-D303 PolarHBondContact OD1-N 3.02Å
304K96.9Very high97.6Very high93 Ų9337.8 Ų37.840%0.40419%0.191SC..G310 helixtrans-104.35.9177.6-63.9-178-177169.20113E253 D254 V299 N301 P302E253-K304 IonicContact OE2-NZ 2.8Å; E253-K304 PolarHBondContact OE2-NZ 3.34Å; D254-K304 WeakPolarHBondContact OD1-CD 3.45Å; D254-K304 VanDerWaalsContact OD1-CE 3.29Å; D254-K304 WeakPolarHBondContact OD1-CE 3.14Å; D254-K304 IonicContact OD1-NZ 2.67Å; D254-K304 PolarHBondContact OD1-NZ 2.92Å; D254-K304 IonicContact OD2-NZ 2.99Å; V299-K304 HydrophobicContact CG1-CB 3.78Å; N301-K304 HydrophobicContact CB-CB 4.25Å; N301-K304 HydrophobicContact CB-CD 4.18Å; N301-K304 HydrophobicContact CB-CG 4.23Å; N301-K304 PolarHBondContact O-N 3.04Å; P302-K304 VanDerWaalsContact C-N 3.29Å; P302-K304 PolarHBondContact O-N 2.91Å
305R97.9Very high97.6Very high12 Ų1241.3 Ų41.35%0.04521%0.214CC..SBendtrans-80.5150.1172-64.2175.9-165.2143.117.2110.2E200 G211 G296 L297 V299 F300 T307E200-R305 IonicContact OE1-CZ 3.09Å; E200-R305 IonicContact OE1-NH1 3.86Å; E200-R305 PolarHBondContact OE1-NH1 3.2Å; E200-R305 IonicContact OE1-NH2 3.73Å; E200-R305 IonicContact OE2-CZ 3.54Å; E200-R305 IonicContact OE2-NH1 2.77Å; E200-R305 PolarHBondContact OE2-NH1 3.44Å; E200-R305 IonicContact OE2-NH2 3.95Å; E200-R305 PolarHBondContact OE2-NH2 2.93Å; G211-R305 VanDerWaalsContact C-NH1 3.27Å; G211-R305 WeakPolarHBondContact O-CD 3.43Å; G211-R305 PolarHBondContact O-NH1 3.13Å; G296-R305 WeakPolarHBondContact O-CA 3.32Å; L297-R305 WeakPolarHBondContact O-CD 3.39Å; V299-R305 HydrophobicContact CB-CG 3.86Å; V299-R305 PolarHBondContact O-NE 3.18Å; V299-R305 PolarHBondContact O-NH2 3.46Å; F300-R305 PolarHBondContact O-NH2 3.3Å; R305-T307 PolarHBondContact O-N 3.34Å
306L98.6Very high97.7Very high40 Ų4037.5 Ų37.521%0.20920%0.197CC..PPolyproline II helixtrans-56.7132.9167.8-68.8170.9000110.2M214 L293 G296 L297 Q310M214-L306 WeakPolarHBondContact CE-O 3.03Å; M214-L306 WeakPolarHBondContact CG-O 3.36Å; L293-L306 HydrophobicContact CD1-CD1 3.95Å; G296-L306 PolarHBondContact O-N 3.49Å; L297-L306 HydrophobicContact CD2-CB 4.43Å; L306-Q310 HydrophobicContact CB-CB 4.49Å; L306-Q310 HydrophobicContact CD2-CB 4.02Å
307T98.7Very high97.7Very high70 Ų7036.6 Ų36.643%0.42919%0.188SC..PPolyproline II helixtrans-72.2162.1168.172.90000110.7R305 E309 Q310 A311R305-T307 PolarHBondContact O-N 3.34Å; T307-E309 PolarHBondContact O-N 2.95Å; T307-Q310 PolarHBondContact O-N 3.44Å; T307-Q310 WeakPolarHBondContact OG1-CG 3.48Å; T307-Q310 PolarHBondContact OG1-N 2.93Å; T307-Q310 VanDerWaalsContact OG1-N 3.15Å; T307-A311 WeakPolarHBondContact O-CB 3.46Å; T307-A311 PolarHBondContact O-N 3.35Å
308A98.6Very high97.6Very high3 Ų339.9 Ų39.93%0.02521%0.211CC..Hα-helixtrans-57.3-34.6175.900000112.9N138 K139 M214 L312N138-A308 HydrophobicContact CB-CB 3.76Å; K139-A308 HydrophobicContact CB-CB 4.11Å; M214-A308 HydrophobicContact CE-CB 4.27Å; M214-A308 HydrophobicContact SD-CB 3.8Å; A308-L312 WeakPolarHBondContact O-CG 3.29Å; A308-L312 PolarHBondContact O-N 3.17Å; A308-L312 VanDerWaalsContact O-N 3.09Å
309E97.9Very high97.6Very high95 Ų9549.1 Ų49.144%0.44425%0.245SC..Hα-helixtrans-73-41.4176.1-177.3153.9-11300112.8K139 T307 A311 L312 H313K139-E309 HydrophobicContact CD-CB 4.42Å; K139-E309 WeakPolarHBondContact CE-OE1 3.4Å; K139-E309 IonicContact NZ-OE1 3.75Å; K139-E309 PolarHBondContact NZ-OE1 2.8Å; T307-E309 PolarHBondContact O-N 2.95Å; E309-A311 VanDerWaalsContact C-N 3.29Å; E309-A311 PolarHBondContact O-N 2.93Å; E309-L312 PolarHBondContact O-N 3.45Å; E309-H313 PolarHBondContact O-N 2.9Å; E309-H313 PolarHBondContact O-ND1 3.02Å
310Q98.6Very high97.6Very high104 Ų10449.5 Ų49.549%0.48624%0.244SC..Hα-helixtrans-62.7-38.9172.3-69.9167.3-16.900111.3L306 T307 L312 H313 H314L306-Q310 HydrophobicContact CB-CB 4.49Å; L306-Q310 HydrophobicContact CD2-CB 4.02Å; T307-Q310 PolarHBondContact O-N 3.44Å; T307-Q310 WeakPolarHBondContact OG1-CG 3.48Å; T307-Q310 PolarHBondContact OG1-N 2.93Å; T307-Q310 VanDerWaalsContact OG1-N 3.15Å; Q310-L312 VanDerWaalsContact C-N 3.33Å; Q310-L312 PolarHBondContact O-N 2.96Å; Q310-H313 PolarHBondContact O-N 3.5Å; Q310-H314 PolarHBondContact O-N 3.21Å
311A98.7Very high97.6Very high0 Ų051.6 Ų51.60%025%0.254CS..Hα-helixtrans-67.3-29.3177.800000113.3F135 M214 L293 T307 E309 H314 V317F135-A311 HydrophobicContact CB-CB 4.43Å; F135-A311 HydrophobicContact CD1-CB 3.63Å; F135-A311 HydrophobicContact CD2-CB 3.82Å; F135-A311 HydrophobicContact CE1-CB 3.72Å; F135-A311 HydrophobicContact CE2-CB 3.9Å; F135-A311 HydrophobicContact CG-CB 3.71Å; F135-A311 HydrophobicContact CZ-CB 3.87Å; M214-A311 HydrophobicContact CE-CB 4.05Å; L293-A311 HydrophobicContact CD1-CB 4.43Å; T307-A311 WeakPolarHBondContact O-CB 3.46Å; T307-A311 PolarHBondContact O-N 3.35Å; E309-A311 VanDerWaalsContact C-N 3.29Å; E309-A311 PolarHBondContact O-N 2.93Å; A311-H314 WeakPolarHBondContact O-CB 3.38Å; A311-H314 PolarHBondContact O-N 3.34Å; A311-V317 WeakPolarHBondContact O-CG2 3.29Å
312L98.7Very high97.7Very high0 Ų054.1 Ų54.10%027%0.267CS..Hα-helixtrans-68-32.9172.6-77.6162.8000113.1Y132 F135 K136 K139 A308 E309 Q310 H314 V317 E326Y132-L312 HydrophobicContact CD2-CD2 3.65Å; Y132-L312 HydrophobicContact CE2-CD2 3.73Å; F135-L312 HydrophobicContact CB-CD2 3.87Å; F135-L312 HydrophobicContact CB-CG 3.78Å; K136-L312 HydrophobicContact CB-CD2 4.25Å; K139-L312 HydrophobicContact CB-CD1 3.96Å; K139-L312 HydrophobicContact CD-CD1 3.59Å; K139-L312 HydrophobicContact CG-CD1 4.39Å; A308-L312 WeakPolarHBondContact O-CG 3.29Å; A308-L312 PolarHBondContact O-N 3.17Å; A308-L312 VanDerWaalsContact O-N 3.09Å; E309-L312 PolarHBondContact O-N 3.45Å; Q310-L312 VanDerWaalsContact C-N 3.33Å; Q310-L312 PolarHBondContact O-N 2.96Å; L312-H314 VanDerWaalsContact C-N 3.25Å; L312-H314 PolarHBondContact O-N 3.43Å; L312-V317 WeakPolarHBondContact O-CG2 3.4Å; L312-E326 HydrophobicContact CD1-CB 4.44Å; L312-E326 HydrophobicContact CD1-CG 4.17Å; L312-E326 HydrophobicContact CD2-CG 4.3Å
313H98.4Very high97.8Very high108 Ų10857.8 Ų57.850%0.529%0.291SS..THydrogen-bonded Turntrans-80.8-3.3174.8-6485.8000113E309 Q310 H321E309-H313 PolarHBondContact O-N 2.9Å; E309-H313 PolarHBondContact O-ND1 3.02Å; Q310-H313 PolarHBondContact O-N 3.5Å; H313-H321 AromaticContact CD2-CE1 3.77Å; H313-H321 AromaticContact CD2-NE2 3.37Å; H313-H321 PolarHBondContact CD2-NE2 2.74Å; H313-H321 AromaticContact CE1-CE1 3.96Å; H313-H321 AromaticContact NE2-CE1 3.66Å; H313-H321 AromaticContact NE2-NE2 3.54Å
314H98.7Very high97.9Very high19 Ų1958.5 Ų58.59%0.08831%0.309CS..SBendtrans-70.1139.5-173.9-164.7-91.6000112.6D289 D292 L293 Q310 A311 L312 Y316 V317 S318D289-H314 PolarHBondContact O-CE1 3.17Å; D292-H314 IonicContact OD2-NE2 3.5Å; L293-H314 HydrophobicContact CD1-CB 4.23Å; L293-H314 PolarHBondContact N-CE1 3.34Å; Q310-H314 PolarHBondContact O-N 3.21Å; A311-H314 WeakPolarHBondContact O-CB 3.38Å; A311-H314 PolarHBondContact O-N 3.34Å; L312-H314 VanDerWaalsContact C-N 3.25Å; L312-H314 PolarHBondContact O-N 3.43Å; H314-Y316 PolarHBondContact ND1-N 2.72Å; H314-Y316 PolarHBondContact O-N 2.91Å; H314-V317 HydrophobicContact CB-CG2 4.48Å; H314-V317 WeakPolarHBondContact O-CG2 3.2Å; H314-V317 PolarHBondContact O-N 2.85Å; H314-S318 PolarHBondContact O-N 3.33Å; H314-S318 VanDerWaalsContact O-N 3.1Å
315P98.5Very high97.8Very high75 Ų7560.5 Ų60.549%0.48732%0.318SS..THydrogen-bonded Turntrans-47.8-37.5179.7-32.636.7000114.9V317 S318P315-V317 VanDerWaalsContact C-N 3.28Å; P315-V317 PolarHBondContact O-N 3.12Å; P315-S318 WeakPolarHBondContact O-CB 3.39Å; P315-S318 PolarHBondContact O-N 2.8Å; P315-S318 PolarHBondContact O-OG 2.73Å
316Y98.6Very high97.8Very high1 Ų160.2 Ų60.20%0.00432%0.317CS..THydrogen-bonded Turntrans-54.6-38.3178.5-169.1-115.6000114.2D124 K127 R128 M131 L221 D289 A290 L293 H314D124-Y316 PolarHBondContact OD1-OH 2.83Å; K127-Y316 WeakPolarHBondContact CB-OH 3.49Å; R128-Y316 HydrophobicContact CB-CE1 4.25Å; R128-Y316 WeakPolarHBondContact CD-O 3.17Å; R128-Y316 HydrophobicContact CG-CD1 4.02Å; R128-Y316 HydrophobicContact CG-CD2 3.93Å; R128-Y316 HydrophobicContact CG-CE1 3.61Å; R128-Y316 HydrophobicContact CG-CE2 3.45Å; R128-Y316 VanDerWaalsContact CG-CE2 3.45Å; R128-Y316 HydrophobicContact CG-CG 4.18Å; R128-Y316 WeakPolarHBondContact CG-O 3.36Å; R128-Y316 PolarHBondContact NH1-O 2.68Å; M131-Y316 HydrophobicContact CG-CE1 4.27Å; L221-Y316 HydrophobicContact CD1-CE1 3.99Å; D289-Y316 WeakPolarHBondContact OD2-CA 3.42Å; A290-Y316 HydrophobicContact CB-CD2 3.71Å; A290-Y316 HydrophobicContact CB-CE2 3.33Å; L293-Y316 HydrophobicContact CD2-CD1 3.42Å; L293-Y316 VanDerWaalsContact CD2-CD1 3.42Å; L293-Y316 HydrophobicContact CD2-CE1 4.32Å; L293-Y316 HydrophobicContact CD2-CG 3.94Å; H314-Y316 PolarHBondContact ND1-N 2.72Å; H314-Y316 PolarHBondContact O-N 2.91Å
317V98.3Very high97.6Very high0 Ų061 Ų610%032%0.324CS..THydrogen-bonded Turntrans-107.6-6.8-177.1-62.90000114M131 F135 A311 L312 H314 P315 R319 F320 H321M131-V317 HydrophobicContact CB-CG1 4.18Å; F135-V317 HydrophobicContact CD2-CG1 4.22Å; F135-V317 HydrophobicContact CD2-CG2 4.46Å; F135-V317 HydrophobicContact CE2-CG1 4.04Å; A311-V317 WeakPolarHBondContact O-CG2 3.29Å; L312-V317 WeakPolarHBondContact O-CG2 3.4Å; H314-V317 HydrophobicContact CB-CG2 4.48Å; H314-V317 WeakPolarHBondContact O-CG2 3.2Å; H314-V317 PolarHBondContact O-N 2.85Å; P315-V317 VanDerWaalsContact C-N 3.28Å; P315-V317 PolarHBondContact O-N 3.12Å; V317-R319 PolarHBondContact O-N 3.42Å; V317-F320 PolarHBondContact O-N 2.72Å; V317-H321 PolarHBondContact O-N 3.2Å
318S97.4Very high97.5Very high69 Ų6960.3 Ų60.348%0.48333%0.325SS..THydrogen-bonded Turntrans-39.4-40.5-179.160.40000115.7H314 P315 F320 H321H314-S318 PolarHBondContact O-N 3.33Å; H314-S318 VanDerWaalsContact O-N 3.1Å; P315-S318 WeakPolarHBondContact O-CB 3.39Å; P315-S318 PolarHBondContact O-N 2.8Å; P315-S318 PolarHBondContact O-OG 2.73Å; S318-F320 PolarHBondContact O-N 3.29Å; S318-F320 VanDerWaalsContact O-N 3.12Å; S318-H321 PolarHBondContact O-N 3.37Å
319R97.4Very high97.3Very high196 Ų19661 Ų6174%0.7433%0.329SS*.THydrogen-bonded Turntrans-57-24.6177178.8172.8178.8166.36.4114.5V317V317-R319 PolarHBondContact O-N 3.42Å
320F97.6Very high97.1Very high48 Ų4863.6 Ų63.621%0.21135%0.346CS..THydrogen-bonded Turntrans-109.6-16.8-177.3-58.7-68.7000113.6I125 R128 Y129 Y132 V317 S318 N322I125-F320 HydrophobicContact CD1-CE2 3.96Å; I125-F320 HydrophobicContact CD1-CZ 3.54Å; I125-F320 HydrophobicContact CG1-CZ 4.14Å; R128-F320 HydrophobicContact CB-CD2 4.4Å; R128-F320 HydrophobicContact CB-CE2 3.78Å; Y129-F320 AromaticContact CD2-CD1 3.57Å; Y129-F320 HydrophobicContact CD2-CD1 3.57Å; Y129-F320 HydrophobicContact CD2-CD2 4.24Å; Y129-F320 AromaticContact CD2-CE1 3.55Å; Y129-F320 HydrophobicContact CD2-CE1 3.55Å; Y129-F320 HydrophobicContact CD2-CE2 4.23Å; Y129-F320 AromaticContact CD2-CG 3.92Å; Y129-F320 HydrophobicContact CD2-CG 3.92Å; Y129-F320 AromaticContact CD2-CZ 3.89Å; Y129-F320 HydrophobicContact CD2-CZ 3.89Å; Y129-F320 HydrophobicContact CE2-CD1 4.06Å; Y129-F320 HydrophobicContact CE2-CE1 4.24Å; Y129-F320 HydrophobicContact CG-CE1 4.13Å; Y129-F320 HydrophobicContact CG-CZ 4.1Å; Y132-F320 HydrophobicContact CD1-CB 3.53Å; Y132-F320 HydrophobicContact CD1-CG 4.26Å; Y132-F320 HydrophobicContact CD2-CB 3.84Å; Y132-F320 HydrophobicContact CE1-CB 3.9Å; Y132-F320 HydrophobicContact CE2-CB 4.21Å; Y132-F320 WeakPolarHBondContact CE2-O 3.25Å; Y132-F320 HydrophobicContact CG-CB 3.49Å; Y132-F320 VanDerWaalsContact CG-CB 3.49Å; Y132-F320 HydrophobicContact CG-CG 4.34Å; Y132-F320 PolarHBondContact OH-O 2.76Å; V317-F320 PolarHBondContact O-N 2.72Å; S318-F320 PolarHBondContact O-N 3.29Å; S318-F320 VanDerWaalsContact O-N 3.12Å; F320-N322 PolarHBondContact O-N 3.49Å
321H97.4Very high96.8Very high52 Ų5263.5 Ų63.524%0.24134%0.342CS..  trans-55.5130.8-178.1176.750.1000111.6H313 V317 S318 E326H313-H321 AromaticContact CD2-CE1 3.77Å; H313-H321 AromaticContact CD2-NE2 3.37Å; H313-H321 PolarHBondContact CD2-NE2 2.74Å; H313-H321 AromaticContact CE1-CE1 3.96Å; H313-H321 AromaticContact NE2-CE1 3.66Å; H313-H321 AromaticContact NE2-NE2 3.54Å; V317-H321 PolarHBondContact O-N 3.2Å; S318-H321 PolarHBondContact O-N 3.37Å; H321-E326 WeakPolarHBondContact CA-OE1 3.38Å; H321-E326 IonicContact CE1-OE1 2.72Å; H321-E326 IonicContact CE1-OE2 2.7Å; H321-E326 PolarHBondContact CE1-OE2 3.24Å; H321-E326 VanDerWaalsContact CE1-OE2 3.31Å; H321-E326 IonicContact CG-OE1 2.64Å; H321-E326 IonicContact ND1-OE1 3.25Å; H321-E326 PolarHBondContact ND1-OE1 3.17Å; H321-E326 IonicContact ND1-OE2 3.94Å; H321-E326 PolarHBondContact ND1-OE2 2.87Å
322N96.6Very high96.5Very high61 Ų6166.8 Ų66.833%0.32636%0.359SS..  trans-157.496179.5-172.7-47.1000109.1F320 A324 K325 E326F320-N322 PolarHBondContact O-N 3.49Å; N322-A324 PolarHBondContact O-N 2.6Å; N322-A324 VanDerWaalsContact O-N 3.12Å; N322-A324 PolarHBondContact OD1-N 3.3Å; N322-K325 HydrophobicContact CB-CB 4.26Å; N322-K325 CarbonylContact O-C 3.54Å; N322-K325 WeakPolarHBondContact O-CA 3.22Å; N322-K325 PolarHBondContact O-N 2.93Å; N322-K325 PolarHBondContact OD1-N 3.43Å; N322-E326 PolarHBondContact N-OE1 3.5Å; N322-E326 WeakPolarHBondContact O-CG 3.12Å; N322-E326 PolarHBondContact O-N 2.84Å
323P96.1Very high96.1Very high83 Ų8367 Ų6754%0.53936%0.36SS..G310 helixtrans-52.2-37.7-177.6-30.635.4000114.2K325 E326P323-K325 PolarHBondContact O-N 2.99Å; P323-K325 VanDerWaalsContact O-N 3.11Å; P323-E326 PolarHBondContact O-N 3.02Å; P323-E326 VanDerWaalsContact O-N 3.1Å
324A96.4Very high95.5Very high100 Ų10066.1 Ų66.183%0.82636%0.363SS*.G310 helixtrans-69.2-6177.900000114.1N322N322-A324 PolarHBondContact O-N 2.6Å; N322-A324 VanDerWaalsContact O-N 3.12Å; N322-A324 PolarHBondContact OD1-N 3.3Å
325K95.3Very high94.7Very high135 Ų13565.9 Ų65.959%0.58736%0.362SS*.G310 helixtrans-119.911.8173.7-63.9-175.1178.5-178.50112.7K136 N322 P323 P327K136-K325 WeakPolarHBondContact CD-O 3.42Å; K136-K325 WeakPolarHBondContact CE-O 3.27Å; K136-K325 PolarHBondContact NZ-O 2.81Å; N322-K325 HydrophobicContact CB-CB 4.26Å; N322-K325 CarbonylContact O-C 3.54Å; N322-K325 WeakPolarHBondContact O-CA 3.22Å; N322-K325 PolarHBondContact O-N 2.93Å; N322-K325 PolarHBondContact OD1-N 3.43Å; P323-K325 PolarHBondContact O-N 2.99Å; P323-K325 VanDerWaalsContact O-N 3.11Å; K325-P327 VanDerWaalsContact C-CD 3.48Å; K325-P327 VanDerWaalsContact O-CD 3.27Å; K325-P327 WeakPolarHBondContact O-CD 3.4Å
326E97.1Very high93.6Very high5 Ų565.5 Ų65.52%0.02337%0.365CS..  trans-117.670.9-179.1-70.8163.7-161.800110.3Y132 K139 L312 H321 N322 P323Y132-E326 HydrophobicContact CE2-CG 4.4Å; Y132-E326 WeakPolarHBondContact CE2-OE1 3.37Å; K139-E326 HydrophobicContact CD-CB 4.41Å; K139-E326 VanDerWaalsContact CE-O 3.27Å; K139-E326 WeakPolarHBondContact CE-O 3.41Å; K139-E326 PolarHBondContact NZ-O 3.18Å; L312-E326 HydrophobicContact CD1-CB 4.44Å; L312-E326 HydrophobicContact CD1-CG 4.17Å; L312-E326 HydrophobicContact CD2-CG 4.3Å; H321-E326 WeakPolarHBondContact CA-OE1 3.38Å; H321-E326 IonicContact CE1-OE1 2.72Å; H321-E326 IonicContact CE1-OE2 2.7Å; H321-E326 PolarHBondContact CE1-OE2 3.24Å; H321-E326 VanDerWaalsContact CE1-OE2 3.31Å; H321-E326 IonicContact CG-OE1 2.64Å; H321-E326 IonicContact ND1-OE1 3.25Å; H321-E326 PolarHBondContact ND1-OE1 3.17Å; H321-E326 IonicContact ND1-OE2 3.94Å; H321-E326 PolarHBondContact ND1-OE2 2.87Å; N322-E326 PolarHBondContact N-OE1 3.5Å; N322-E326 WeakPolarHBondContact O-CG 3.12Å; N322-E326 PolarHBondContact O-N 2.84Å; P323-E326 PolarHBondContact O-N 3.02Å; P323-E326 VanDerWaalsContact O-N 3.1Å
327P95.8Very high92.5Very high57 Ų5766.1 Ų66.137%0.3737%0.369SS..  trans-65.7151.2-174.830.5-37.1000111.9Y140 K325Y140-P327 HydrophobicContact CD2-CB 4.36Å; Y140-P327 HydrophobicContact CD2-CG 4.24Å; K325-P327 VanDerWaalsContact C-CD 3.48Å; K325-P327 VanDerWaalsContact O-CD 3.27Å; K325-P327 WeakPolarHBondContact O-CD 3.4Å
328A95.9Very high91.1Very high55 Ų5568.8 Ų68.846%0.45538%0.383SS..  trans-118.8155.9167.100000109S143S143-A328 WeakPolarHBondContact OG-CA 3.13Å
329L94.7Very high89.5Confident18 Ų1866.2 Ų66.29%0.09436%0.364CS..  trans-75.3151.7161.3-68.5171000109.1Y140 S143 Y331 V333Y140-L329 HydrophobicContact CD2-CG 4.13Å; Y140-L329 HydrophobicContact CE1-CD1 4.28Å; Y140-L329 HydrophobicContact CE1-CD2 4.38Å; Y140-L329 HydrophobicContact CE1-CG 4.29Å; Y140-L329 HydrophobicContact CE2-CD2 3.69Å; Y140-L329 HydrophobicContact CE2-CG 3.76Å; Y140-L329 WeakPolarHBondContact OH-CD2 3.48Å; S143-L329 PolarHBondContact OG-N 3.15Å; L329-Y331 HydrophobicContact CD2-CE1 3.81Å; L329-V333 HydrophobicContact CD1-CG2 3.75Å
330N93.4Very high88Confident149 Ų14960.6 Ų60.680%0.79735%0.349SS*.SBendtrans-117.723178.269.2-53.5000112.1
331Y92.9Very high86.6Confident103 Ų10361.9 Ų61.940%0.40436%0.36SS..SBendtrans-156.4151.8-179.962.2-89.2000109.7E79 G144 L329 V333E79-Y331 VanDerWaalsContact OE1-CE2 3.28Å; E79-Y331 WeakPolarHBondContact OE1-CE2 3.19Å; E79-Y331 PolarHBondContact OE1-OH 3.32Å; G144-Y331 WeakPolarHBondContact CA-O 3.4Å; L329-Y331 HydrophobicContact CD2-CE1 3.81Å; Y331-V333 HydrophobicContact CE2-CG2 4.19Å
332D91.1Very high85.4Confident69 Ų6965.1 Ų65.137%0.36938%0.375SS..  trans-73.7132.8174.2-71.9-24.6000111.2N145 N176 V334N145-D332 PolarHBondContact ND2-OD1 2.9Å; N176-D332 PolarHBondContact ND2-OD2 3.28Å; D332-V334 HydrophobicContact CB-CG2 4.44Å; D332-V334 PolarHBondContact O-N 2.95Å
333V91Very high84.7Confident3 Ų363.7 Ų63.72%0.01837%0.368CS..  trans-80.6109.5173.4173.90000108.9F76 E79 F80 G144 V146 S174 L329 Y331F76-V333 HydrophobicContact CD1-CG1 4.06Å; F76-V333 HydrophobicContact CE1-CG1 3.85Å; E79-V333 HydrophobicContact CG-CG1 3.92Å; E79-V333 HydrophobicContact CG-CG2 3.97Å; F80-V333 HydrophobicContact CE1-CG2 4.29Å; G144-V333 PolarHBondContact O-N 2.88Å; V146-V333 HydrophobicContact CG2-CB 3.57Å; V146-V333 HydrophobicContact CG2-CG1 3.89Å; V146-V333 HydrophobicContact CG2-CG2 4.15Å; S174-V333 VanDerWaalsContact CB-O 3.27Å; S174-V333 WeakPolarHBondContact CB-O 3.14Å; S174-V333 PolarHBondContact OG-O 3.41Å; L329-V333 HydrophobicContact CD1-CG2 3.75Å; Y331-V333 HydrophobicContact CE2-CG2 4.19Å
334V85Confident84.3Confident91 Ų9161.6 Ų61.655%0.55236%0.355SS*.  trans-114.8126.2175.2-177.30000108.6D332D332-V334 HydrophobicContact CB-CG2 4.44Å; D332-V334 PolarHBondContact O-N 2.95Å
335L82.4Confident83.9Confident14 Ų1458.5 Ų58.57%0.07333%0.326CS..  trans-77.7141.4-178-62.5-175.8000111.3R72 M75 F76 V337R72-L335 HydrophobicContact CG-CD1 3.92Å; M75-L335 HydrophobicContact CB-CD2 3.83Å; F76-L335 HydrophobicContact CD1-CD2 3.93Å; F76-L335 HydrophobicContact CD2-CD1 4.47Å; F76-L335 HydrophobicContact CE1-CD1 4.32Å; F76-L335 HydrophobicContact CE1-CD2 3.8Å; F76-L335 HydrophobicContact CE1-CG 4.16Å; F76-L335 HydrophobicContact CE2-CD1 3.91Å; F76-L335 HydrophobicContact CG-CD2 4.38Å; F76-L335 HydrophobicContact CZ-CD1 3.81Å; F76-L335 HydrophobicContact CZ-CD2 4.15Å; F76-L335 HydrophobicContact CZ-CG 4.1Å; L335-V337 WeakPolarHBondContact CB-O 3.47Å; L335-V337 CarbonylContact O-C 3.53Å; L335-V337 PolarHBondContact O-N 2.65Å
336A75.9Confident83.5Confident67 Ų6757 Ų5755%0.55432%0.323SS*.SBendtrans-66.62177.600000114.8K351A336-K351 PolarHBondContact O-NZ 2.88Å
337V74.1Confident83.1Confident14 Ų1461.4 Ų61.49%0.08534%0.344CS..SBendtrans-135.9125.6162.6178.90000105.1F71 L335 V341 L343 Y348 K351F71-V337 HydrophobicContact CE1-CB 3.85Å; F71-V337 HydrophobicContact CE1-CG2 3.65Å; F71-V337 HydrophobicContact CZ-CB 4.43Å; F71-V337 HydrophobicContact CZ-CG2 3.73Å; L335-V337 WeakPolarHBondContact CB-O 3.47Å; L335-V337 CarbonylContact O-C 3.53Å; L335-V337 PolarHBondContact O-N 2.65Å; V337-V341 HydrophobicContact CG1-CB 4.45Å; V337-L343 HydrophobicContact CB-CD1 4.47Å; V337-L343 HydrophobicContact CG1-CD1 3.63Å; V337-L343 HydrophobicContact CG1-CG 4.06Å; V337-L343 HydrophobicContact CG2-CD1 3.92Å; V337-Y348 HydrophobicContact CG1-CE1 4.16Å; V337-K351 HydrophobicContact CG2-CD 3.65Å
338D69.1Low82.9Confident56 Ų5658.8 Ų58.830%0.29933%0.326SS..  trans-71.5146.8176.7-138.2-62.5000111.6Q177 D340 V341Q177-D338 VanDerWaalsContact CD-OD1 3.23Å; Q177-D338 VanDerWaalsContact CG-OD1 3.29Å; Q177-D338 WeakPolarHBondContact CG-OD1 3.16Å; Q177-D338 PolarHBondContact NE2-OD1 3.34Å; Q177-D338 VanDerWaalsContact NE2-OD1 3.07Å; Q177-D338 PolarHBondContact NE2-OD2 3.16Å; D338-D340 PolarHBondContact O-N 3.17Å; D338-V341 HydrophobicContact CB-CG2 4.02Å; D338-V341 WeakPolarHBondContact O-CB 3.33Å; D338-V341 PolarHBondContact O-N 3.43Å
339D65Low82.5Confident14 Ų1458.8 Ų58.88%0.07531%0.314CS..THydrogen-bonded Turntrans-73.2-16.8-172.4-108-20.8000112.9Q68 R72 R173Q68-D339 PolarHBondContact NE2-O 2.92Å; Q68-D339 PolarHBondContact NE2-OD1 3.45Å; R72-D339 WeakPolarHBondContact CD-OD2 3.33Å; R72-D339 IonicContact CZ-OD1 3.91Å; R72-D339 IonicContact CZ-OD2 2.71Å; R72-D339 IonicContact NE-OD2 3.39Å; R72-D339 VanDerWaalsContact NH1-CG 3.25Å; R72-D339 IonicContact NH1-OD1 3.49Å; R72-D339 PolarHBondContact NH1-OD1 3.28Å; R72-D339 IonicContact NH1-OD2 3.17Å; R72-D339 PolarHBondContact NH1-OD2 3.04Å; R72-D339 VanDerWaalsContact NH1-OD2 3.12Å; R173-D339 IonicContact CZ-OD2 3.38Å; R173-D339 IonicContact NE-OD2 3.87Å; R173-D339 IonicContact NH1-OD2 3.46Å; R173-D339 PolarHBondContact NH1-OD2 2.97Å; R173-D339 IonicContact NH2-OD2 2.69Å; R173-D339 PolarHBondContact NH2-OD2 2.59Å
340D64.7Low82.2Confident79 Ų7961.9 Ų61.942%0.42233%0.331SS..THydrogen-bonded Turntrans-75.5-26.7170.4-68.1-2.2000112.3D338 Q342D338-D340 PolarHBondContact O-N 3.17Å; D340-Q342 PolarHBondContact O-N 3.27Å
341V69.3Low82Confident74 Ų7457.9 Ų57.945%0.44831%0.306SS..  trans-79.785.1-177.3-175.50000109.5V337 D338 L343 Y348V337-V341 HydrophobicContact CG1-CB 4.45Å; D338-V341 HydrophobicContact CB-CG2 4.02Å; D338-V341 WeakPolarHBondContact O-CB 3.33Å; D338-V341 PolarHBondContact O-N 3.43Å; V341-L343 HydrophobicContact CG1-CD2 3.77Å; V341-L343 HydrophobicContact CG1-CG 4.13Å; V341-L343 PolarHBondContact O-N 3Å; V341-Y348 PolarHBondContact O-OH 3.36Å; V341-Y348 VanDerWaalsContact O-OH 3.14Å
342Q72.2Confident81.8Confident121 Ų12153 Ų5357%0.56529%0.287SS*.  trans-67.575174.8-68.1-166.520.400113.1R64 D340R64-Q342 PolarHBondContact NH1-O 3.48Å; D340-Q342 PolarHBondContact O-N 3.27Å
343L82.3Confident81.6Confident31 Ų3150.8 Ų50.816%0.16227%0.274CS..  trans-55.1155.8171.6-62.9-179.5000111.6V337 V341 Q347 Y348V337-L343 HydrophobicContact CB-CD1 4.47Å; V337-L343 HydrophobicContact CG1-CD1 3.63Å; V337-L343 HydrophobicContact CG1-CG 4.06Å; V337-L343 HydrophobicContact CG2-CD1 3.92Å; V341-L343 HydrophobicContact CG1-CD2 3.77Å; V341-L343 HydrophobicContact CG1-CG 4.13Å; V341-L343 PolarHBondContact O-N 3Å; L343-Q347 HydrophobicContact CB-CB 3.97Å; L343-Q347 HydrophobicContact CD1-CB 4.29Å; L343-Q347 HydrophobicContact CD2-CB 4.47Å; L343-Q347 HydrophobicContact CG-CB 4.49Å; L343-Y348 HydrophobicContact CB-CD1 4.38Å; L343-Y348 HydrophobicContact CB-CD2 3.86Å; L343-Y348 HydrophobicContact CB-CE1 4.19Å; L343-Y348 HydrophobicContact CB-CE2 3.66Å; L343-Y348 HydrophobicContact CB-CG 4.22Å; L343-Y348 HydrophobicContact CD1-CD1 4.16Å; L343-Y348 HydrophobicContact CD1-CE1 4.09Å; L343-Y348 HydrophobicContact CG-CE1 4.4Å; L343-Y348 VanDerWaalsContact O-CE2 3.3Å; L343-Y348 WeakPolarHBondContact O-CE2 3.47Å
344S87.4Confident81.4Confident39 Ų3956.2 Ų56.227%0.27330%0.299SS..  trans-65.3154.5167.470.40000110.9I346 Q347 Y348S344-I346 PolarHBondContact O-N 3.08Å; S344-I346 VanDerWaalsContact O-N 3.17Å; S344-Q347 VanDerWaalsContact CB-OE1 3.27Å; S344-Q347 PolarHBondContact O-N 3.11Å; S344-Q347 WeakPolarHBondContact OG-CG 3.44Å; S344-Q347 PolarHBondContact OG-N 3.28Å; S344-Q347 PolarHBondContact OG-OE1 3.05Å; S344-Y348 PolarHBondContact O-N 3.32Å
345V86.9Confident81.3Confident35 Ų3553.8 Ų53.821%0.21228%0.282CS..Hα-helixtrans-50.4-39.5173.5171.50000112.1F61 N63 R64 A67 R349F61-V345 HydrophobicContact CB-CG1 3.76Å; F61-V345 WeakPolarHBondContact O-CG1 3.32Å; N63-V345 VanDerWaalsContact C-CG2 3.44Å; R64-V345 HydrophobicContact CG-CG2 4.36Å; A67-V345 HydrophobicContact CB-CG2 4.48Å; V345-R349 VanDerWaalsContact O-CB 3.31Å; V345-R349 WeakPolarHBondContact O-CB 3.46Å; V345-R349 PolarHBondContact O-N 3.45Å
346I87.2Confident81.4Confident102 Ų10253.8 Ų53.852%0.52328%0.282SS..Hα-helixtrans-68.2-41.4179.8-60.4175000110.6S344 R349 N350S344-I346 PolarHBondContact O-N 3.08Å; S344-I346 VanDerWaalsContact O-N 3.17Å; I346-R349 PolarHBondContact O-N 3.1Å; I346-N350 VanDerWaalsContact O-CB 3.27Å; I346-N350 WeakPolarHBondContact O-CB 3.35Å; I346-N350 PolarHBondContact O-N 2.89Å; I346-N350 PolarHBondContact O-OD1 3.1Å
347Q89.9Confident81.7Confident99 Ų9955.9 Ų55.946%0.46328%0.284SS..Hα-helixtrans-65-46.8176.7-75.3161.4-61.100112L343 S344 R349 N350 K351L343-Q347 HydrophobicContact CB-CB 3.97Å; L343-Q347 HydrophobicContact CD1-CB 4.29Å; L343-Q347 HydrophobicContact CD2-CB 4.47Å; L343-Q347 HydrophobicContact CG-CB 4.49Å; S344-Q347 VanDerWaalsContact CB-OE1 3.27Å; S344-Q347 PolarHBondContact O-N 3.11Å; S344-Q347 WeakPolarHBondContact OG-CG 3.44Å; S344-Q347 PolarHBondContact OG-N 3.28Å; S344-Q347 PolarHBondContact OG-OE1 3.05Å; Q347-R349 VanDerWaalsContact C-N 3.33Å; Q347-R349 PolarHBondContact O-N 3.05Å; Q347-N350 PolarHBondContact O-N 3.23Å; Q347-K351 WeakPolarHBondContact O-CB 3.48Å; Q347-K351 PolarHBondContact O-N 3.49Å
348Y89.7Confident82Confident2 Ų260 Ų601%0.00830%0.302CS..Hα-helixtrans-56.5-47.1174.3-80-60.7000111.8A67 Q68 F71 V337 V341 L343 S344 L352A67-Y348 HydrophobicContact CB-CD2 4.03Å; A67-Y348 HydrophobicContact CB-CG 4.33Å; Q68-Y348 HydrophobicContact CB-CE1 4.15Å; Q68-Y348 HydrophobicContact CB-CE2 3.86Å; Q68-Y348 HydrophobicContact CG-CE1 4.15Å; Q68-Y348 HydrophobicContact CG-CE2 4.45Å; Q68-Y348 VanDerWaalsContact CG-OH 3.27Å; Q68-Y348 WeakPolarHBondContact CG-OH 3.31Å; F71-Y348 HydrophobicContact CB-CD1 3.91Å; F71-Y348 HydrophobicContact CB-CE1 4.48Å; F71-Y348 HydrophobicContact CD1-CD1 4.12Å; F71-Y348 HydrophobicContact CD1-CE1 4.25Å; F71-Y348 HydrophobicContact CD2-CD1 4.32Å; F71-Y348 AromaticContact CG-CD1 3.86Å; F71-Y348 HydrophobicContact CG-CD1 3.86Å; F71-Y348 HydrophobicContact CG-CE1 4.41Å; V337-Y348 HydrophobicContact CG1-CE1 4.16Å; V341-Y348 PolarHBondContact O-OH 3.36Å; V341-Y348 VanDerWaalsContact O-OH 3.14Å; L343-Y348 HydrophobicContact CB-CD1 4.38Å; L343-Y348 HydrophobicContact CB-CD2 3.86Å; L343-Y348 HydrophobicContact CB-CE1 4.19Å; L343-Y348 HydrophobicContact CB-CE2 3.66Å; L343-Y348 HydrophobicContact CB-CG 4.22Å; L343-Y348 HydrophobicContact CD1-CD1 4.16Å; L343-Y348 HydrophobicContact CD1-CE1 4.09Å; L343-Y348 HydrophobicContact CG-CE1 4.4Å; L343-Y348 VanDerWaalsContact O-CE2 3.3Å; L343-Y348 WeakPolarHBondContact O-CE2 3.47Å; S344-Y348 PolarHBondContact O-N 3.32Å; Y348-L352 VanDerWaalsContact O-CB 3.3Å; Y348-L352 WeakPolarHBondContact O-CB 3.27Å; Y348-L352 PolarHBondContact O-N 2.83Å
349R88.1Confident82.2Confident55 Ų5561.1 Ų61.121%0.20830%0.302CS..Hα-helixtrans-64.1-44.4179.6-171.3-176.669.81576.8112.4F61 D98 V345 I346 Q347 Y353F61-R349 HydrophobicContact CD1-CB 3.67Å; F61-R349 HydrophobicContact CD1-CG 3.99Å; F61-R349 HydrophobicContact CD2-CG 3.95Å; F61-R349 HydrophobicContact CE1-CB 3.73Å; F61-R349 HydrophobicContact CE1-CG 3.95Å; F61-R349 HydrophobicContact CE2-CG 3.91Å; F61-R349 HydrophobicContact CG-CB 4.09Å; F61-R349 HydrophobicContact CG-CG 3.99Å; F61-R349 HydrophobicContact CZ-CB 4.21Å; F61-R349 HydrophobicContact CZ-CG 3.92Å; D98-R349 PolarHBondContact O-NH1 3.09Å; D98-R349 IonicContact OD2-CZ 3Å; D98-R349 IonicContact OD2-NH1 2.9Å; D98-R349 PolarHBondContact OD2-NH1 3.16Å; V345-R349 VanDerWaalsContact O-CB 3.31Å; V345-R349 WeakPolarHBondContact O-CB 3.46Å; V345-R349 PolarHBondContact O-N 3.45Å; I346-R349 PolarHBondContact O-N 3.1Å; Q347-R349 VanDerWaalsContact C-N 3.33Å; Q347-R349 PolarHBondContact O-N 3.05Å; R349-Y353 HydrophobicContact CG-CD2 4.12Å; R349-Y353 HydrophobicContact CG-CE1 4.38Å; R349-Y353 HydrophobicContact CG-CE2 3.49Å; R349-Y353 VanDerWaalsContact CG-CE2 3.49Å; R349-Y353 WeakPolarHBondContact O-CD2 3.26Å; R349-Y353 VanDerWaalsContact O-CG 3.27Å; R349-Y353 PolarHBondContact O-N 3.42Å; R349-Y353 VanDerWaalsContact O-N 3.11Å
350N89.6Confident82.6Confident82 Ų8266 Ų6644%0.43932%0.319SS..Hα-helixtrans-66.8-48.8-179-70.96.4000111I346 Q347 L352 Y353 E354I346-N350 VanDerWaalsContact O-CB 3.27Å; I346-N350 WeakPolarHBondContact O-CB 3.35Å; I346-N350 PolarHBondContact O-N 2.89Å; I346-N350 PolarHBondContact O-OD1 3.1Å; Q347-N350 PolarHBondContact O-N 3.23Å; N350-L352 VanDerWaalsContact C-N 3.29Å; N350-L352 PolarHBondContact O-N 3.12Å; N350-Y353 PolarHBondContact O-N 2.97Å; N350-Y353 VanDerWaalsContact O-N 3.09Å; N350-E354 WeakPolarHBondContact O-CB 3.1Å; N350-E354 PolarHBondContact O-N 3.48Å
351K88.2Confident82.8Confident65 Ų6566.2 Ų66.228%0.28332%0.324SS..Hα-helixtrans-61.6-37.1178-172.3166.7-175165.70112.1F71 A336 V337 Q347 E354 M355F71-K351 HydrophobicContact CE2-CB 4.35Å; F71-K351 HydrophobicContact CE2-CG 4.17Å; F71-K351 HydrophobicContact CZ-CD 4.27Å; F71-K351 HydrophobicContact CZ-CG 4.35Å; A336-K351 PolarHBondContact O-NZ 2.88Å; V337-K351 HydrophobicContact CG2-CD 3.65Å; Q347-K351 WeakPolarHBondContact O-CB 3.48Å; Q347-K351 PolarHBondContact O-N 3.49Å; K351-E354 PolarHBondContact O-N 2.65Å; K351-M355 HydrophobicContact CG-SD 4.28Å; K351-M355 WeakPolarHBondContact O-CG 3.3Å; K351-M355 PolarHBondContact O-N 3.4Å
352L88Confident82.5Confident1 Ų168.9 Ų68.91%0.00533%0.331CS..Hα-helixtrans-61.4-45.2173-17268.2000112.1F61 F71 I74 M75 I101 Y348 N350 M356F61-L352 HydrophobicContact CE1-CD2 4.44Å; F61-L352 HydrophobicContact CZ-CD2 3.83Å; F71-L352 HydrophobicContact CD2-CB 4.11Å; F71-L352 HydrophobicContact CD2-CD1 4.09Å; F71-L352 HydrophobicContact CE2-CB 4.46Å; I74-L352 HydrophobicContact CB-CD1 4.12Å; I74-L352 HydrophobicContact CD1-CD1 3.8Å; I74-L352 HydrophobicContact CD1-CD2 3.75Å; I74-L352 HydrophobicContact CD1-CG 4.38Å; I74-L352 HydrophobicContact CG2-CD1 3.81Å; M75-L352 HydrophobicContact CE-CD1 3.99Å; I101-L352 HydrophobicContact CD1-CD2 3.49Å; I101-L352 VanDerWaalsContact CD1-CD2 3.49Å; Y348-L352 VanDerWaalsContact O-CB 3.3Å; Y348-L352 WeakPolarHBondContact O-CB 3.27Å; Y348-L352 PolarHBondContact O-N 2.83Å; N350-L352 VanDerWaalsContact C-N 3.29Å; N350-L352 PolarHBondContact O-N 3.12Å; L352-M356 HydrophobicContact CG-SD 4.17Å; L352-M356 WeakPolarHBondContact O-CB 3.39Å; L352-M356 WeakPolarHBondContact O-CG 3.28Å; L352-M356 PolarHBondContact O-N 3.28Å
353Y87.7Confident81.8Confident22 Ų2268 Ų689%0.08633%0.327CS..Hα-helixtrans-70.4-33.6-180-64.7-15.6000112.7R94 R349 N350 M356 L357R94-Y353 HydrophobicContact CB-CE1 4.03Å; R94-Y353 VanDerWaalsContact CD-CE2 3.49Å; R94-Y353 HydrophobicContact CG-CE1 4.18Å; R94-Y353 HydrophobicContact CG-CE2 4.15Å; R349-Y353 HydrophobicContact CG-CD2 4.12Å; R349-Y353 HydrophobicContact CG-CE1 4.38Å; R349-Y353 HydrophobicContact CG-CE2 3.49Å; R349-Y353 VanDerWaalsContact CG-CE2 3.49Å; R349-Y353 WeakPolarHBondContact O-CD2 3.26Å; R349-Y353 VanDerWaalsContact O-CG 3.27Å; R349-Y353 PolarHBondContact O-N 3.42Å; R349-Y353 VanDerWaalsContact O-N 3.11Å; N350-Y353 PolarHBondContact O-N 2.97Å; N350-Y353 VanDerWaalsContact O-N 3.09Å; Y353-M356 HydrophobicContact CD1-CE 4.43Å; Y353-M356 HydrophobicContact CD1-SD 3.84Å; Y353-M356 HydrophobicContact CE1-SD 4.42Å; Y353-M356 WeakPolarHBondContact O-CB 3.14Å; Y353-M356 PolarHBondContact O-N 3.09Å; Y353-L357 VanDerWaalsContact O-CD1 3.23Å; Y353-L357 WeakPolarHBondContact O-CD1 3.17Å; Y353-L357 PolarHBondContact O-N 3.12Å
354E87.4Confident80.3Confident118 Ų11868.6 Ų68.655%0.55134%0.34SS*.Hα-helixtrans-59.2-55.4171.7-174.5165.8-13200110.9N350 K351 M356 L357 E358N350-E354 WeakPolarHBondContact O-CB 3.1Å; N350-E354 PolarHBondContact O-N 3.48Å; K351-E354 PolarHBondContact O-N 2.65Å; E354-M356 VanDerWaalsContact C-N 3.25Å; E354-M356 PolarHBondContact O-N 2.98Å; E354-L357 WeakPolarHBondContact O-CA 3.48Å; E354-L357 WeakPolarHBondContact O-CB 3.22Å; E354-L357 PolarHBondContact O-N 3.39Å; E354-E358 PolarHBondContact O-N 3.32Å
355M83.2Confident78.4Confident40 Ų4071.7 Ų71.720%0.19736%0.357CS..Hα-helixtrans-61.6-30.9176.1-64.7178.77200113F71 M75 K351 L357 E358 R359F71-M355 HydrophobicContact CE2-SD 4.45Å; F71-M355 HydrophobicContact CZ-SD 4.36Å; M75-M355 HydrophobicContact CE-CE 3.93Å; M75-M355 HydrophobicContact CE-SD 3.98Å; M75-M355 HydrophobicContact SD-CE 3.41Å; M75-M355 WeakPolarHBondContact SD-CE 3.45Å; M75-M355 HydrophobicContact SD-SD 3.59Å; K351-M355 HydrophobicContact CG-SD 4.28Å; K351-M355 WeakPolarHBondContact O-CG 3.3Å; K351-M355 PolarHBondContact O-N 3.4Å; M355-L357 VanDerWaalsContact C-N 3.34Å; M355-E358 WeakPolarHBondContact CA-OE2 3.19Å; M355-E358 PolarHBondContact O-N 2.92Å; M355-R359 WeakPolarHBondContact O-CB 3.49Å; M355-R359 PolarHBondContact O-N 3.48Å
356M82.8Confident76.5Confident14 Ų1477.3 Ų77.37%0.06939%0.385CS..Hα-helixtrans-69.3-26.7171.8-75.1169.95400113.9V92 L352 Y353 E354 R360V92-M356 HydrophobicContact CB-CE 4.03Å; V92-M356 HydrophobicContact CB-CG 4.12Å; V92-M356 HydrophobicContact CB-SD 3.88Å; V92-M356 HydrophobicContact CG1-CE 3.82Å; V92-M356 HydrophobicContact CG1-CG 4.2Å; V92-M356 HydrophobicContact CG1-SD 3.37Å; V92-M356 WeakPolarHBondContact CG1-SD 3.18Å; V92-M356 VanDerWaalsContact O-CE 3.26Å; V92-M356 WeakPolarHBondContact O-CE 3.27Å; L352-M356 HydrophobicContact CG-SD 4.17Å; L352-M356 WeakPolarHBondContact O-CB 3.39Å; L352-M356 WeakPolarHBondContact O-CG 3.28Å; L352-M356 PolarHBondContact O-N 3.28Å; Y353-M356 HydrophobicContact CD1-CE 4.43Å; Y353-M356 HydrophobicContact CD1-SD 3.84Å; Y353-M356 HydrophobicContact CE1-SD 4.42Å; Y353-M356 WeakPolarHBondContact O-CB 3.14Å; Y353-M356 PolarHBondContact O-N 3.09Å; E354-M356 VanDerWaalsContact C-N 3.25Å; E354-M356 PolarHBondContact O-N 2.98Å; M356-R360 WeakPolarHBondContact O-CD 3.21Å; M356-R360 WeakPolarHBondContact O-CG 3.37Å
357L82.8Confident74.1Confident111 Ų11182.2 Ų82.258%0.58140%0.397SS*.Hα-helixtrans-76.3-46.6171.4-96.669.2000110Y353 E354 M355 R359 R360 T361Y353-L357 VanDerWaalsContact O-CD1 3.23Å; Y353-L357 WeakPolarHBondContact O-CD1 3.17Å; Y353-L357 PolarHBondContact O-N 3.12Å; E354-L357 WeakPolarHBondContact O-CA 3.48Å; E354-L357 WeakPolarHBondContact O-CB 3.22Å; E354-L357 PolarHBondContact O-N 3.39Å; M355-L357 VanDerWaalsContact C-N 3.34Å; L357-R359 PolarHBondContact O-N 2.76Å; L357-R360 WeakPolarHBondContact O-CB 3.43Å; L357-R360 PolarHBondContact O-N 3.18Å; L357-T361 PolarHBondContact O-N 3.09Å
358E81.1Confident71.3Confident99 Ų9984.1 Ų84.146%0.46341%0.41SS..Hα-helixtrans-56.6-47.3177.1-65.7174.2150.800112.2E354 M355 R360 T361 H362E354-E358 PolarHBondContact O-N 3.32Å; M355-E358 WeakPolarHBondContact CA-OE2 3.19Å; M355-E358 PolarHBondContact O-N 2.92Å; E358-R360 PolarHBondContact O-N 2.79Å; E358-T361 PolarHBondContact O-N 3.27Å; E358-T361 PolarHBondContact O-OG1 2.97Å; E358-H362 PolarHBondContact O-N 3.39Å; E358-H362 VanDerWaalsContact O-N 3.13Å; E358-H362 PolarHBondContact O-ND1 2.88Å
359R73.1Confident68.7Low80 Ų8089.2 Ų89.230%0.30244%0.443SS..Hα-helixtrans-60.6-29.8178.1-156179.9-160.6-149.59.7112.1L89 M355 L357 Q363L89-R359 PolarHBondContact O-NH1 3.48Å; M355-R359 WeakPolarHBondContact O-CB 3.49Å; M355-R359 PolarHBondContact O-N 3.48Å; L357-R359 PolarHBondContact O-N 2.76Å; R359-Q363 WeakPolarHBondContact O-CB 3.28Å; R359-Q363 VanDerWaalsContact O-CG 3.28Å; R359-Q363 WeakPolarHBondContact O-CG 3.47Å; R359-Q363 PolarHBondContact O-N 3.05Å
360R72.4Confident66.1Low117 Ų11794.8 Ų94.844%0.44248%0.477SS..Hα-helixtrans-80.1-35.4178-72.3176.2-174.5166.57.8113.2V92 M356 L357 E358 G364V92-R360 PolarHBondContact O-NH2 3Å; M356-R360 WeakPolarHBondContact O-CD 3.21Å; M356-R360 WeakPolarHBondContact O-CG 3.37Å; L357-R360 WeakPolarHBondContact O-CB 3.43Å; L357-R360 PolarHBondContact O-N 3.18Å; E358-R360 PolarHBondContact O-N 2.79Å; R360-G364 PolarHBondContact O-N 3.3Å
361T69.3Low63.5Low84 Ų8497.7 Ų97.752%0.51549%0.493SS..Hα-helixtrans-65.8-46.1174.355.20000110.4L357 E358 Q363 G364 T365L357-T361 PolarHBondContact O-N 3.09Å; E358-T361 PolarHBondContact O-N 3.27Å; E358-T361 PolarHBondContact O-OG1 2.97Å; T361-Q363 PolarHBondContact O-N 3.41Å; T361-G364 PolarHBondContact O-N 2.88Å; T361-G364 VanDerWaalsContact O-N 3.08Å; T361-T365 PolarHBondContact O-N 3.23Å; T361-T365 PolarHBondContact O-OG1 3.49Å; T361-T365 VanDerWaalsContact O-OG1 3.11Å
362H62.9Low61Low129 Ų129105.7 Ų105.760%0.59752%0.521SS*.Hα-helixtrans-61.2-43.6177-68.882.8000112.8E358 G364 L366E358-H362 PolarHBondContact O-N 3.39Å; E358-H362 VanDerWaalsContact O-N 3.13Å; E358-H362 PolarHBondContact O-ND1 2.88Å; H362-G364 VanDerWaalsContact C-N 3.3Å; H362-G364 PolarHBondContact O-N 3.12Å; H362-L366 WeakPolarHBondContact O-CG 3.3Å; H362-L366 PolarHBondContact O-N 2.98Å
363Q58.8Low58.1Low104 Ų104112.9 Ų112.949%0.48657%0.565SS.*Hα-helixtrans-68.2-26.8174-74.6-178.5-1.900113.6R359 T361 R367R359-Q363 WeakPolarHBondContact O-CB 3.28Å; R359-Q363 VanDerWaalsContact O-CG 3.28Å; R359-Q363 WeakPolarHBondContact O-CG 3.47Å; R359-Q363 PolarHBondContact O-N 3.05Å; T361-Q363 PolarHBondContact O-N 3.41Å; Q363-R367 WeakPolarHBondContact O-CG 3.38Å
364G50.2Low55.3Low42 Ų42118.5 Ų118.543%0.43361%0.606SS.*Hα-helixtrans-72-46.4174.600000112.6R360 T361 H362 L366 R367R360-G364 PolarHBondContact O-N 3.3Å; T361-G364 PolarHBondContact O-N 2.88Å; T361-G364 VanDerWaalsContact O-N 3.08Å; H362-G364 VanDerWaalsContact C-N 3.3Å; H362-G364 PolarHBondContact O-N 3.12Å; G364-L366 VanDerWaalsContact C-N 3.28Å; G364-L366 PolarHBondContact O-N 2.97Å; G364-R367 CarbonylContact O-C 3.5Å; G364-R367 WeakPolarHBondContact O-CA 3.18Å; G364-R367 PolarHBondContact O-N 3.24Å
365T48.3Very low52.5Low105 Ų105116.3 Ų116.364%0.64462%0.615SS**Hα-helixtrans-61.6-36.8177.6-520000111.8T361 R367T361-T365 PolarHBondContact O-N 3.23Å; T361-T365 PolarHBondContact O-OG1 3.49Å; T361-T365 VanDerWaalsContact O-OG1 3.11Å; T365-R367 PolarHBondContact O-N 2.88Å
366L45.6Very low49.9Very low153 Ų153120.5 Ų120.580%0.80164%0.638SS**THydrogen-bonded Turntrans-74.41.8173.3-70.5169.6000114.4H362 G364H362-L366 WeakPolarHBondContact O-CG 3.3Å; H362-L366 PolarHBondContact O-N 2.98Å; G364-L366 VanDerWaalsContact C-N 3.28Å; G364-L366 PolarHBondContact O-N 2.97Å
367R38.1Very low47.3Very low205 Ų205125.3 Ų125.377%0.77467%0.672SS**THydrogen-bonded Turntrans-129.928.3-179.6-74.1-170.3169.3-160-1.3113.9Q363 G364 T365 P369Q363-R367 WeakPolarHBondContact O-CG 3.38Å; G364-R367 CarbonylContact O-C 3.5Å; G364-R367 WeakPolarHBondContact O-CA 3.18Å; G364-R367 PolarHBondContact O-N 3.24Å; T365-R367 PolarHBondContact O-N 2.88Å; R367-P369 WeakPolarHBondContact O-CD 3.47Å
368L29.4Very low44.8Very low139 Ų139128 Ų12873%0.72868%0.682SS**  trans-71.5123.1162.5-84.4158.8000109.9N370L368-N370 PolarHBondContact O-N 2.96Å
369P36.6Very low42.3Very low108 Ų108132.1 Ų132.170%0.70170%0.701SS**  trans-65.1129170.7-16.830.8000109.4R367 N371R367-P369 WeakPolarHBondContact O-CD 3.47Å; P369-N371 PolarHBondContact O-N 3.39Å
370N33.4Very low40.1Very low173 Ų173137.9 Ų137.993%0.92573%0.728SS**  trans-72.990178.8-170.121.8000110.1L368L368-N370 PolarHBondContact O-N 2.96Å
371N34.9Very low38Very low142 Ų142138.3 Ų138.376%0.75975%0.746SS**  trans-13974.7-170.7-163.714.7000111.9P369P369-N371 PolarHBondContact O-N 3.39Å
372R34.2Very low35.9Very low233 Ų233139.6 Ų139.688%0.87976%0.759SS**  trans-162.492.9166.2-111174.6-163.1-155.22.7112.6
373T28.1Very low34.2Very low152 Ų152138.3 Ų138.393%0.93376%0.764SS**  trans-158.384.8147.924.50000108.9
374C29.2Very low32.8Very low141 Ų141144.5 Ų144.595%0.95378%0.783SS**  trans-147.5124.1159.6-172.10000106.5
375G27.8Very low31.7Very low71 Ų71152.6 Ų152.673%0.73281%0.806SS**  trans138.160.2-165.400000112.6
376D28.5Very low30.7Very low129 Ų129151.1 Ų151.169%0.6981%0.812SS**  trans-110.4133.5147.1-175.421.3000106.9Q378D376-Q378 PolarHBondContact OD2-NE2 2.93Å; D376-Q378 VanDerWaalsContact OD2-NE2 3.11Å
377C28Very low29.9Very low115 Ų115151 Ų15178%0.77781%0.812SS**  trans-124.581.4-170.6-74.30000109E379C377-E379 PolarHBondContact O-N 3Å
378Q30.9Very low29.6Very low168 Ų168149.1 Ų149.179%0.78581%0.809SS**PPolyproline II helixtrans-76.8125.9179.7-64.2-169.42.900111.5D376D376-Q378 PolarHBondContact OD2-NE2 2.93Å; D376-Q378 VanDerWaalsContact OD2-NE2 3.11Å
379E29.4Very low29.6Very low184 Ų184149.8 Ų149.886%0.8681%0.809SS**PPolyproline II helixtrans-71.7152178.5-60.8-174.612200111.9C377 P381C377-E379 PolarHBondContact O-N 3Å; E379-P381 WeakPolarHBondContact O-CD 3.41Å
380K26.2Very low29.2Very low202 Ų202151.9 Ų151.988%0.87881%0.809SS**PPolyproline II helixtrans-85.8125.7172.4-66.5179.6-178.5177.60110.8
381P27.5Very low29.1Very low125 Ų125151.4 Ų151.481%0.81280%0.801SS**PPolyproline II helixtrans-77155.9139.433.4-30.6000109.4E379E379-P381 WeakPolarHBondContact O-CD 3.41Å
382S26.3Very low28.7Very low112 Ų112147.8 Ų147.878%0.78380%0.798SS**  trans-125143.2173.970.10000111.1
383S27.1Very low29.1Very low102 Ų102142.7 Ų142.771%0.71380%0.795SS**  159.1162.6124.163.60000113.9
384R28.6Very low29.2Very low234 Ų234140.1 Ų140.188%0.88379%0.789SS**  trans73.299.1159.9-64.5176.6-174.8-152-1.8119.7
385K28.7Very low29.2Very low212 Ų212137.7 Ų137.792%0.92278%0.779SS**  trans-3.6145.9139.2-55.4-179.6174.4-171.60118.3
386G27.3Very low29.2Very low74 Ų74139 Ų13976%0.76378%0.783SS**  trans-178.135169.300000119
387D28.7Very low29.2Very low149 Ų149137.7 Ų137.780%0.79779%0.79SS**  trans47.5167.7156.4-52.4-18.7000123.1
388K30.9Very low29.2Very low167 Ų167136.8 Ų136.873%0.72679%0.785SS**  trans78.8116.5170.4-60.1-164165.5-76.60116.2
389E29.4Very low29.1Very low152 Ų152136.5 Ų136.571%0.7178%0.783SS**  71.4128.772-70166.5167.900111.6
390E29.1Very low29.1Very low153 Ų153133.8 Ų133.872%0.71577%0.774SS**  cis-160.9179.9-3.5-143.8-167.1179.700110.8
391Q30.4Very low29.1Very low163 Ų163131 Ų13176%0.76277%0.769SS**  trans63.8117.8155.8-66.3173.242.200120.6
392G26.3Very low29Very low66 Ų66131 Ų13168%0.6876%0.758SS**  trans-82.3-160.714400000110.8
393P42.9Very low29.1Very low126 Ų126134.5 Ų134.582%0.81875%0.754SS**  cis-109.6177.624.9619.9000112.6
394A29.4Very low29Very low97 Ų97138 Ų13880%0.80276%0.757SS**  60.1145.755.600000113.9
395A29.1Very low28.9Very low90 Ų90133 Ų13374%0.74475%0.752SS**  cis-147143.3-100000108.1
396A27.9Very low28.8Very low100 Ų100132.7 Ų132.783%0.82675%0.745SS**  72.9152.985.100000117.1
397A28.5Very low28.8Very low100 Ų100133.6 Ų133.683%0.82673%0.733SS**  trans81.2104.2165.700000120.9
398S28.1Very low28.9Very low96 Ų96133 Ų13367%0.67173%0.725SS**  trans-25.6148.2142-40.60000115.8
399H29.2Very low28.8Very low162 Ų162132.8 Ų132.875%0.7573%0.727SS**  -174.2159.774.1-101.2-68.9000115.1
400N28.6Very low28.7Very low127 Ų127132.1 Ų132.168%0.67973%0.733SS**  trans16.3130.9147.9-47.36.7000119.9
401N26.8Very low28.6Very low144 Ų144128 Ų12877%0.7773%0.731SS**  -171.4153.389-118.2-5000117.1
402E26.9Very low28.5Very low124 Ų124128.4 Ų128.458%0.57973%0.733SS**  trans33.5131.6146-77.6-154137.400125
403R26.5Very low28.5Very low187 Ų187131.7 Ų131.771%0.70674%0.741SS**  99.9127.1124.6-84.3173.5-170.8174.914.4123.8
404K26.3Very low27.7Very low174 Ų174134.6 Ų134.676%0.75774%0.737SS**  trans90134131.2-88-173.3172.8-173.40121.3
405T25.6Very low27.5Very low130 Ų130137.3 Ų137.380%0.79873%0.732SS**  trans66.9154154.647.50000116.2
406R26.5Very low27.5Very low205 Ų205140.3 Ų140.377%0.77473%0.731SS**  cis-153.6160.413.1-142.4-172.4153.4162.7-7.7110.3
407N27.8Very low27.8Very low94 Ų94141.5 Ų141.550%0.50373%0.73SS.*  trans29.3153.7136.4-66.223.7000121.8
408E30.2Very low27.7Very low135 Ų135141.1 Ų141.163%0.63172%0.721SS**  cis-165.7167.1-1.6-113.8149.6-174.300109.5
409E29.7Very low27.8Very low164 Ų164144.7 Ų144.777%0.76673%0.727SS**  trans26.9153.1139.7-66168.7-174.400122.1
410T27.1Very low27.7Very low138 Ų138142.1 Ų142.185%0.84772%0.723SS**  cis-156.8179.96.59.10000107.8
411G26.6Very low27.7Very low65 Ų65144 Ų14467%0.6773%0.728SS**  cis-178.9-167.87.400000112
412E29.5Very low27.9Very low172 Ų172142.2 Ų142.280%0.80472%0.721SS**  trans-80.2-179.8-168.6-51.1173.3136.900113.7
413T25.6Very low27.9Very low136 Ų136141.4 Ų141.483%0.83473%0.725SS**  -169.5-165.174.1-34.40000112
414Y26.3Very low28.1Very low187 Ų187141.1 Ų141.173%0.73373%0.729SS**  trans-114.7169.2-158.9-76-107.9000116.3
415H25.9Very low28.2Very low154 Ų154138.6 Ų138.671%0.71373%0.728SS**  trans60.8128.9148.5-85.5-76.4000123
416E27.1Very low28.2Very low153 Ų153140 Ų14072%0.71573%0.726SS**  34.1145.2127.2-100.8178.5143.100122.6
417P36.2Very low28.3Very low125 Ų125134.9 Ų134.981%0.81273%0.728SS**  -146.8-174.972.641.1-22.5000117.3
418S25.8Very low28.4Very low91 Ų91134.8 Ų134.864%0.63674%0.739SS**  trans-99.6170.4-177.656.80000114.1
419H28.8Very low28.4Very low172 Ų172136 Ų13680%0.79675%0.75SS**  trans-179.3117.4149.8-97.7-61.9000109.7
420T28.1Very low28.3Very low107 Ų107132.2 Ų132.266%0.65675%0.747SS**  53.3137.210060.20000115.7
421E29Very low28.3Very low168 Ų168130.7 Ų130.779%0.78574%0.742SS**  cis-171.3176.33.1-122.1-174.993.400108.6
422V30.1Very low28.5Very low105 Ų105135.4 Ų135.464%0.63675%0.752SS**  cis-157.4173.7-7.873.20000107.3
423T27.6Very low29.8Very low107 Ų107133 Ų13366%0.65675%0.751SS**  17612791.7-42.60000111.7
424K29.4Very low29.8Very low182 Ų182131.2 Ų131.279%0.79174%0.744SS**  trans51.2149.3151.8-68.7178.2177179.50121.3
425T28.3Very low29.9Very low120 Ų120128 Ų12874%0.73674%0.744SS**  cis-144.8161.614.9-23.70000112.4
426E26.2Very low30.1Very low160 Ų160126.5 Ų126.575%0.74875%0.746SS**  trans-67.5163.5-178.2-55.7100141.600115
427A28.7Very low30.1Very low98 Ų98128.3 Ų128.381%0.8176%0.755SS**  cis89.1926.500000120.1
428A30.4Very low29.9Very low91 Ų91131.5 Ų131.575%0.75276%0.756SS**  trans-166.2133.2156.300000109.1
429N29.1Very low29.9Very low161 Ų161133.9 Ų133.986%0.86177%0.766SS**  72.5133.958.5-68.3-21.2000113.9
430A28.1Very low29.9Very low85 Ų85130.9 Ų130.970%0.70277%0.765SS**  cis-167.9-169.3-8.600000111.9
431S28.3Very low30.5Very low106 Ų106131.9 Ų131.974%0.74177%0.774SS**  trans71.5104.9151.560.70000123.6
432N29.1Very low30.6Very low164 Ų164132.3 Ų132.388%0.87778%0.776SS**  69162.7119.8-7810.6000123.4
433P56.9Low31.3Very low120 Ų120133.4 Ų133.478%0.77978%0.784SS**  trans-121.1170.4-148.843.9-34.4000117.8
434S27.2Very low31.3Very low99 Ų99131.1 Ų131.169%0.69278%0.782SS**  trans-154.1135.5163.853.70000108.2
435T28.4Very low31.5Very low119 Ų119130 Ų13073%0.7378%0.78SS**  51.1132.266.465.60000113
436T30.2Very low31.6Very low123 Ų123134.6 Ų134.676%0.75578%0.783SS**  cis-168.6160.17.24.10000109.1
437E25.8Very low31.8Very low191 Ų191134.6 Ų134.689%0.89379%0.788SS**  trans-151.9156.4141.5-134.4168.4-146.600113.4
438K32.6Very low31.8Very low193 Ų193132.8 Ų132.884%0.83978%0.779SS**  trans-145.9133179.5-75.8179.7178175.40109.4
439T26.4Very low31.8Very low140 Ų140137.9 Ų137.986%0.85978%0.784SS**  trans-156.3129.7149.60.80000112.1
440S29Very low32.3Very low110 Ų110136.5 Ų136.577%0.76978%0.784SS**  trans-94.9161.2153.7-53.60000108.1
441P39.5Very low32.4Very low128 Ų128136.6 Ų136.683%0.83178%0.784SS**  -143.2169.4103.436.8-23000115
442Q30.8Very low32.3Very low177 Ų177142.1 Ų142.183%0.82779%0.791SS**  trans-118.7157164.5-118.5-164.237.200107.6
443P45.2Very low32.4Very low127 Ų127141.3 Ų141.383%0.82579%0.786SS**  -157.5165.582.640.3-20.4000118.6
444G28.6Very low32.1Very low59 Ų59140.4 Ų140.461%0.60878%0.78SS**  trans96.9149.2155.300000117.1
445H32Very low32Very low160 Ų160142.5 Ų142.574%0.74178%0.782SS**  cis-161.8120.3-2-133.7-97.4000112.5
446R30.6Very low32Very low215 Ų215140.6 Ų140.681%0.81178%0.779SS**  trans60.6155.3161.6-66.3-178.2-173.8-162.70.5116.7
447L32.1Very low32Very low161 Ų161142.2 Ų142.284%0.84378%0.778SS**  cis-148.8159.9-10.3-110.3161.9000105.3
448G26.9Very low32.2Very low60 Ų60139 Ų13962%0.61977%0.771SS**  cis180-159.14.500000111.4
449K31.4Very low31.9Very low197 Ų197134.1 Ų134.186%0.85776%0.761SS**  trans-143.8171.9166.4-66.8-173178.1178.90108.4
450P38.8Very low32Very low132 Ų132135.1 Ų135.186%0.85776%0.761SS**  -138.2174.593.339.5-28.5000113.8
451A30.2Very low31.8Very low87 Ų87133 Ų13372%0.71976%0.757SS**  trans-151.2144.7168.900000109.1
452Y25.7Very low31.3Very low223 Ų223136.2 Ų136.288%0.87576%0.759SS**  trans-164.5159.1157.6-134.2-110.5000112.3
453N31.2Very low31.1Very low146 Ų146133.8 Ų133.878%0.78175%0.751SS**  trans-111.1-151173-56.9-42.3000108.6
454P50.6Low30.3Very low101 Ų101138.6 Ų138.666%0.65675%0.753SS**  cis-131.7-162-33.321.44.5000113.1
455I26.2Very low31.5Very low143 Ų143141 Ų14173%0.73376%0.758SS**  trans105.4104.9146.4-54.9-175.5000120.7
456A28.7Very low32.3Very low80 Ų80139.4 Ų139.466%0.66176%0.762SS**  trans60170.3136.700000121.1
457H30.4Very low32.3Very low157 Ų157137.5 Ų137.573%0.72776%0.761SS**  cis-153.1154.721.1-101.5-74.4000115
458T28.4Very low32Very low123 Ų123139.4 Ų139.476%0.75576%0.763SS**  trans61.4158.6145.553.40000122.6
459S26.4Very low32.1Very low90 Ų90140.7 Ų140.763%0.62976%0.763SS**  cis-172-176.7-27.7620000111.7
460N28.3Very low31.8Very low161 Ų161142.3 Ų142.386%0.86176%0.763SS**  trans82.2147.5168.3-51.5-2.4000117.3
461G26.5Very low31.2Very low67 Ų67141.1 Ų141.169%0.69175%0.754SS**  cis153120.3-14.800000116.8
462F27.7Very low31Very low195 Ų195141.6 Ų141.686%0.85575%0.752SS**  trans72119.4151.5-79.9-85.6000124.6
463N27.9Very low31Very low126 Ų126142.4 Ų142.467%0.67475%0.754SS**  68.1113.6129.5-89.1-4.3000126.6
464R28.1Very low30.8Very low228 Ų228139.9 Ų139.986%0.8675%0.748SS**  80.2157122.9-81.8-168.5173-156-1.5122.9
465P53.9Low29.7Very low109 Ų109140.6 Ų140.671%0.70876%0.755SS**  trans-106.9-172.9-169.843.8-36.8000114.3
466P47.9Very low29.9Very low127 Ų127138.7 Ų138.783%0.82576%0.761SS**  -146.9-172.5114.240.1-24.5000116.9
467H30Very low29.8Very low174 Ų174138 Ų13881%0.80676%0.761SS**  trans-89160.9-176.2-59.4-110.1000115.5
468F27.5Very low30Very low201 Ų201139.7 Ų139.788%0.88277%0.769SS**  trans-151.9107.4140.9-96-90.7000108.1
469S27.5Very low30.1Very low87 Ų87139.4 Ų139.461%0.60877%0.768SS**  54121.696.974.40000116.6
470R25.9Very low30.3Very low231 Ų231146.4 Ų146.487%0.87278%0.78SS**  66129.589.9-128-166.6165.2-178.2-5.8111.6
471T26.4Very low30.4Very low108 Ų108144.4 Ų144.466%0.66377%0.774SS**  cis-167.3141.940.436.20000115
472S25.9Very low30.5Very low97 Ų97151.8 Ų151.868%0.67878%0.781SS**  trans48.6149.513379.10000126.7
473R26Very low30.7Very low239 Ų239148.1 Ų148.190%0.90277%0.769SS**  trans75.4152.2153.1-76.6174.9178.6178.9-0.8117.1
474S26.5Very low30.8Very low94 Ų94148 Ų14866%0.65777%0.773SS**  cis-166.2171.4-643.10000112.6
475S27.5Very low30.8Very low115 Ų115143.2 Ų143.280%0.80477%0.769SS**  trans63.8151.9157.640.60000118.7
476A30.4Very low29.7Very low104 Ų104143.6 Ų143.686%0.8677%0.769SS**  cis-163.4170.1-15.400000107.6
477G27.7Very low29.9Very low65 Ų65142.8 Ų142.867%0.6776%0.764SS**  cis167.8172.1-5.700000112.2
478Q34.2Very low29.7Very low192 Ų192139.9 Ų139.990%0.89776%0.764SS**  trans66.5152.8171.6-49.6-172.95.900116.8
479T29.5Very low29.9Very low118 Ų118134 Ų13472%0.72475%0.752SS**  cis-130.7140.73.116.20000110.6
480R30.6Very low30Very low236 Ų236138 Ų13889%0.89177%0.766SS**  44.5134.1102.5-82.7-174.6173.3-176.5-1.4116.2
481T30.1Very low30.1Very low119 Ų119130 Ų13073%0.7376%0.756SS**  cis-137.9148.918.6400000112.6
482R29.7Very low30.4Very low223 Ų223131.7 Ų131.784%0.84276%0.761SS**  51.4139.379-77.9-168.6152.3-158.1-4.9114.4
483I32.1Very low30.5Very low118 Ų118133.6 Ų133.661%0.60576%0.764SS**  cis-159.4139.38.4-116.5166000107
484T28.7Very low30.7Very low124 Ų124127.7 Ų127.776%0.76176%0.759SS**  74.1126.770.2-49.20000112.8
485V29.3Very low30.8Very low127 Ų127131 Ų13177%0.7777%0.769SS**  cis-144.7-108.311.756.80000116
486T29.6Very low31Very low116 Ų116132.5 Ų132.571%0.71277%0.774SS**  trans-155.8-169.6-169.6650000109.2
487P52.8Low31Very low110 Ų110132.4 Ų132.471%0.71477%0.767SS**  cis-130.9-144.4-19.840.1-19.3000112.1
488S26.2Very low30.9Very low114 Ų114137.1 Ų137.180%0.79777%0.773SS**  trans83.7158.7166.7-49.20000117.3
489A31.7Very low30.9Very low77 Ų77134 Ų13464%0.63676%0.763SS**  cis-174.1169.4-3100000107.6
490D29.9Very low31Very low170 Ų170136.1 Ų136.191%0.90976%0.764SS**  trans62.4159.3171.2-50.5-30.9000116.9
491G27.7Very low31Very low64 Ų64132.2 Ų132.266%0.6676%0.759SS**  cis-179.7163.8-8.200000113.2
492N31.3Very low31.1Very low144 Ų144131.7 Ų131.777%0.7775%0.752SS**  trans59.8132.3164.7-73.651.8000123
493D28.1Very low31.1Very low136 Ų136127.6 Ų127.673%0.72774%0.742SS**  42.3133129.4-49.4-35000120.7
494S30.7Very low31Very low115 Ų115131.9 Ų131.980%0.80475%0.751SS**  -169.8157.362.336.60000114.4
495N29.7Very low30.9Very low163 Ų163128.9 Ų128.987%0.87275%0.745SS**  trans-82137.2169.1-66.2-63.5000111.4
496V31.1Very low31Very low148 Ų148133.5 Ų133.590%0.89775%0.748SS**  trans-142.5148.9143.6-1800000108.5
497S30.1Very low30.9Very low102 Ų102133.2 Ų133.271%0.71375%0.751SS**  trans-122.5176.3-178.6-171.90000111.5
498M26.6Very low29.7Very low163 Ų163131.5 Ų131.580%0.80375%0.746SS**  trans106.7140.6150.8-130.372.3-172.900119.2
499D34.1Very low29.7Very low128 Ų128132.5 Ų132.568%0.68475%0.747SS**  trans-80.6152.1-175.6-46.7-97000115.3
500Q30.7Very low29.5Very low161 Ų161135.1 Ų135.175%0.75276%0.755SS**  -175.6156.5120-96.9154.580.400109.7
501I30.9Very low29.3Very low154 Ų154132.2 Ų132.279%0.7974%0.743SS**  -168.7112.380.5-83.4165000105.9
502L31.7Very low29.3Very low108 Ų108137.2 Ų137.257%0.56575%0.749SS**  72.5109.789.5-68.2168.3000117.6
503Q31.1Very low29Very low138 Ų138136.1 Ų136.165%0.64574%0.743SS**  trans65.7158.4131.9-63-172.537.200119
504R29.8Very low28.9Very low208 Ų208139.7 Ų139.779%0.78575%0.747SS**  cis-157.4167.9-0.1-120.7171.1-156.7-171.58.8106.5
505G26.3Very low28.7Very low61 Ų61139.3 Ų139.363%0.62974%0.744SS**  cis-161172.92.200000110.4
506R30Very low28.5Very low224 Ų224141 Ų14185%0.84574%0.744SS**  59.8135.399.7-67-171.7174.7-161.5-2.8115.7
507S28.8Very low28.2Very low109 Ų109138.6 Ų138.676%0.76273%0.734SS**  cis-174.3168.8-3.8-90.30000109.7
508A27Very low28Very low75 Ų75145 Ų14562%0.6274%0.742SS**  cis-178156.7-29.200000112
509T25.7Very low27.9Very low134 Ų134141.4 Ų141.482%0.82273%0.733SS**  trans70160.4153.853.60000123.4
510V27.2Very low27.4Very low133 Ų133142.6 Ų142.681%0.80674%0.739SS**  trans82.9144163.8-170.70000117.1
511V27.1Very low27.1Very low108 Ų108140.4 Ų140.466%0.65574%0.742SS**  -174.4158.4-50.71310000109.4
512H27.7Very low26.9Very low170 Ų170141.2 Ų141.279%0.78774%0.742SS**  trans70.4161.6175.7-66.4-35000115.8
513N25.6Very low26.8Very low120 Ų120142.4 Ų142.464%0.64275%0.754SS**  cis-148.1155.114.3-144.3-9.5000114.9
514R25.8Very low26.6Very low212 Ų212143.9 Ų143.980%0.876%0.761SS**  trans37.2121.8154.8-76.5157.8-164.3-135.7-1.6122.4
515S26.7Very low26.6Very low107 Ų107141.7 Ų141.775%0.74876%0.764SS**  trans-65.8165.3149370000113.3
516F24.4Very low26.7Very low199 Ų199145.8 Ų145.887%0.87377%0.772SS**  trans-147.6161.8135.7-114-78.1000111
517S25.7Very low26.8Very low97 Ų97140 Ų14068%0.67876%0.764SS**  trans-125.4155.3-178.41710000109.1
518W24.2Very low26.7Very low235 Ų235143.2 Ų143.289%0.8977%0.771SS**  trans169158.5147.7-89.814.7000109.3
519S24.3Very low26.9Very low89 Ų89146 Ų14662%0.62278%0.78SS**  cis-172.5144.7-33.254.40000109.2
520L25.1Very low27Very low152 Ų152149.8 Ų149.880%0.79678%0.78SS**  trans61.4111.9153.5-147.779.5000119.5Q522L520-Q522 HydrophobicContact CD1-CG 4.47Å
521S24.5Very low27.1Very low116 Ų116151.8 Ų151.881%0.81178%0.777SS**  -140.8132.8126.856.30000109.2
522Q26.9Very low27.2Very low171 Ų171153 Ų15380%0.79978%0.78SS**  trans-100.7134.5172.5-69.7176.5-52.200108.8L520L520-Q522 HydrophobicContact CD1-CG 4.47Å
523T27.9Very low27.3Very low132 Ų132151.4 Ų151.481%0.8178%0.777SS**  trans-141.396.216219.50000110.4
524Q28Very low27.4Very low170 Ų170150.3 Ų150.379%0.79479%0.785SS**  trans30.4121150.9-68.5171.1-34.500120
525N28.8Very low27.6Very low161 Ų161149.9 Ų149.986%0.86179%0.789SS**  trans-58.3136.6150.5-60.5-33.4000109.8
526N29Very low27.9Very low147 Ų147152.7 Ų152.779%0.78680%0.795SS**  trans-128.6113.5164.5-98.3-10.2000109.6
527P33.1Very low28Very low104 Ų104149.1 Ų149.168%0.67579%0.79SS**  trans-84.1153.7168.434.5-32.6000111.2
528L26.4Very low28.3Very low175 Ų175149.6 Ų149.692%0.91680%0.8SS**  trans45.4100156.9-65168.7000117.6
529V30.3Very low28.3Very low134 Ų134141.4 Ų141.481%0.81279%0.788SS**  trans-116.5114.7159.4176.20000108.8
530R29.2Very low28.5Very low214 Ų214145.1 Ų145.181%0.80880%0.8SS**  trans-68.2137.3158.3-78.7-173.8171.291.7-0.2107.8
531K28.1Very low28.7Very low175 Ų175145.1 Ų145.176%0.76180%0.796SS**  trans-103.589.8169-168.7-170.5174.7-155.20108.3D533K531-D533 IonicContact NZ-OD1 2.91Å
532D29.3Very low28.9Very low134 Ų134146.6 Ų146.672%0.71779%0.793SS**  trans-81.8121.3172.4-57.4-48.6000108.4
533D29.2Very low28.8Very low135 Ų135143 Ų14372%0.72279%0.787SS**  trans-79.2134.9178.9-79.8-38.8000111.3K531K531-D533 IonicContact NZ-OD1 2.91Å
534A28.4Very low28.7Very low98 Ų98141.9 Ų141.981%0.8178%0.784SS**  trans-123.1111.9177.800000111.1
535F31.3Very low28.8Very low202 Ų202138 Ų13889%0.88678%0.781SS**  trans-71138.8164.3-79.5-99.3000110.4
536L31.5Very low29.2Very low166 Ų166135.5 Ų135.587%0.86977%0.774SS**  trans-167.2176.9133.6-106.1167.5000111.6
537T27.9Very low29.2Very low124 Ų124135.6 Ų135.676%0.76177%0.774SS**  trans-118.7166.2-149.649.70000116.4
538A30.3Very low28.9Very low107 Ų107138.2 Ų138.288%0.88478%0.782SS**  trans77.1149.7169.400000116.8
539G26.1Very low29.1Very low63 Ų63137.6 Ų137.665%0.64978%0.775SS**  cis166.3166.5-7.300000112.8
540L28.2Very low29Very low167 Ų167142.9 Ų142.987%0.87478%0.78SS**  trans71.6157.8175.4-55.8162.8000117.5
541H28.4Very low29Very low153 Ų153137.9 Ų137.971%0.70878%0.778SS**  -166.2142.4-52-129.8-102000111.5
542I28.7Very low29Very low146 Ų146135 Ų13575%0.74978%0.78SS**  trans50124.6155.7-69169.3000122.4
543S24.7Very low29.1Very low95 Ų95133.9 Ų133.966%0.66478%0.782SS**  164.2123126.8-174.70000109
544S27Very low29.2Very low109 Ų109137.1 Ų137.176%0.76279%0.793SS**  64132.564.8110.90000113.8
545A28.8Very low29.3Very low89 Ų89136.7 Ų136.774%0.73679%0.79SS**  cis-144.9-128.9000000114.3
546P37.9Very low29.3Very low109 Ų109138.8 Ų138.871%0.70879%0.792SS**  -133.2175.1-116.842.4-24.1000118.8
547L28.5Very low29.1Very low148 Ų148138.1 Ų138.178%0.77578%0.784SS**  trans57.4135.3152.2-104.981.2000121.5
548N27.9Very low29.5Very low160 Ų160136.8 Ų136.886%0.85679%0.786SS**  -150.5146.5125.8-137.6-33.5000111.9
549Q29.6Very low29.6Very low162 Ų162142 Ų14276%0.75778%0.782SS**  trans-130133.7178.3-79.7-170.7-8.100111.1
550R28.1Very low30.1Very low244 Ų244144.4 Ų144.492%0.92179%0.787SS**  trans-177.7148.5160.1-103167.6-172.5-165.32.5107.8
551S28.5Very low30.5Very low109 Ų109141.8 Ų141.876%0.76278%0.78SS**  cis-166.1149.3-23.738.60000107.4
552S29Very low30.8Very low115 Ų115140.3 Ų140.380%0.80478%0.784SS**  trans-76.2138.1-17454.90000114.2
553S30.5Very low30.7Very low110 Ų110145 Ų14577%0.76979%0.792SS**  160.7127.9108.762.80000114.1
554Q32Very low31Very low204 Ų204150.4 Ų150.495%0.95380%0.804SS**  trans-166.4164138.5-107.1173.726.900108.8
555A30.6Very low31.1Very low89 Ų89150.7 Ų150.774%0.73681%0.806SS**  trans-139.3161.2-15900000114.9
556R30.5Very low31.2Very low246 Ų246156 Ų15693%0.92881%0.813SS**  trans71.4153.8-174.3-54.8179.8176.8175.4-1.1112.3
557E29.1Very low30.8Very low152 Ų152160 Ų16071%0.7182%0.818SS**  cis-141.2152.917.2-167.6174.1-99.500111.6R559E557-R559 IonicContact OE2-NH2 3.8Å
558A34.5Very low30.7Very low96 Ų96158.4 Ų158.479%0.79382%0.815SS**  trans-96138.5-176.500000112.8
559R32.8Very low30.7Very low215 Ų215159.8 Ų159.881%0.81181%0.814SS**  trans-135.7152.9170.9-71.6-167.5-178.2-165.31111.9E557E557-R559 IonicContact OE2-NH2 3.8Å
560P36Very low30.6Very low114 Ų114160.3 Ų160.374%0.7482%0.816SS**PPolyproline II helixtrans-93.2163.6-156.936.4-37.7000115.2
561P36.5Very low30.4Very low113 Ų113155.9 Ų155.973%0.73481%0.811SS**PPolyproline II helixtrans-68.2155.7173.229.3-36000113.1
562P34.7Very low30.3Very low121 Ų121158.8 Ų158.879%0.78682%0.817SS**PPolyproline II helixtrans-71.1143.6-175.128.6-35.3000113.4
563R28.5Very low30.3Very low245 Ų245158.5 Ų158.593%0.92581%0.814SS**PPolyproline II helixtrans-84122.3178.3-68.8179.2173.8178.6-2.5111.7
564F29.4Very low30.1Very low208 Ų208161.5 Ų161.591%0.91282%0.822SS**PPolyproline II helixtrans-71.1129.4164.7-86.8-94.7000111.4K566F564-K566 PolarHBondContact O-N 3.48Å
565S30.3Very low30Very low115 Ų115158.5 Ų158.580%0.80482%0.817SS**  trans-87.5104.9179.144.10000111.8K567S565-K567 PolarHBondContact O-N 3.47Å
566K31Very low29.8Very low202 Ų202158.8 Ų158.888%0.87882%0.82SS**  trans-64.4117.8168.6-71.1-179.4178177.70109.9F564F564-K566 PolarHBondContact O-N 3.48Å
567K28.8Very low29.6Very low191 Ų191150.6 Ų150.683%0.8381%0.812SS**  trans-112.7105.9153.8-82.3-167.3173.2-176.40109.2S565S565-K567 PolarHBondContact O-N 3.47Å
568V27.3Very low29.5Very low115 Ų115148.9 Ų148.970%0.69782%0.824SS**  trans-79.3137.9168.7177.90000107.9
569F26.5Very low29.6Very low190 Ų190148.1 Ų148.183%0.83383%0.825SS**  trans-122.9140155.3-94.1-81.6000108.7
570Q27.6Very low29.3Very low173 Ų173143.7 Ų143.781%0.80882%0.817SS**  trans-88.2143.1-168-66.7156.8-72.300111.1
571N25.3Very low29.2Very low151 Ų151144.6 Ų144.681%0.80782%0.823SS**  trans-71.1131.8161.9-75.7-17.1000109.2
572N26.5Very low28.8Very low169 Ų169148.8 Ų148.890%0.90482%0.824SS**  trans-117.8122.4155-97.8-9.2000107.7
573C27.6Very low28.5Very low110 Ų110147.9 Ų147.974%0.74383%0.827SS**  trans-107.7131.4176.2-58.40000108.8
574N27.3Very low28.5Very low172 Ų172146 Ų14692%0.9283%0.826SS**  trans-149.7154.1161.4-112.8-28.3000109.9
575V29.5Very low28.4Very low142 Ų142143.4 Ų143.486%0.86182%0.82SS**  trans-118.9128.6-158.4177.70000111.5
576A25.3Very low28.3Very low95 Ų95140.6 Ų140.679%0.78581%0.81SS**  trans178.4141.6139.600000113.3
577G27.3Very low28Very low74 Ų74134 Ų13476%0.76379%0.789SS**  trans79.9126.5131.400000120.8
578A26.1Very low28.5Very low116 Ų116127.7 Ų127.796%0.95976%0.76SS**  trans64.2160.716600000117
579G37.6Very low28.9Very low80 Ų80123.9 Ų123.983%0.82574%0.737SS**  trans-114.4148.9-17300000113.9
580D26.4Very low29.6Very low122 Ų122120.5 Ų120.565%0.65272%0.724SS**  trans-120.5124175-176.7-24.7000110.1R582D580-R582 PolarHBondContact O-N 3.24Å; D580-R582 WeakPolarHBondContact OD1-CB 3.39Å; D580-R582 WeakPolarHBondContact OD1-CD 3.46Å; D580-R582 WeakPolarHBondContact OD1-CG 3.39Å; D580-R582 PolarHBondContact OD1-N 2.83Å
581P33.6Very low30.2Very low133 Ų133113.7 Ų113.786%0.86470%0.698SS**SBendtrans-79.451.4-176.935.4-38.2000113.9
582R29Very low30.7Very low200 Ų200108 Ų10876%0.75567%0.665SS**  trans-125.326.6-174.3-73.2-176.766.8143.2-2.1116.7D580 K584D580-R582 PolarHBondContact O-N 3.24Å; D580-R582 WeakPolarHBondContact OD1-CB 3.39Å; D580-R582 WeakPolarHBondContact OD1-CD 3.46Å; D580-R582 WeakPolarHBondContact OD1-CG 3.39Å; D580-R582 PolarHBondContact OD1-N 2.83Å; R582-K584 VanDerWaalsContact C-N 3.25Å; R582-K584 PolarHBondContact O-N 3.42Å
583A27.9Very low31.3Very low102 Ų102100.8 Ų100.884%0.84363%0.631SS**  trans-68.971171.900000113.5L585A583-L585 PolarHBondContact O-N 3.23Å
584K28.2Very low31.7Very low207 Ų207101.6 Ų101.690%0.963%0.633SS**  trans-74.872.4169.4-78.4-168.5174.3-174.60111.3R582R582-K584 VanDerWaalsContact C-N 3.25Å; R582-K584 PolarHBondContact O-N 3.42Å
585L28.6Very low32.3Very low152 Ų15294.4 Ų94.480%0.79659%0.594SS**  trans-107.2123.8161-122.872.1000108.7A583 S587A583-L585 PolarHBondContact O-N 3.23Å; L585-S587 PolarHBondContact O-N 2.97Å
586G26.3Very low32.7Very low56 Ų5691.3 Ų91.358%0.57757%0.572SS**  trans-70.2120.1-173.500000112.4Y588G586-Y588 VanDerWaalsContact O-CD2 3.26Å; G586-Y588 WeakPolarHBondContact O-CD2 3.43Å
587S26.6Very low33.1Very low64 Ų6494.4 Ų94.445%0.44857%0.568SS.*  trans-81.3115.9159.358.30000108.9L585 Q590L585-S587 PolarHBondContact O-N 2.97Å; S587-Q590 PolarHBondContact OG-NE2 3.21Å
588Y37.9Very low33.6Very low58 Ų5895.6 Ų95.623%0.22756%0.561CS.*SBendtrans-88.2122.5-178.9-74.5-109.2000109.2Y37 K152 V191 G586Y37-Y588 AromaticContact CE2-CD1 3.72Å; Y37-Y588 HydrophobicContact CE2-CD1 3.72Å; Y37-Y588 AromaticContact CE2-CE1 3.6Å; Y37-Y588 HydrophobicContact CE2-CE1 3.6Å; K152-Y588 PolarHBondContact NZ-O 2.8Å; V191-Y588 HydrophobicContact CG1-CE1 4.12Å; V191-Y588 HydrophobicContact CG1-CE2 3.99Å; V191-Y588 VanDerWaalsContact CG1-OH 3.27Å; V191-Y588 WeakPolarHBondContact CG1-OH 3.42Å; V191-Y588 VanDerWaalsContact O-CD1 3.25Å; V191-Y588 WeakPolarHBondContact O-CD1 3.24Å; V191-Y588 WeakPolarHBondContact O-CD2 3.33Å; V191-Y588 WeakPolarHBondContact O-CE1 3.18Å; V191-Y588 VanDerWaalsContact O-CE2 3.27Å; V191-Y588 WeakPolarHBondContact O-CE2 3.47Å; G586-Y588 VanDerWaalsContact O-CD2 3.26Å; G586-Y588 WeakPolarHBondContact O-CD2 3.43Å
589T36.4Very low34.4Very low35 Ų3593.7 Ų93.722%0.21553%0.532CS..  trans73.2108.3-15978.30000116.3K152 S154 N155 D168K152-T589 VanDerWaalsContact CE-OG1 3.3Å; K152-T589 WeakPolarHBondContact CE-OG1 3.49Å; S154-T589 PolarHBondContact OG-OG1 3.37Å; N155-T589 VanDerWaalsContact OD1-CB 3.3Å; N155-T589 WeakPolarHBondContact OD1-CB 3.45Å; N155-T589 VanDerWaalsContact OD1-CG2 3.26Å; N155-T589 WeakPolarHBondContact OD1-CG2 3.34Å; N155-T589 PolarHBondContact OD1-OG1 2.96Å; D168-T589 HydrophobicContact CB-CG2 4.45Å; D168-T589 WeakPolarHBondContact OD2-CG2 3.47Å
590Q39.8Very low34.6Very low119 Ų11991.3 Ų91.356%0.55650%0.5SS*.  trans-134.8101.8154.3-72.4-171.613.200106K34 S587K34-Q590 CarbonylContact C-O 3.56Å; S587-Q590 PolarHBondContact OG-NE2 3.21Å
591A40.7Very low35.1Very low31 Ų3188 Ų8826%0.25648%0.482SS..  trans-133.9-19.2-166.300000115.1G33 V40G33-A591 WeakPolarHBondContact CA-O 3.33Å; G33-A591 PolarHBondContact N-O 2.81Å; V40-A591 HydrophobicContact CG2-CB 4.27Å
592Y36.7Very low35.5Very low30 Ų3086.3 Ų86.312%0.11847%0.466CS..SBendtrans-116.2157.6171.6-86-90.4000112I32 M108 D111 L157I32-Y592 HydrophobicContact CD1-CD1 3.95Å; I32-Y592 HydrophobicContact CD1-CE1 3.52Å; I32-Y592 CarbonylContact O-C 3.55Å; I32-Y592 VanDerWaalsContact O-C 3.23Å; M108-Y592 HydrophobicContact CB-CE1 4.14Å; M108-Y592 WeakPolarHBondContact O-CE1 3.33Å; D111-Y592 WeakPolarHBondContact OD2-CB 3.49Å; L157-Y592 HydrophobicContact CD1-CD2 4.14Å; L157-Y592 HydrophobicContact CD1-CE2 3.46Å; L157-Y592 VanDerWaalsContact CD1-CE2 3.46Å; L157-Y592 HydrophobicContact CD2-CD2 3.34Å; L157-Y592 HydrophobicContact CD2-CE2 3.61Å; L157-Y592 HydrophobicContact CD2-CG 4.13Å; L157-Y592 HydrophobicContact CG-CD2 4.33Å; L157-Y592 HydrophobicContact CG-CE2 4.13Å
593G38.4Very low36.1Very low18 Ų1880.4 Ų80.419%0.18645%0.449CS..  trans-100.8157.8-161.100000113.6I32 I595I32-G593 WeakPolarHBondContact O-CA 3.48Å; I32-G593 PolarHBondContact O-N 3.31Å; I32-G593 VanDerWaalsContact O-N 3.08Å; G593-I595 PolarHBondContact O-N 3.4Å
594T36.7Very low36.9Very low127 Ų12780.7 Ų80.778%0.77944%0.435SS*.  trans-67.197.5166.330.20000110.6N596T594-N596 PolarHBondContact O-N 3.13Å
595I39.6Very low37.4Very low21 Ų2179.3 Ų79.311%0.10843%0.425CS..  trans-50133.6165.7-64.6-178.3000109.2D109 T110 K118 G593 E599 L600D109-I595 HydrophobicContact CB-CD1 4.05Å; T110-I595 HydrophobicContact CG2-CD1 4.06Å; K118-I595 PolarHBondContact NZ-O 3.2Å; G593-I595 PolarHBondContact O-N 3.4Å; I595-E599 HydrophobicContact CG2-CB 3.4Å; I595-E599 VanDerWaalsContact CG2-CB 3.4Å; I595-L600 HydrophobicContact CG2-CB 4.28Å
596N37.2Very low37.9Very low77 Ų7777.5 Ų77.541%0.41242%0.423SS..  trans-71.9172.9-179.582.724.3000111.9T594 T598 E599 L600T594-N596 PolarHBondContact O-N 3.13Å; N596-T598 PolarHBondContact O-N 3.27Å; N596-T598 WeakPolarHBondContact OD1-CA 3.37Å; N596-T598 PolarHBondContact OD1-N 3.44Å; N596-T598 PolarHBondContact OD1-OG1 3.08Å; N596-E599 PolarHBondContact N-OE2 3.15Å; N596-E599 WeakPolarHBondContact OD1-CG 3.49Å; N596-E599 PolarHBondContact OD1-N 3.26Å; N596-L600 WeakPolarHBondContact O-CB 3.5Å; N596-L600 PolarHBondContact O-N 3.13Å
597K34.1Very low38.5Very low161 Ų16186.3 Ų86.370%0.744%0.439SS*.Hα-helixtrans-64.2-39.1-177.3-169177.7176.7-176.70112.7L600 D601K597-L600 WeakPolarHBondContact O-CB 3.39Å; K597-L600 PolarHBondContact O-N 3.28Å; K597-D601 VanDerWaalsContact O-CG 3.27Å; K597-D601 PolarHBondContact O-N 3.1Å
598T37.5Very low38.9Very low98 Ų9891.5 Ų91.560%0.60146%0.456SS*.Hα-helixtrans-73.1-39.6-176.2-8.30000113.4N596 L600 D601 N602N596-T598 PolarHBondContact O-N 3.27Å; N596-T598 WeakPolarHBondContact OD1-CA 3.37Å; N596-T598 PolarHBondContact OD1-N 3.44Å; N596-T598 PolarHBondContact OD1-OG1 3.08Å; T598-L600 PolarHBondContact O-N 2.95Å; T598-D601 PolarHBondContact O-N 2.97Å; T598-N602 PolarHBondContact O-N 2.88Å
599E43.7Very low38.7Very low76 Ų7697.6 Ų97.636%0.35549%0.486SS..Hα-helixtrans-61.5-36.7170.8-70.2170145.700110.1K30 I595 N596K30-E599 VanDerWaalsContact NZ-CD 3.33Å; K30-E599 IonicContact NZ-OE1 3.34Å; K30-E599 PolarHBondContact NZ-OE1 2.86Å; K30-E599 IonicContact NZ-OE2 3.1Å; K30-E599 PolarHBondContact NZ-OE2 2.88Å; I595-E599 HydrophobicContact CG2-CB 3.4Å; I595-E599 VanDerWaalsContact CG2-CB 3.4Å; N596-E599 PolarHBondContact N-OE2 3.15Å; N596-E599 WeakPolarHBondContact OD1-CG 3.49Å; N596-E599 PolarHBondContact OD1-N 3.26Å
600L41.9Very low38.7Very low30 Ų30105.9 Ų105.916%0.15752%0.519CS..Hα-helixtrans-72.3-39.7177.4-170.272.4000113.2K118 L121 I595 N596 K597 T598 N602 L603K118-L600 HydrophobicContact CD-CD1 4.32Å; K118-L600 HydrophobicContact CD-CD2 3.96Å; L121-L600 HydrophobicContact CD1-CD1 3.77Å; L121-L600 HydrophobicContact CD1-CD2 4.37Å; L121-L600 HydrophobicContact CD2-CD1 3.85Å; L121-L600 HydrophobicContact CD2-CD2 4.22Å; L121-L600 HydrophobicContact CD2-CG 4.13Å; L121-L600 HydrophobicContact CG-CD1 4.49Å; I595-L600 HydrophobicContact CG2-CB 4.28Å; N596-L600 WeakPolarHBondContact O-CB 3.5Å; N596-L600 PolarHBondContact O-N 3.13Å; K597-L600 WeakPolarHBondContact O-CB 3.39Å; K597-L600 PolarHBondContact O-N 3.28Å; T598-L600 PolarHBondContact O-N 2.95Å; L600-N602 PolarHBondContact O-N 3.47Å; L600-L603 VanDerWaalsContact O-CB 3.28Å; L600-L603 WeakPolarHBondContact O-CB 3.36Å; L600-L603 PolarHBondContact O-N 3.47Å; L600-L603 VanDerWaalsContact O-N 3.15Å
601D37.1Very low38.3Very low52 Ų52113.1 Ų113.128%0.27855%0.553SS.*Hα-helixtrans-64.6-25.1178.6-71.5-29.3000112.5K597 T598 I604 R605K597-D601 VanDerWaalsContact O-CG 3.27Å; K597-D601 PolarHBondContact O-N 3.1Å; T598-D601 PolarHBondContact O-N 2.97Å; D601-I604 PolarHBondContact O-N 2.97Å; D601-R605 WeakPolarHBondContact O-CG 3.46Å
602N41.8Very low38.2Very low99 Ų99117.3 Ų117.353%0.52957%0.568SS.*Hα-helixtrans-70.2-38.8173.1-72.5-18.6000112.3T598 L600 I604 R605T598-N602 PolarHBondContact O-N 2.88Å; L600-N602 PolarHBondContact O-N 3.47Å; N602-I604 PolarHBondContact O-N 2.67Å; N602-I604 VanDerWaalsContact O-N 3.11Å; N602-R605 PolarHBondContact O-N 3.24Å
603L41.4Very low38.3Very low75 Ų75121.8 Ų121.839%0.39359%0.592SS.*Hα-helixtrans-60.3-20.3175-140.4155.9000111.9T160 L600T160-L603 HydrophobicContact CG2-CD1 4.27Å; T160-L603 HydrophobicContact CG2-CG 4.44Å; L600-L603 VanDerWaalsContact O-CB 3.28Å; L600-L603 WeakPolarHBondContact O-CB 3.36Å; L600-L603 PolarHBondContact O-N 3.47Å; L600-L603 VanDerWaalsContact O-N 3.15Å
604I44Very low38.3Very low108 Ų108127.6 Ų127.655%0.55461%0.614SS**Hα-helixtrans-89.4-23.9177.8-61.8171.9000112.5L121 D601 N602L121-I604 HydrophobicContact CD2-CD1 4.49Å; D601-I604 PolarHBondContact O-N 2.97Å; N602-I604 PolarHBondContact O-N 2.67Å; N602-I604 VanDerWaalsContact O-N 3.11Å
605R38.3Very low38.4Very low179 Ų179127.6 Ų127.668%0.67561%0.605SS**Hα-helixtrans-92.2-21.6-169-72.5175.2-172.2-148.41.3115.2D601 N602 R607D601-R605 WeakPolarHBondContact O-CG 3.46Å; N602-R605 PolarHBondContact O-N 3.24Å; R605-R607 PolarHBondContact O-N 3.47Å
606C39.4Very low38.3Very low113 Ų113134.3 Ų134.376%0.76464%0.636SS**THydrogen-bonded Turntrans-74.352.9-173.8-68.60000115.2
607R40.3Very low38.4Very low242 Ų242138.1 Ų138.191%0.91365%0.65SS**THydrogen-bonded Turntrans-158.50.4162.1-117.2172.6-148.7-136.94.8117.5R605R605-R607 PolarHBondContact O-N 3.47Å
608H34.3Very low38.7Very low172 Ų172136.5 Ų136.580%0.79665%0.647SS**SBendtrans-90-1.4-177.8-91.1-67.1000116
609H33.4Very low38.8Very low187 Ų187139.5 Ų139.587%0.86665%0.65SS**SBendtrans-127.784.2173.1-78.2-6.5000111.4
610K35.8Very low38.4Very low208 Ų208144.8 Ų144.890%0.90468%0.675SS**  trans-176.977.7148.5-101.8170.7-176.7-175.40108
611Q32.6Very low38Very low272 Ų272155.2 Ų155.2100%1.27172%0.722SS**  trans-87.50140.9-73.2-177.7-48.400106.7

Retrieved 611 of 611 residues in 1359.4 ms (Link to these results)

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