A0A3Q0KM54_SCHMA Loading...

Ephrin RBD domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KM54, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 329 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
1M55.2Low70Confident212 Ų212118.5 Ų118.5100%1.04460%0.6SS**  0-37.60-77176.396.900114.5K3 T4M1-K3 PolarHBondContact O-N 3.46Å; M1-T4 PolarHBondContact O-OG1 3.39Å; M1-T4 VanDerWaalsContact O-OG1 3.14Å
2H55.1Low70.4Confident173 Ų173114.1 Ų114.180%0.80158%0.578SS**Hα-helixtrans-66.5-31.6-178.3-83.6-71.6000116.5T4 L6H2-T4 PolarHBondContact O-N 3.35Å; H2-L6 PolarHBondContact O-N 2.95Å
3K64Low70.3Confident181 Ų181110.8 Ų110.879%0.78756%0.562SS**Hα-helixtrans-65.9-38.6-177.6-72.2-174.6176.5-179.40113M1 I7M1-K3 PolarHBondContact O-N 3.46Å; K3-I7 WeakPolarHBondContact O-CD1 3.1Å; K3-I7 VanDerWaalsContact O-CG1 3.3Å; K3-I7 WeakPolarHBondContact O-CG1 3.31Å; K3-I7 PolarHBondContact O-N 2.96Å
4T71.4Confident70.6Confident94 Ų94107.7 Ų107.758%0.57755%0.547SS*.Hα-helixtrans-68.1-42.6179.917.40000112M1 H2 L6 I7 E8M1-T4 PolarHBondContact O-OG1 3.39Å; M1-T4 VanDerWaalsContact O-OG1 3.14Å; H2-T4 PolarHBondContact O-N 3.35Å; T4-L6 PolarHBondContact O-N 2.97Å; T4-I7 PolarHBondContact O-N 3.02Å; T4-E8 WeakPolarHBondContact O-CG 3Å; T4-E8 PolarHBondContact O-N 2.77Å
5C70.4Confident70.4Confident88 Ų88110.3 Ų110.360%0.59555%0.553SS**Hα-helixtrans-62.8-39.7178.4-173.20000112.8I7 E8 L9C5-I7 VanDerWaalsContact C-N 3.35Å; C5-I7 PolarHBondContact O-N 2.81Å; C5-E8 PolarHBondContact O-N 2.76Å; C5-L9 PolarHBondContact O-N 3.37Å
6L72.6Confident69.9Low112 Ų112105.6 Ų105.659%0.58653%0.53SS*.Hα-helixtrans-69.6-33.8179.5-161.2134.9000112.1H2 T4 I10H2-L6 PolarHBondContact O-N 2.95Å; T4-L6 PolarHBondContact O-N 2.97Å; L6-I10 HydrophobicContact CD2-CD1 3.52Å; L6-I10 HydrophobicContact CD2-CG1 4.4Å; L6-I10 HydrophobicContact CG-CD1 4.47Å; L6-I10 WeakPolarHBondContact O-CB 3.31Å; L6-I10 VanDerWaalsContact O-CG1 3.22Å; L6-I10 WeakPolarHBondContact O-CG1 3.42Å; L6-I10 PolarHBondContact O-N 2.86Å
7I77.2Confident69.6Low97 Ų97107.7 Ų107.750%0.49754%0.541SS..Hα-helixtrans-66.9-46.4173.5-67.5165.3000110.3K3 T4 C5 L9 I10 M11K3-I7 WeakPolarHBondContact O-CD1 3.1Å; K3-I7 VanDerWaalsContact O-CG1 3.3Å; K3-I7 WeakPolarHBondContact O-CG1 3.31Å; K3-I7 PolarHBondContact O-N 2.96Å; T4-I7 PolarHBondContact O-N 3.02Å; C5-I7 VanDerWaalsContact C-N 3.35Å; C5-I7 PolarHBondContact O-N 2.81Å; I7-L9 PolarHBondContact O-N 3.48Å; I7-I10 PolarHBondContact O-N 3.43Å; I7-M11 HydrophobicContact CG2-CG 4.2Å; I7-M11 WeakPolarHBondContact O-CB 3.43Å; I7-M11 VanDerWaalsContact O-CG 3.25Å; I7-M11 WeakPolarHBondContact O-CG 3.34Å; I7-M11 PolarHBondContact O-N 3.12Å
8E75.7Confident69.1Low119 Ų119107.8 Ų107.856%0.55654%0.542SS*.Hα-helixtrans-58.7-44.8176.7-71.3-62.6152.900112T4 C5 I10 M11 I12T4-E8 WeakPolarHBondContact O-CG 3Å; T4-E8 PolarHBondContact O-N 2.77Å; C5-E8 PolarHBondContact O-N 2.76Å; E8-I10 PolarHBondContact O-N 3.24Å; E8-M11 PolarHBondContact O-N 3.09Å; E8-I12 VanDerWaalsContact O-CG1 3.29Å; E8-I12 WeakPolarHBondContact O-CG1 3.47Å; E8-I12 PolarHBondContact O-N 3.14Å
9L75.2Confident68.9Low63 Ų63103.9 Ų103.933%0.3353%0.528SS..Hα-helixtrans-63.1-42.5177.5-164111.1000111.9C5 I7 I12 L13 I222C5-L9 PolarHBondContact O-N 3.37Å; I7-L9 PolarHBondContact O-N 3.48Å; L9-I12 PolarHBondContact O-N 2.9Å; L9-L13 HydrophobicContact CD2-CD1 3.98Å; L9-L13 HydrophobicContact CG-CD1 4.47Å; L9-L13 WeakPolarHBondContact O-CB 3.09Å; L9-L13 VanDerWaalsContact O-CG 3.29Å; L9-L13 WeakPolarHBondContact O-CG 3.24Å; L9-L13 PolarHBondContact O-N 3.1Å; L9-I222 HydrophobicContact CD1-CD1 3.96Å; L9-I222 HydrophobicContact CD1-CG1 4.34Å; L9-I222 HydrophobicContact CD1-CG2 4.37Å
10I78.4Confident68.8Low76 Ų76107.4 Ų107.439%0.3954%0.542SS..Hα-helixtrans-63.1-42.8174.3-71.9171.4000110.4L6 I7 E8 I12 L13 I14L6-I10 HydrophobicContact CD2-CD1 3.52Å; L6-I10 HydrophobicContact CD2-CG1 4.4Å; L6-I10 HydrophobicContact CG-CD1 4.47Å; L6-I10 WeakPolarHBondContact O-CB 3.31Å; L6-I10 VanDerWaalsContact O-CG1 3.22Å; L6-I10 WeakPolarHBondContact O-CG1 3.42Å; L6-I10 PolarHBondContact O-N 2.86Å; I7-I10 PolarHBondContact O-N 3.43Å; E8-I10 PolarHBondContact O-N 3.24Å; I10-I12 VanDerWaalsContact C-N 3.34Å; I10-I12 PolarHBondContact O-N 3.37Å; I10-L13 PolarHBondContact O-N 3.45Å; I10-I14 HydrophobicContact CG2-CD1 3.52Å; I10-I14 HydrophobicContact CG2-CG1 4.13Å; I10-I14 WeakPolarHBondContact O-CB 3.04Å; I10-I14 WeakPolarHBondContact O-CG1 3.43Å; I10-I14 PolarHBondContact O-N 3.38Å
11M75Confident69.4Low88 Ų88108 Ų10843%0.43354%0.539SS..Hα-helixtrans-64.1-38.3177.9-72-60-65.800112I7 E8 I14 K15I7-M11 HydrophobicContact CG2-CG 4.2Å; I7-M11 WeakPolarHBondContact O-CB 3.43Å; I7-M11 VanDerWaalsContact O-CG 3.25Å; I7-M11 WeakPolarHBondContact O-CG 3.34Å; I7-M11 PolarHBondContact O-N 3.12Å; E8-M11 PolarHBondContact O-N 3.09Å; M11-I14 PolarHBondContact O-N 3.36Å; M11-K15 WeakPolarHBondContact O-CB 3.49Å; M11-K15 WeakPolarHBondContact O-CG 3.37Å; M11-K15 PolarHBondContact O-N 3.1Å
12I74.4Confident70.9Confident66 Ų66102.6 Ų102.634%0.33851%0.51SS..Hα-helixtrans-65.1-45.2173.9-69164.4000110.7E8 L9 I10 I14 K15 L16 L218E8-I12 VanDerWaalsContact O-CG1 3.29Å; E8-I12 WeakPolarHBondContact O-CG1 3.47Å; E8-I12 PolarHBondContact O-N 3.14Å; L9-I12 PolarHBondContact O-N 2.9Å; I10-I12 VanDerWaalsContact C-N 3.34Å; I10-I12 PolarHBondContact O-N 3.37Å; I12-I14 VanDerWaalsContact C-N 3.35Å; I12-K15 PolarHBondContact O-N 3.27Å; I12-L16 HydrophobicContact CG2-CD1 3.92Å; I12-L16 WeakPolarHBondContact O-CB 3.15Å; I12-L16 WeakPolarHBondContact O-CD1 3.39Å; I12-L16 WeakPolarHBondContact O-CG 3.39Å; I12-L16 PolarHBondContact O-N 3.13Å; I12-L218 HydrophobicContact CG2-CD2 3.83Å
13L69.7Low72.6Confident71 Ų7198.5 Ų98.537%0.37249%0.494SS..Hα-helixtrans-62.8-41.3176-73168.1000111.7L9 I10 L16 I17L9-L13 HydrophobicContact CD2-CD1 3.98Å; L9-L13 HydrophobicContact CG-CD1 4.47Å; L9-L13 WeakPolarHBondContact O-CB 3.09Å; L9-L13 VanDerWaalsContact O-CG 3.29Å; L9-L13 WeakPolarHBondContact O-CG 3.24Å; L9-L13 PolarHBondContact O-N 3.1Å; I10-L13 PolarHBondContact O-N 3.45Å; L13-L16 WeakPolarHBondContact O-CB 3.26Å; L13-L16 PolarHBondContact O-N 3.38Å; L13-I17 WeakPolarHBondContact O-CD1 3.48Å; L13-I17 WeakPolarHBondContact O-CG1 3.09Å; L13-I17 PolarHBondContact O-N 2.81Å
14I74.1Confident73.9Confident68 Ų6891 Ų9135%0.34946%0.461SS..Hα-helixtrans-63.5-47.4175.2-72171.3000110I10 M11 I12 L16 I17 I18I10-I14 HydrophobicContact CG2-CD1 3.52Å; I10-I14 HydrophobicContact CG2-CG1 4.13Å; I10-I14 WeakPolarHBondContact O-CB 3.04Å; I10-I14 WeakPolarHBondContact O-CG1 3.43Å; I10-I14 PolarHBondContact O-N 3.38Å; M11-I14 PolarHBondContact O-N 3.36Å; I12-I14 VanDerWaalsContact C-N 3.35Å; I14-L16 PolarHBondContact O-N 3.12Å; I14-I17 PolarHBondContact O-N 3.29Å; I14-I17 VanDerWaalsContact O-N 3.09Å; I14-I18 HydrophobicContact CG2-CD1 3.31Å; I14-I18 HydrophobicContact CG2-CG1 4.01Å; I14-I18 WeakPolarHBondContact O-CB 3.47Å; I14-I18 VanDerWaalsContact O-CG1 3.29Å; I14-I18 WeakPolarHBondContact O-CG1 3.35Å; I14-I18 PolarHBondContact O-N 3.23Å
15K67.8Low74.7Confident147 Ų14788.3 Ų88.364%0.63944%0.443SS*.Hα-helixtrans-62.4-26.3174.8-77.1-175.4176.9-174.10113.2M11 I12M11-K15 WeakPolarHBondContact O-CB 3.49Å; M11-K15 WeakPolarHBondContact O-CG 3.37Å; M11-K15 PolarHBondContact O-N 3.1Å; I12-K15 PolarHBondContact O-N 3.27Å
16L62.5Low75.7Confident35 Ų3584.1 Ų84.118%0.18342%0.415CS..Hα-helixtrans-72.6-39.2172.6-85.3154.3000112.1I12 L13 I14 K215I12-L16 HydrophobicContact CG2-CD1 3.92Å; I12-L16 WeakPolarHBondContact O-CB 3.15Å; I12-L16 WeakPolarHBondContact O-CD1 3.39Å; I12-L16 WeakPolarHBondContact O-CG 3.39Å; I12-L16 PolarHBondContact O-N 3.13Å; L13-L16 WeakPolarHBondContact O-CB 3.26Å; L13-L16 PolarHBondContact O-N 3.38Å; I14-L16 PolarHBondContact O-N 3.12Å; L16-K215 HydrophobicContact CD2-CD 3.6Å; L16-K215 HydrophobicContact CD2-CG 3.92Å; L16-K215 HydrophobicContact CG-CD 4.23Å
17I64.2Low76.5Confident141 Ų14184.2 Ų84.272%0.72341%0.408SS*.Hα-helixtrans-81.1-32.4-177.4-63.6162.4000111.4L13 I14 A19L13-I17 WeakPolarHBondContact O-CD1 3.48Å; L13-I17 WeakPolarHBondContact O-CG1 3.09Å; L13-I17 PolarHBondContact O-N 2.81Å; I14-I17 PolarHBondContact O-N 3.29Å; I14-I17 VanDerWaalsContact O-N 3.09Å; I17-A19 VanDerWaalsContact C-N 3.3Å; I17-A19 PolarHBondContact O-N 3.33Å
18I61.2Low77Confident109 Ų10979.6 Ų79.656%0.55939%0.385SS*.  trans-83.91-178.2-63.5-178.2000112.5I14 E20I14-I18 HydrophobicContact CG2-CD1 3.31Å; I14-I18 HydrophobicContact CG2-CG1 4.01Å; I14-I18 WeakPolarHBondContact O-CB 3.47Å; I14-I18 VanDerWaalsContact O-CG1 3.29Å; I14-I18 WeakPolarHBondContact O-CG1 3.35Å; I14-I18 PolarHBondContact O-N 3.23Å; I18-E20 PolarHBondContact O-N 2.66Å
19A64.2Low77.4Confident34 Ų3474.5 Ų74.528%0.28136%0.361SS..  trans-59106.8173.500000109.8I17 Y21I17-A19 VanDerWaalsContact C-N 3.3Å; I17-A19 PolarHBondContact O-N 3.33Å; A19-Y21 HydrophobicContact CB-CD2 4.47Å; A19-Y21 HydrophobicContact CB-CE1 3.97Å; A19-Y21 HydrophobicContact CB-CE2 3.74Å; A19-Y21 VanDerWaalsContact CB-CZ 3.45Å; A19-Y21 WeakPolarHBondContact CB-OH 3.03Å; A19-Y21 WeakPolarHBondContact O-CD2 3.46Å; A19-Y21 PolarHBondContact O-N 3.4Å
20E67.7Low77.8Confident173 Ų17373.1 Ų73.181%0.80836%0.359SS*.  trans-7789.6179.5-73.7-176.1178.100108.7I18I18-E20 PolarHBondContact O-N 2.66Å
21Y81.9Confident78Confident121 Ų12174.3 Ų74.348%0.47537%0.374SS..PPolyproline II helixtrans-78.3139.1170.5-55.1-62000109.9A19 E46 G47A19-Y21 HydrophobicContact CB-CD2 4.47Å; A19-Y21 HydrophobicContact CB-CE1 3.97Å; A19-Y21 HydrophobicContact CB-CE2 3.74Å; A19-Y21 VanDerWaalsContact CB-CZ 3.45Å; A19-Y21 WeakPolarHBondContact CB-OH 3.03Å; A19-Y21 WeakPolarHBondContact O-CD2 3.46Å; A19-Y21 PolarHBondContact O-N 3.4Å; Y21-E46 WeakPolarHBondContact CD1-O 3.31Å; Y21-E46 VanDerWaalsContact CE1-O 3.28Å; Y21-E46 WeakPolarHBondContact CE1-O 3.45Å; Y21-G47 WeakPolarHBondContact CB-O 3.11Å; Y21-G47 VanDerWaalsContact CD1-CA 3.49Å; Y21-G47 WeakPolarHBondContact CD1-O 3.44Å
22K87.2Confident78.5Confident98 Ų9871.2 Ų71.243%0.42636%0.359SS..PPolyproline II helixtrans-102.1145.3179.5-64.7-175.8179.9-177.50111.3D48 N49K22-D48 PolarHBondContact N-OD1 2.69Å; K22-D48 CarbonylContact O-C 3.55Å; K22-D48 WeakPolarHBondContact O-CA 3.43Å; K22-D48 WeakPolarHBondContact O-CB 3.46Å; K22-N49 PolarHBondContact O-N 2.75Å
23D90.1Very high78.9Confident87 Ų8770.5 Ų70.547%0.46536%0.36SS..EExtended strand (participates in β ladder)trans-97119.8171.4-67.3-13.1000109.4N49 I51D23-N49 WeakPolarHBondContact OD1-CB 3.37Å; D23-N49 PolarHBondContact OD1-ND2 3.1Å; D23-I51 HydrophobicContact CB-CD1 4.06Å
24H90.1Very high79.6Confident23 Ų2367.2 Ų67.211%0.10634%0.343CS..EExtended strand (participates in β ladder)trans-103.5101.1177.5-57.9-89.6000109D48 N49 L50 I51 L158H24-D48 IonicContact CD2-OD2 3.33Å; H24-D48 IonicContact CE1-OD2 2.83Å; H24-D48 IonicContact NE2-OD2 3.71Å; H24-D48 PolarHBondContact NE2-OD2 2.6Å; H24-N49 PolarHBondContact N-O 3.49Å; H24-L50 HydrophobicContact CB-CD2 3.74Å; H24-I51 PolarHBondContact O-N 3.32Å; H24-L158 HydrophobicContact CB-CD1 4.44Å
25I90Very high80.1Confident39 Ų3964.5 Ų64.520%0.233%0.328CS..EExtended strand (participates in β ladder)trans-89.3122-177.1-57174.2000109.8Y27 I51 I53 L158 I162I25-Y27 HydrophobicContact CG2-CE2 4.34Å; I25-I51 HydrophobicContact CG1-CB 4.35Å; I25-I51 HydrophobicContact CG1-CD1 4.32Å; I25-I53 HydrophobicContact CG2-CD1 3.63Å; I25-I53 HydrophobicContact CG2-CG1 4.32Å; I25-L158 WeakPolarHBondContact O-CD2 3.41Å; I25-I162 HydrophobicContact CD1-CD1 4.08Å
26I90.5Very high80.6Confident0 Ų065.8 Ų65.80%034%0.337CS..EExtended strand (participates in β ladder)trans-120.1106.1-178-56.2158.9000108W28 F35 I51 F52 I53 L137 F139I26-W28 HydrophobicContact CG2-CE3 4.06Å; I26-W28 HydrophobicContact CG2-CZ3 4.49Å; I26-W28 PolarHBondContact O-N 2.78Å; I26-W28 VanDerWaalsContact O-N 3.15Å; I26-F35 HydrophobicContact CG2-CZ 4.46Å; I26-I51 PolarHBondContact N-O 3.07Å; I26-F52 HydrophobicContact CB-CD1 4Å; I26-F52 HydrophobicContact CB-CE1 4.26Å; I26-F52 HydrophobicContact CD1-CD1 4.05Å; I26-F52 HydrophobicContact CD1-CE1 3.5Å; I26-F52 HydrophobicContact CD1-CZ 3.81Å; I26-F52 HydrophobicContact CG2-CD1 4.1Å; I26-F52 HydrophobicContact CG2-CE1 4.26Å; I26-F52 WeakPolarHBondContact O-CA 3.27Å; I26-I53 PolarHBondContact O-N 2.82Å; I26-L137 HydrophobicContact CD1-CD1 4.36Å; I26-L137 HydrophobicContact CG2-CD1 3.88Å; I26-F139 HydrophobicContact CD1-CE2 3.85Å; I26-F139 HydrophobicContact CD1-CZ 3.48Å; I26-F139 VanDerWaalsContact CD1-CZ 3.48Å
27Y89.1Confident81.4Confident113 Ų11369.3 Ų69.344%0.44335%0.352SS..EExtended strand (participates in β ladder)trans-67.4113.1165.7-67.1-76.4000108.5I25 D29 N32 I53I25-Y27 HydrophobicContact CG2-CE2 4.34Å; Y27-D29 PolarHBondContact O-N 2.81Å; Y27-N32 PolarHBondContact N-ND2 3Å; Y27-N32 WeakPolarHBondContact O-CB 3.32Å; Y27-N32 PolarHBondContact O-ND2 2.8Å; Y27-I53 HydrophobicContact CD1-CB 4.12Å; Y27-I53 HydrophobicContact CD1-CG2 4.23Å; Y27-I53 HydrophobicContact CE1-CB 4.35Å; Y27-I53 HydrophobicContact CE1-CD1 4.22Å; Y27-I53 HydrophobicContact CE1-CG2 4.24Å
28W88.4Confident81.9Confident0 Ų065.4 Ų65.40%033%0.333CS..EExtended strand (participates in β ladder)trans-80.564.2-178.4-158.7-116.7000109.5I26 F35 F52 I53 R62 L64 F123 A125 I135 L137I26-W28 HydrophobicContact CG2-CE3 4.06Å; I26-W28 HydrophobicContact CG2-CZ3 4.49Å; I26-W28 PolarHBondContact O-N 2.78Å; I26-W28 VanDerWaalsContact O-N 3.15Å; W28-F35 HydrophobicContact CD2-CZ 4.42Å; W28-F35 HydrophobicContact CE3-CE1 4.39Å; W28-F35 AromaticContact CE3-CZ 3.72Å; W28-F35 HydrophobicContact CE3-CZ 3.72Å; W28-F35 HydrophobicContact CH2-CE1 4.44Å; W28-F35 AromaticContact CZ3-CE1 3.99Å; W28-F35 HydrophobicContact CZ3-CE1 3.99Å; W28-F35 AromaticContact CZ3-CZ 3.78Å; W28-F35 HydrophobicContact CZ3-CZ 3.78Å; W28-F52 HydrophobicContact CD2-CD1 4.45Å; W28-F52 AromaticContact CE3-CD1 3.71Å; W28-F52 HydrophobicContact CE3-CD1 3.71Å; W28-F52 HydrophobicContact CE3-CE1 4.02Å; W28-F52 HydrophobicContact CZ3-CD1 4.05Å; W28-F52 AromaticContact CZ3-CE1 3.86Å; W28-F52 HydrophobicContact CZ3-CE1 3.86Å; W28-I53 PolarHBondContact N-O 2.81Å; W28-R62 WeakPolarHBondContact O-CD 3.05Å; W28-L64 HydrophobicContact CD2-CD1 3.87Å; W28-L64 VanDerWaalsContact CE2-CD1 3.47Å; W28-L64 HydrophobicContact CE3-CD1 4Å; W28-L64 HydrophobicContact CH2-CD1 3.47Å; W28-L64 VanDerWaalsContact CH2-CD1 3.47Å; W28-L64 HydrophobicContact CZ2-CD1 3.29Å; W28-L64 HydrophobicContact CZ3-CD1 3.81Å; W28-F123 HydrophobicContact CH2-CB 3.9Å; W28-F123 HydrophobicContact CZ3-CB 4.37Å; W28-A125 HydrophobicContact CZ2-CB 4.3Å; W28-I135 HydrophobicContact CD2-CG2 4.3Å; W28-I135 HydrophobicContact CH2-CG2 4.19Å; W28-I135 HydrophobicContact CZ2-CG2 3.89Å; W28-L137 HydrophobicContact CZ3-CD1 4.2Å
29D84.5Confident82.8Confident13 Ų1361.5 Ų61.57%0.0732%0.315CS..SBendtrans-133.9148.3-178.9-163.6111.5000111.1Y27 S31 N32 F35 S55 R62Y27-D29 PolarHBondContact O-N 2.81Å; D29-S31 PolarHBondContact O-N 3.26Å; D29-S31 WeakPolarHBondContact OD2-CB 3.15Å; D29-S31 PolarHBondContact OD2-N 3.29Å; D29-S31 PolarHBondContact OD2-OG 2.99Å; D29-S31 VanDerWaalsContact OD2-OG 3.12Å; D29-N32 WeakPolarHBondContact O-CB 3.2Å; D29-N32 PolarHBondContact O-N 2.95Å; D29-N32 VanDerWaalsContact O-N 3.13Å; D29-F35 WeakPolarHBondContact O-CD2 2.96Å; D29-F35 WeakPolarHBondContact O-CE2 3.12Å; D29-S55 WeakPolarHBondContact OD1-CB 3.28Å; D29-S55 PolarHBondContact OD1-OG 3.47Å; D29-R62 VanDerWaalsContact CA-CZ 3.41Å; D29-R62 VanDerWaalsContact CA-NH1 3.28Å; D29-R62 IonicContact OD1-CZ 3.11Å; D29-R62 IonicContact OD1-NH1 3.02Å; D29-R62 PolarHBondContact OD1-NH1 3.49Å; D29-R62 IonicContact OD1-NH2 3.25Å; D29-R62 PolarHBondContact OD1-NH2 3.17Å; D29-R62 IonicContact OD2-CZ 3.3Å; D29-R62 VanDerWaalsContact OD2-CZ 3.25Å; D29-R62 IonicContact OD2-NH1 3.95Å; D29-R62 PolarHBondContact OD2-NH1 2.91Å; D29-R62 IonicContact OD2-NH2 2.68Å; D29-R62 PolarHBondContact OD2-NH2 3.15Å
30A83.4Confident83.3Confident33 Ų3366 Ų6627%0.27333%0.334SS..THydrogen-bonded Turntrans-64.6-19.6171.700000113.3N133 I135A30-N133 HydrophobicContact CB-CB 4.03Å; A30-N133 WeakPolarHBondContact CB-ND2 3.07Å; A30-I135 HydrophobicContact CB-CD1 3.91Å
31S82.7Confident84.3Confident101 Ų10160.9 Ų60.971%0.70631%0.31SS*.THydrogen-bonded Turntrans-77.2-6.9174.867.70000113.4D29D29-S31 PolarHBondContact O-N 3.26Å; D29-S31 WeakPolarHBondContact OD2-CB 3.15Å; D29-S31 PolarHBondContact OD2-N 3.29Å; D29-S31 PolarHBondContact OD2-OG 2.99Å; D29-S31 VanDerWaalsContact OD2-OG 3.12Å
32N84.1Confident84.7Confident24 Ų2455.7 Ų55.713%0.12829%0.29CS..SBendtrans-77.7123.4177.1-173.3-15.9000109.7Y27 D29 I34 F35Y27-N32 PolarHBondContact N-ND2 3Å; Y27-N32 WeakPolarHBondContact O-CB 3.32Å; Y27-N32 PolarHBondContact O-ND2 2.8Å; D29-N32 WeakPolarHBondContact O-CB 3.2Å; D29-N32 PolarHBondContact O-N 2.95Å; D29-N32 VanDerWaalsContact O-N 3.13Å; N32-I34 HydrophobicContact CB-CG2 4.3Å; N32-I34 PolarHBondContact O-N 3.42Å; N32-I34 VanDerWaalsContact O-N 3.1Å; N32-I34 WeakPolarHBondContact OD1-CG2 3.36Å; N32-I34 PolarHBondContact OD1-N 2.92Å; N32-F35 HydrophobicContact CB-CD2 3.81Å; N32-F35 HydrophobicContact CB-CE2 3.83Å; N32-F35 PolarHBondContact O-N 2.04Å; N32-F35 VanDerWaalsContact O-N 3.09Å
33S84.1Confident84.9Confident50 Ų5056.5 Ų56.535%0.3529%0.291SS..Hα-helixtrans-57.5-25.8-176.754.80000113.2F35 E36 E37S33-F35 PolarHBondContact O-N 3.38Å; S33-F35 VanDerWaalsContact O-N 3.14Å; S33-E36 WeakPolarHBondContact O-CB 3.35Å; S33-E36 PolarHBondContact O-N 3.36Å; S33-E37 PolarHBondContact O-N 3.03Å
34I84.5Confident85Confident3 Ų352.4 Ų52.42%0.01527%0.27CS..Hα-helixtrans-57.9-30177.3-155.4172000112.9N32 N38 P39 L42 L137 L158N32-I34 HydrophobicContact CB-CG2 4.3Å; N32-I34 PolarHBondContact O-N 3.42Å; N32-I34 VanDerWaalsContact O-N 3.1Å; N32-I34 WeakPolarHBondContact OD1-CG2 3.36Å; N32-I34 PolarHBondContact OD1-N 2.92Å; I34-N38 PolarHBondContact O-N 2.87Å; I34-P39 HydrophobicContact CG1-CG 4.11Å; I34-P39 WeakPolarHBondContact O-CD 2.89Å; I34-L42 HydrophobicContact CD1-CD1 3.73Å; I34-L137 HydrophobicContact CD1-CD1 4.18Å; I34-L137 HydrophobicContact CD1-CD2 4.13Å; I34-L137 HydrophobicContact CG1-CD2 4.07Å; I34-L137 HydrophobicContact CG2-CD1 4.31Å; I34-L137 HydrophobicContact CG2-CD2 4.44Å; I34-L158 HydrophobicContact CD1-CD2 4.31Å
35F84.4Confident85Confident10 Ų1054.7 Ų54.74%0.04428%0.283CS..Hα-helixtrans-83.8-21.2178-57-66.7000112.8I26 W28 D29 N32 S33 I135 L137I26-F35 HydrophobicContact CG2-CZ 4.46Å; W28-F35 HydrophobicContact CD2-CZ 4.42Å; W28-F35 HydrophobicContact CE3-CE1 4.39Å; W28-F35 AromaticContact CE3-CZ 3.72Å; W28-F35 HydrophobicContact CE3-CZ 3.72Å; W28-F35 HydrophobicContact CH2-CE1 4.44Å; W28-F35 AromaticContact CZ3-CE1 3.99Å; W28-F35 HydrophobicContact CZ3-CE1 3.99Å; W28-F35 AromaticContact CZ3-CZ 3.78Å; W28-F35 HydrophobicContact CZ3-CZ 3.78Å; D29-F35 WeakPolarHBondContact O-CD2 2.96Å; D29-F35 WeakPolarHBondContact O-CE2 3.12Å; N32-F35 HydrophobicContact CB-CD2 3.81Å; N32-F35 HydrophobicContact CB-CE2 3.83Å; N32-F35 PolarHBondContact O-N 2.04Å; N32-F35 VanDerWaalsContact O-N 3.09Å; S33-F35 PolarHBondContact O-N 3.38Å; S33-F35 VanDerWaalsContact O-N 3.14Å; F35-I135 HydrophobicContact CD1-CB 4.37Å; F35-I135 HydrophobicContact CD1-CG2 4.04Å; F35-I135 HydrophobicContact CD2-CG2 4.46Å; F35-I135 HydrophobicContact CE1-CB 4.35Å; F35-I135 HydrophobicContact CE1-CG2 3.55Å; F35-I135 HydrophobicContact CE2-CG2 4.06Å; F35-I135 HydrophobicContact CG-CG2 4.46Å; F35-I135 HydrophobicContact CZ-CG2 3.6Å; F35-L137 HydrophobicContact CD1-CD2 4.4Å; F35-L137 HydrophobicContact CD1-CG 4.25Å; F35-L137 HydrophobicContact CE1-CD1 3.81Å; F35-L137 HydrophobicContact CE1-CD2 4.28Å; F35-L137 HydrophobicContact CE1-CG 3.68Å; F35-L137 HydrophobicContact CZ-CD1 4.15Å; F35-L137 HydrophobicContact CZ-CG 4.49Å
36E78.9Confident85Confident175 Ų17556.2 Ų56.282%0.81829%0.289SS*.Hα-helixtrans-77.1-42.2173.1-173.3172-169.700110.7S33 N38S33-E36 WeakPolarHBondContact O-CB 3.35Å; S33-E36 PolarHBondContact O-N 3.36Å; E36-N38 PolarHBondContact O-N 2.84Å
37E77.7Confident84.9Confident109 Ų10956.5 Ų56.551%0.50929%0.292SS..Hα-helixtrans-64.1-28.6172.7-69.7176.3-166.600112.2S33S33-E37 PolarHBondContact O-N 3.03Å
38N75.6Confident85Confident59 Ų5951.2 Ų51.232%0.31627%0.272SS..  trans47.760179.3-176.745.3000112.6I34 E36 D40 N134I34-N38 PolarHBondContact O-N 2.87Å; E36-N38 PolarHBondContact O-N 2.84Å; N38-D40 PolarHBondContact O-N 3.11Å; N38-N134 PolarHBondContact OD1-ND2 2.89Å
39P78.9Confident85.3Confident27 Ų2753.3 Ų53.318%0.17528%0.282CS..  trans-62.7133.9177.628-33.5000109.7I34 L42 L137I34-P39 HydrophobicContact CG1-CG 4.11Å; I34-P39 WeakPolarHBondContact O-CD 2.89Å; P39-L42 HydrophobicContact CB-CD2 3.97Å; P39-L42 HydrophobicContact CB-CG 4.36Å; P39-L42 HydrophobicContact CG-CD1 4.35Å; P39-L42 HydrophobicContact CG-CD2 3.99Å; P39-L42 HydrophobicContact CG-CG 4.15Å; P39-L137 HydrophobicContact CG-CD2 4.03Å
40D76.5Confident85.7Confident127 Ų12752.7 Ų52.768%0.67928%0.279SS*.SBendtrans-62.4-49.8178.8-79.3-33.8000111N38 K73 S138N38-D40 PolarHBondContact O-N 3.11Å; D40-K73 PolarHBondContact O-NZ 3Å; D40-S138 WeakPolarHBondContact O-CB 3.39Å
41E87.6Confident86.2Confident66 Ų6652.3 Ų52.331%0.30827%0.273SS..  trans-146.2135.8-179.2-61.3-175.4169.300110.4K140E41-K140 WeakPolarHBondContact OE2-CD 3.28Å; E41-K140 IonicContact OE2-NZ 4Å
42L90.8Very high86.6Confident13 Ų1347.5 Ų47.57%0.06824%0.239CC..EExtended strand (participates in β ladder)trans-104.9139.5172.5-64.4170.7000109.2I34 P39 L137 S138 F139 K140 V154I34-L42 HydrophobicContact CD1-CD1 3.73Å; P39-L42 HydrophobicContact CB-CD2 3.97Å; P39-L42 HydrophobicContact CB-CG 4.36Å; P39-L42 HydrophobicContact CG-CD1 4.35Å; P39-L42 HydrophobicContact CG-CD2 3.99Å; P39-L42 HydrophobicContact CG-CG 4.15Å; L42-L137 HydrophobicContact CD1-CD2 4.08Å; L42-S138 PolarHBondContact N-O 3.26Å; L42-F139 HydrophobicContact CB-CD1 3.69Å; L42-F139 HydrophobicContact CB-CE1 3.62Å; L42-F139 HydrophobicContact CB-CG 4.44Å; L42-F139 HydrophobicContact CB-CZ 4.3Å; L42-F139 HydrophobicContact CD1-CD1 4.45Å; L42-F139 HydrophobicContact CD1-CE1 3.66Å; L42-F139 HydrophobicContact CD1-CE2 4.27Å; L42-F139 HydrophobicContact CD1-CZ 3.54Å; L42-F139 HydrophobicContact CG-CE1 4.3Å; L42-F139 CarbonylContact O-C 3.49Å; L42-F139 VanDerWaalsContact O-CA 3.27Å; L42-F139 WeakPolarHBondContact O-CA 3.13Å; L42-K140 PolarHBondContact O-N 2.82Å; L42-V154 HydrophobicContact CD2-CG1 3.67Å
43Y91.6Very high86.8Confident114 Ų11448.2 Ų48.245%0.44724%0.242SC..EExtended strand (participates in β ladder)trans-101.5130.6-179.4-67.2-85.8000110.6K140Y43-K140 WeakPolarHBondContact CA-O 3.46Å; Y43-K140 HydrophobicContact CD1-CB 4.27Å; Y43-K140 HydrophobicContact CE1-CB 4.25Å; Y43-K140 HydrophobicContact CE1-CD 4.05Å; Y43-K140 HydrophobicContact CE1-CG 4.32Å
44V91.6Very high86.9Confident2 Ų246.2 Ų46.21%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-127.4151179.1-73.80000110.2L50 V103 F115 F139 K140 L141 A142V44-L50 HydrophobicContact CG1-CD2 3.94Å; V44-V103 HydrophobicContact CB-CG1 4.47Å; V44-V103 HydrophobicContact CB-CG2 4.13Å; V44-V103 HydrophobicContact CG2-CB 4.5Å; V44-V103 HydrophobicContact CG2-CG1 3.82Å; V44-V103 HydrophobicContact CG2-CG2 3.87Å; V44-F115 HydrophobicContact CG2-CD1 4.41Å; V44-F115 HydrophobicContact CG2-CE1 4.44Å; V44-F139 HydrophobicContact CG1-CD1 3.53Å; V44-F139 HydrophobicContact CG1-CE1 3.91Å; V44-F139 HydrophobicContact CG2-CB 4.3Å; V44-F139 HydrophobicContact CG2-CD1 4.24Å; V44-K140 PolarHBondContact N-O 3.48Å; V44-L141 WeakPolarHBondContact O-CA 3.48Å; V44-A142 PolarHBondContact O-N 3.22Å
45N91Very high86.7Confident70 Ų7047.8 Ų47.837%0.37424%0.239SC..  trans-90.5156.6177.5-60.6-48.3000110.9G47 D48 V103 A142N45-G47 PolarHBondContact O-N 2.89Å; N45-D48 PolarHBondContact N-OD2 3.2Å; N45-D48 WeakPolarHBondContact O-CB 2.84Å; N45-D48 PolarHBondContact O-N 3.41Å; N45-V103 WeakPolarHBondContact O-CG1 3.49Å; N45-A142 WeakPolarHBondContact OD1-CB 3.34Å
46E89.3Confident86.3Confident72 Ų7254 Ų5434%0.33628%0.278SS..THydrogen-bonded Turntrans-60.1128.8173.2-172.472.1173.300109.6Y21 S104 R105 L141Y21-E46 WeakPolarHBondContact CD1-O 3.31Å; Y21-E46 VanDerWaalsContact CE1-O 3.28Å; Y21-E46 WeakPolarHBondContact CE1-O 3.45Å; E46-S104 VanDerWaalsContact OE1-CA 3.29Å; E46-S104 WeakPolarHBondContact OE1-CA 3.48Å; E46-R105 PolarHBondContact OE1-N 2.86Å; E46-R105 PolarHBondContact OE2-N 2.82Å; E46-L141 HydrophobicContact CB-CD1 4.12Å
47G88.5Confident85.9Confident6 Ų649.8 Ų49.86%0.06226%0.261CS..THydrogen-bonded Turntrans88.8-8.1-179.400000116Y21 N45 V103Y21-G47 WeakPolarHBondContact CB-O 3.11Å; Y21-G47 VanDerWaalsContact CD1-CA 3.49Å; Y21-G47 WeakPolarHBondContact CD1-O 3.44Å; N45-G47 PolarHBondContact O-N 2.89Å; G47-V103 WeakPolarHBondContact CA-O 3.33Å; G47-V103 PolarHBondContact N-O 3.15Å
48D91.8Very high85.2Confident2 Ų251.7 Ų51.71%0.01126%0.264CS..  trans-58.9154.1169.2-76.1-7.2000111K22 H24 N45 V103K22-D48 PolarHBondContact N-OD1 2.69Å; K22-D48 CarbonylContact O-C 3.55Å; K22-D48 WeakPolarHBondContact O-CA 3.43Å; K22-D48 WeakPolarHBondContact O-CB 3.46Å; H24-D48 IonicContact CD2-OD2 3.33Å; H24-D48 IonicContact CE1-OD2 2.83Å; H24-D48 IonicContact NE2-OD2 3.71Å; H24-D48 PolarHBondContact NE2-OD2 2.6Å; N45-D48 PolarHBondContact N-OD2 3.2Å; N45-D48 WeakPolarHBondContact O-CB 2.84Å; N45-D48 PolarHBondContact O-N 3.41Å; D48-V103 HydrophobicContact CB-CB 4.47Å; D48-V103 HydrophobicContact CB-CG2 4.24Å; D48-V103 WeakPolarHBondContact O-CB 3.33Å; D48-V103 WeakPolarHBondContact O-CG2 3.18Å; D48-V103 PolarHBondContact O-N 2.9Å
49N92.8Very high84.4Confident43 Ų4353.3 Ų53.323%0.2328%0.276CS..EExtended strand (participates in β ladder)trans-105.3128.4175-58.3-56.7000110.5K22 D23 H24 I51 V100K22-N49 PolarHBondContact O-N 2.75Å; D23-N49 WeakPolarHBondContact OD1-CB 3.37Å; D23-N49 PolarHBondContact OD1-ND2 3.1Å; H24-N49 PolarHBondContact N-O 3.49Å; N49-I51 HydrophobicContact CB-CG1 4.39Å; N49-V100 HydrophobicContact CB-CG1 4.37Å
50L93.8Very high83.6Confident0 Ų056 Ų560%029%0.286CS..EExtended strand (participates in β ladder)trans-95.6116.9167.6-61.5-179.8000108.8H24 V44 F52 L101 V103 F115 F123 F139H24-L50 HydrophobicContact CB-CD2 3.74Å; V44-L50 HydrophobicContact CG1-CD2 3.94Å; L50-F52 HydrophobicContact CB-CE2 3.85Å; L50-F52 HydrophobicContact CB-CZ 4.42Å; L50-L101 HydrophobicContact CB-CB 4.29Å; L50-L101 HydrophobicContact CD1-CD2 4.32Å; L50-L101 PolarHBondContact N-O 3.26Å; L50-L101 PolarHBondContact O-N 3.26Å; L50-V103 HydrophobicContact CD1-CG2 4.06Å; L50-V103 HydrophobicContact CD2-CG2 4.45Å; L50-V103 HydrophobicContact CG-CG2 3.81Å; L50-F115 HydrophobicContact CD1-CE1 4.18Å; L50-F115 HydrophobicContact CD1-CZ 3.8Å; L50-F123 HydrophobicContact CD1-CE2 4.27Å; L50-F123 HydrophobicContact CD1-CZ 4.26Å; L50-F139 HydrophobicContact CD1-CD1 4.32Å; L50-F139 HydrophobicContact CD1-CD2 4.15Å; L50-F139 HydrophobicContact CD1-CE2 4.44Å; L50-F139 HydrophobicContact CD1-CG 4.08Å; L50-F139 HydrophobicContact CD2-CD1 4.06Å; L50-F139 HydrophobicContact CD2-CE1 3.75Å; L50-F139 HydrophobicContact CD2-CZ 4.07Å
51I93Very high82.7Confident26 Ų2652.6 Ų52.613%0.13327%0.27CS..EExtended strand (participates in β ladder)trans-113.7108-176.5-54.6177.1000108.8D23 H24 I25 I26 N49 I53 V100D23-I51 HydrophobicContact CB-CD1 4.06Å; H24-I51 PolarHBondContact O-N 3.32Å; I25-I51 HydrophobicContact CG1-CB 4.35Å; I25-I51 HydrophobicContact CG1-CD1 4.32Å; I26-I51 PolarHBondContact N-O 3.07Å; N49-I51 HydrophobicContact CB-CG1 4.39Å; I51-I53 HydrophobicContact CG2-CD1 4.36Å; I51-I53 HydrophobicContact CG2-CG1 4.06Å; I51-V100 HydrophobicContact CG1-CG1 4.25Å; I51-V100 HydrophobicContact CG1-CG2 4.25Å; I51-V100 HydrophobicContact CG2-CG2 4.29Å
52F91.4Very high81.9Confident0 Ų049.9 Ų49.90%026%0.257CS..EExtended strand (participates in β ladder)trans-95.7123.3177.9-62.8-90.1000110.3I26 W28 L50 L64 L88 E98 F99 F123I26-F52 HydrophobicContact CB-CD1 4Å; I26-F52 HydrophobicContact CB-CE1 4.26Å; I26-F52 HydrophobicContact CD1-CD1 4.05Å; I26-F52 HydrophobicContact CD1-CE1 3.5Å; I26-F52 HydrophobicContact CD1-CZ 3.81Å; I26-F52 HydrophobicContact CG2-CD1 4.1Å; I26-F52 HydrophobicContact CG2-CE1 4.26Å; I26-F52 WeakPolarHBondContact O-CA 3.27Å; W28-F52 HydrophobicContact CD2-CD1 4.45Å; W28-F52 AromaticContact CE3-CD1 3.71Å; W28-F52 HydrophobicContact CE3-CD1 3.71Å; W28-F52 HydrophobicContact CE3-CE1 4.02Å; W28-F52 HydrophobicContact CZ3-CD1 4.05Å; W28-F52 AromaticContact CZ3-CE1 3.86Å; W28-F52 HydrophobicContact CZ3-CE1 3.86Å; L50-F52 HydrophobicContact CB-CE2 3.85Å; L50-F52 HydrophobicContact CB-CZ 4.42Å; F52-L64 HydrophobicContact CB-CD2 3.74Å; F52-L64 HydrophobicContact CD1-CD1 4.04Å; F52-L64 HydrophobicContact CD1-CD2 3.8Å; F52-L64 HydrophobicContact CD2-CD2 3.63Å; F52-L64 HydrophobicContact CE1-CD1 4.1Å; F52-L64 HydrophobicContact CE1-CD2 4.29Å; F52-L64 HydrophobicContact CE2-CD2 4.13Å; F52-L64 HydrophobicContact CG-CD2 3.44Å; F52-L64 VanDerWaalsContact CG-CD2 3.44Å; F52-L64 HydrophobicContact CZ-CD2 4.43Å; F52-L88 HydrophobicContact CB-CD2 4.39Å; F52-E98 CarbonylContact O-C 3.52Å; F52-E98 VanDerWaalsContact O-CA 3.24Å; F52-E98 WeakPolarHBondContact O-CA 3.16Å; F52-F99 HydrophobicContact CB-CB 4.49Å; F52-F99 HydrophobicContact CD2-CD1 4.16Å; F52-F99 PolarHBondContact N-O 3.03Å; F52-F99 PolarHBondContact O-N 3.45Å; F52-F123 HydrophobicContact CE1-CD1 4.32Å; F52-F123 HydrophobicContact CE1-CG 4.31Å; F52-F123 HydrophobicContact CE2-CD1 4.18Å; F52-F123 AromaticContact CE2-CE1 3.94Å; F52-F123 HydrophobicContact CE2-CE1 3.94Å; F52-F123 HydrophobicContact CE2-CZ 4.32Å; F52-F123 AromaticContact CZ-CD1 3.69Å; F52-F123 HydrophobicContact CZ-CD1 3.69Å; F52-F123 HydrophobicContact CZ-CD2 4.15Å; F52-F123 AromaticContact CZ-CE1 3.81Å; F52-F123 HydrophobicContact CZ-CE1 3.81Å; F52-F123 HydrophobicContact CZ-CE2 4.26Å; F52-F123 AromaticContact CZ-CG 3.86Å; F52-F123 HydrophobicContact CZ-CG 3.86Å; F52-F123 HydrophobicContact CZ-CZ 4.1Å
53I89Confident81.6Confident39 Ų3950 Ų5020%0.226%0.257CS..EExtended strand (participates in β ladder)trans-116.6126.3-178-55.8179000110I25 I26 Y27 W28 I51 N97I25-I53 HydrophobicContact CG2-CD1 3.63Å; I25-I53 HydrophobicContact CG2-CG1 4.32Å; I26-I53 PolarHBondContact O-N 2.82Å; Y27-I53 HydrophobicContact CD1-CB 4.12Å; Y27-I53 HydrophobicContact CD1-CG2 4.23Å; Y27-I53 HydrophobicContact CE1-CB 4.35Å; Y27-I53 HydrophobicContact CE1-CD1 4.22Å; Y27-I53 HydrophobicContact CE1-CG2 4.24Å; W28-I53 PolarHBondContact N-O 2.81Å; I51-I53 HydrophobicContact CG2-CD1 4.36Å; I51-I53 HydrophobicContact CG2-CG1 4.06Å; I53-N97 WeakPolarHBondContact CA-O 3.29Å
54C86.6Confident81.5Confident8 Ų844.6 Ų44.65%0.05424%0.236CC..EExtended strand (participates in β ladder)trans-68.8136.4172.2-61.80000110.8L88 C90 N97C54-L88 WeakPolarHBondContact SG-CD2 3.37Å; C54-C90 HydrophobicContact CB-CB 3.68Å; C54-C90 WeakPolarHBondContact CB-SG 3.41Å; C54-C90 WeakPolarHBondContact SG-CA 3.49Å; C54-C90 WeakPolarHBondContact SG-CB 3.3Å; C54-C90 CovalentContact SG-SG 2.02Å; C54-C90 PolarHBondContact SG-SG 3.33Å; C54-N97 HydrophobicContact CB-CB 4.31Å; C54-N97 WeakPolarHBondContact CB-O 3.46Å; C54-N97 PolarHBondContact N-O 2.84Å
55S80.1Confident81.4Confident36 Ų3645.5 Ų45.525%0.25224%0.24SC..  trans-62143.5170.4-173.70000111.8D29 N57D29-S55 WeakPolarHBondContact OD1-CB 3.28Å; D29-S55 PolarHBondContact OD1-OG 3.47Å; S55-N57 PolarHBondContact O-N 2.97Å; S55-N57 PolarHBondContact OG-N 2.95Å
56T74.7Confident81.5Confident139 Ų13943.2 Ų43.285%0.85323%0.226SC*.SBendtrans-66.5-21.517254.80000111.8R58T56-R58 PolarHBondContact O-N 2.78Å; T56-R58 VanDerWaalsContact O-N 3.07Å
57N70.9Confident81.5Confident88 Ų8839.9 Ų39.947%0.47121%0.21SC..  trans-7892.7175.7-168-10.1000110.6S55 T59S55-N57 PolarHBondContact O-N 2.97Å; S55-N57 PolarHBondContact OG-N 2.95Å; N57-T59 PolarHBondContact O-N 2.82Å; N57-T59 WeakPolarHBondContact OD1-CB 3.48Å; N57-T59 VanDerWaalsContact OD1-CG2 3.24Å; N57-T59 WeakPolarHBondContact OD1-CG2 3.41Å; N57-T59 PolarHBondContact OD1-N 3.19Å; N57-T59 PolarHBondContact OD1-OG1 3.36Å
58R64.5Low81.5Confident149 Ų14942.8 Ų42.856%0.56222%0.224SC*.THydrogen-bonded Turntrans-69.13.1-176.7-64-174.1176.2161-0.6115.2T56 H60T56-R58 PolarHBondContact O-N 2.78Å; T56-R58 VanDerWaalsContact O-N 3.07Å; R58-H60 PolarHBondContact O-N 3.45Å
59T58.7Low81.4Confident92 Ų9243.7 Ų43.756%0.56423%0.229SC*.THydrogen-bonded Turntrans-67.6-17.6-17552.40000113.1N57N57-T59 PolarHBondContact O-N 2.82Å; N57-T59 WeakPolarHBondContact OD1-CB 3.48Å; N57-T59 VanDerWaalsContact OD1-CG2 3.24Å; N57-T59 WeakPolarHBondContact OD1-CG2 3.41Å; N57-T59 PolarHBondContact OD1-N 3.19Å; N57-T59 PolarHBondContact OD1-OG1 3.36Å
60H61.9Low81.1Confident84 Ų8444.6 Ų44.639%0.38924%0.238SC..SBendtrans-127.2127-175.2-61.6-19.5000112.8R58 R62R58-H60 PolarHBondContact O-N 3.45Å; H60-R62 PolarHBondContact O-N 2.79Å
61V57.7Low80.7Confident56 Ų5650.5 Ų50.534%0.33926%0.26SS..  trans-69.4103.9179.8-1710000111.5F91 I129V61-F91 HydrophobicContact CB-CD2 4.04Å; V61-F91 HydrophobicContact CB-CE2 3.64Å; V61-F91 HydrophobicContact CB-CZ 3.97Å; V61-F91 HydrophobicContact CG1-CD2 3.84Å; V61-F91 HydrophobicContact CG1-CE2 3.98Å; V61-F91 HydrophobicContact CG1-CG 4.42Å; V61-F91 HydrophobicContact CG2-CD1 4.38Å; V61-F91 HydrophobicContact CG2-CD2 4.04Å; V61-F91 HydrophobicContact CG2-CE1 3.71Å; V61-F91 HydrophobicContact CG2-CE2 3.42Å; V61-F91 VanDerWaalsContact CG2-CE2 3.42Å; V61-F91 HydrophobicContact CG2-CZ 3.19Å; V61-I129 WeakPolarHBondContact O-CG1 3.29Å
62R70.3Confident80.4Confident9 Ų949.5 Ų49.53%0.03426%0.255CS..  trans-123.464.3-178.3-60.5-168.2-169.4121.9-6.9112W28 D29 H60 L64 C90 I129W28-R62 WeakPolarHBondContact O-CD 3.05Å; D29-R62 VanDerWaalsContact CA-CZ 3.41Å; D29-R62 VanDerWaalsContact CA-NH1 3.28Å; D29-R62 IonicContact OD1-CZ 3.11Å; D29-R62 IonicContact OD1-NH1 3.02Å; D29-R62 PolarHBondContact OD1-NH1 3.49Å; D29-R62 IonicContact OD1-NH2 3.25Å; D29-R62 PolarHBondContact OD1-NH2 3.17Å; D29-R62 IonicContact OD2-CZ 3.3Å; D29-R62 VanDerWaalsContact OD2-CZ 3.25Å; D29-R62 IonicContact OD2-NH1 3.95Å; D29-R62 PolarHBondContact OD2-NH1 2.91Å; D29-R62 IonicContact OD2-NH2 2.68Å; D29-R62 PolarHBondContact OD2-NH2 3.15Å; H60-R62 PolarHBondContact O-N 2.79Å; R62-L64 PolarHBondContact O-N 3.3Å; R62-C90 PolarHBondContact O-SG 3.4Å; R62-I129 HydrophobicContact CG-CG2 4.44Å
63N84.3Confident80.1Confident15 Ų1550.9 Ų50.98%0.0826%0.261CS..  trans-64136.2164.1-65.7-11000108.9Y65 L88 D89N63-Y65 HydrophobicContact CB-CD2 4.31Å; N63-Y65 HydrophobicContact CB-CE2 3.44Å; N63-Y65 VanDerWaalsContact CB-CE2 3.44Å; N63-Y65 WeakPolarHBondContact CB-OH 3.02Å; N63-Y65 PolarHBondContact ND2-OH 3.36Å; N63-L88 CarbonylContact C-O 3.6Å; N63-L88 VanDerWaalsContact CA-O 3.28Å; N63-L88 WeakPolarHBondContact CA-O 3.44Å; N63-D89 WeakPolarHBondContact OD1-CA 3.45Å; N63-D89 PolarHBondContact OD1-OD1 3.08Å
64L88.6Confident79.9Confident0 Ų055.7 Ų55.70%028%0.284CS..EExtended strand (participates in β ladder)trans-91.5125.5174.2179.265.7000108.6W28 F52 R62 L87 L88 F99 F123W28-L64 HydrophobicContact CD2-CD1 3.87Å; W28-L64 VanDerWaalsContact CE2-CD1 3.47Å; W28-L64 HydrophobicContact CE3-CD1 4Å; W28-L64 HydrophobicContact CH2-CD1 3.47Å; W28-L64 VanDerWaalsContact CH2-CD1 3.47Å; W28-L64 HydrophobicContact CZ2-CD1 3.29Å; W28-L64 HydrophobicContact CZ3-CD1 3.81Å; F52-L64 HydrophobicContact CB-CD2 3.74Å; F52-L64 HydrophobicContact CD1-CD1 4.04Å; F52-L64 HydrophobicContact CD1-CD2 3.8Å; F52-L64 HydrophobicContact CD2-CD2 3.63Å; F52-L64 HydrophobicContact CE1-CD1 4.1Å; F52-L64 HydrophobicContact CE1-CD2 4.29Å; F52-L64 HydrophobicContact CE2-CD2 4.13Å; F52-L64 HydrophobicContact CG-CD2 3.44Å; F52-L64 VanDerWaalsContact CG-CD2 3.44Å; F52-L64 HydrophobicContact CZ-CD2 4.43Å; R62-L64 PolarHBondContact O-N 3.3Å; L64-L87 HydrophobicContact CD2-CB 4.02Å; L64-L87 HydrophobicContact CD2-CD1 4.14Å; L64-L87 HydrophobicContact CG-CB 4.19Å; L64-L87 HydrophobicContact CG-CD1 4.32Å; L64-L87 PolarHBondContact O-N 3.03Å; L64-L88 HydrophobicContact CB-CB 3.71Å; L64-L88 HydrophobicContact CD2-CB 4.25Å; L64-L88 PolarHBondContact N-O 2.76Å; L64-L88 PolarHBondContact O-N 2.83Å; L64-F99 HydrophobicContact CD2-CD1 4.21Å; L64-F123 HydrophobicContact CD1-CB 4Å; L64-F123 HydrophobicContact CD1-CD1 4Å; L64-F123 HydrophobicContact CD1-CG 4.44Å; L64-F123 HydrophobicContact CG-CD1 4.42Å
65Y90.7Very high79.8Confident22 Ų2261.8 Ų61.89%0.08631%0.31CS..EExtended strand (participates in β ladder)trans-121.4150.2172.9-56.6-87.9000110.1N63 K78 V84 I85 R86 F123 I124 H126N63-Y65 HydrophobicContact CB-CD2 4.31Å; N63-Y65 HydrophobicContact CB-CE2 3.44Å; N63-Y65 VanDerWaalsContact CB-CE2 3.44Å; N63-Y65 WeakPolarHBondContact CB-OH 3.02Å; N63-Y65 PolarHBondContact ND2-OH 3.36Å; Y65-K78 VanDerWaalsContact CZ-NZ 3.31Å; Y65-K78 PolarHBondContact OH-NZ 3.03Å; Y65-V84 HydrophobicContact CD1-CG1 3.92Å; Y65-V84 HydrophobicContact CG-CG1 3.97Å; Y65-I85 CarbonylContact C-O 3.59Å; Y65-I85 VanDerWaalsContact CA-O 3.29Å; Y65-I85 WeakPolarHBondContact CA-O 3.45Å; Y65-R86 HydrophobicContact CD1-CB 3.77Å; Y65-R86 HydrophobicContact CD1-CG 4.19Å; Y65-R86 HydrophobicContact CE1-CB 3.62Å; Y65-R86 HydrophobicContact CE1-CG 3.81Å; Y65-F123 CarbonylContact O-C 3.52Å; Y65-F123 VanDerWaalsContact O-CA 3.3Å; Y65-F123 WeakPolarHBondContact O-CA 3.49Å; Y65-I124 PolarHBondContact N-O 3.07Å; Y65-I124 PolarHBondContact O-N 3.2Å; Y65-H126 HydrophobicContact CE2-CB 4.36Å
66W92.5Very high80Confident21 Ų2160.3 Ų60.38%0.0830%0.299CS..EExtended strand (participates in β ladder)trans-120.4154.117080.6-87.2000112.1N68 V84 I85 L87 S111 L112 P113 V121 H122 F123W66-N68 WeakPolarHBondContact CZ3-OD1 3.27Å; W66-V84 WeakPolarHBondContact O-CA 3.49Å; W66-I85 HydrophobicContact CZ2-CD1 3.65Å; W66-I85 HydrophobicContact CZ2-CG1 4.47Å; W66-I85 PolarHBondContact N-O 3.02Å; W66-I85 PolarHBondContact O-N 2.87Å; W66-I85 VanDerWaalsContact O-N 3.12Å; W66-L87 HydrophobicContact CB-CD1 3.85Å; W66-L87 VanDerWaalsContact CD1-CD2 3.41Å; W66-L87 HydrophobicContact CG-CD1 4.02Å; W66-L87 HydrophobicContact CG-CG 4.35Å; W66-S111 VanDerWaalsContact CE2-O 3.28Å; W66-S111 WeakPolarHBondContact CZ2-O 3.22Å; W66-S111 PolarHBondContact NE1-O 3.22Å; W66-L112 VanDerWaalsContact CZ2-C 3.45Å; W66-P113 HydrophobicContact CD2-CB 3.92Å; W66-P113 HydrophobicContact CD2-CG 4.25Å; W66-P113 HydrophobicContact CE3-CB 3.66Å; W66-P113 HydrophobicContact CE3-CG 4.45Å; W66-P113 HydrophobicContact CG-CG 4.49Å; W66-P113 HydrophobicContact CH2-CB 4.21Å; W66-P113 HydrophobicContact CZ2-CB 4.41Å; W66-P113 HydrophobicContact CZ3-CB 3.83Å; W66-V121 HydrophobicContact CE3-CG1 4.33Å; W66-H122 CarbonylContact C-O 3.53Å; W66-H122 VanDerWaalsContact CA-O 3.25Å; W66-H122 WeakPolarHBondContact CA-O 3.31Å; W66-F123 HydrophobicContact CB-CD1 3.99Å; W66-F123 HydrophobicContact CB-CE1 3.98Å
67T90.4Very high79.9Confident2 Ų256.2 Ų56.21%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-159.9153.3175.3-1700000111.3D69 V72 N83 H122 I124T67-D69 PolarHBondContact OG1-N 2.92Å; T67-V72 HydrophobicContact CG2-CB 3.91Å; T67-V72 HydrophobicContact CG2-CG1 4.08Å; T67-N83 PolarHBondContact OG1-O 2.81Å; T67-H122 HydrophobicContact CG2-CB 4.02Å; T67-H122 PolarHBondContact N-O 3.47Å; T67-H122 WeakPolarHBondContact O-CA 3.26Å; T67-H122 WeakPolarHBondContact O-CB 3.21Å; T67-H122 PolarHBondContact O-N 2.61Å; T67-I124 HydrophobicContact CG2-CD1 4.45Å
68N88.5Confident79.5Confident67 Ų6755.7 Ų55.736%0.35827%0.266SS..SBendtrans-95.81.7170.3-68.7-6.5000112.3W66 P70W66-N68 WeakPolarHBondContact CZ3-OD1 3.27Å; N68-P70 WeakPolarHBondContact O-CD 3.25Å
69D88Confident78.9Confident22 Ų2253.7 Ų53.712%0.11827%0.27CS..  trans-92.5113.4-179.3-166.7-38.2000111.4T67 R71 V72 I82T67-D69 PolarHBondContact OG1-N 2.92Å; D69-R71 PolarHBondContact O-N 2.87Å; D69-R71 WeakPolarHBondContact OD1-CA 3.44Å; D69-R71 WeakPolarHBondContact OD1-CB 3.28Å; D69-R71 VanDerWaalsContact OD1-CG 3.28Å; D69-R71 WeakPolarHBondContact OD1-CG 3.46Å; D69-R71 IonicContact OD1-CZ 2.66Å; D69-R71 PolarHBondContact OD1-N 2.89Å; D69-R71 IonicContact OD1-NE 2.6Å; D69-R71 PolarHBondContact OD1-NE 2.99Å; D69-R71 IonicContact OD1-NH2 3.53Å; D69-R71 IonicContact OD2-CZ 3.29Å; D69-R71 VanDerWaalsContact OD2-CZ 3.3Å; D69-R71 IonicContact OD2-NE 3.36Å; D69-R71 PolarHBondContact OD2-NE 2.86Å; D69-R71 VanDerWaalsContact OD2-NE 3.11Å; D69-R71 IonicContact OD2-NH2 3.33Å; D69-R71 PolarHBondContact OD2-NH2 3Å; D69-V72 HydrophobicContact CB-CG2 3.93Å; D69-V72 PolarHBondContact O-N 2.87Å; D69-I82 HydrophobicContact CB-CD1 4.31Å; D69-I82 HydrophobicContact CB-CG2 3.72Å; D69-I82 VanDerWaalsContact OD2-CD1 3.22Å; D69-I82 WeakPolarHBondContact OD2-CD1 3.38Å
70P87.6Confident78.6Confident62 Ų6252.7 Ų52.740%0.40326%0.261SS..Hα-helixtrans-64.5-23.9-178.926.1-34.7000112.9N68 V72 K73 M74 H122N68-P70 WeakPolarHBondContact O-CD 3.25Å; P70-V72 VanDerWaalsContact C-N 3.27Å; P70-V72 PolarHBondContact O-N 3.47Å; P70-K73 WeakPolarHBondContact O-CB 3.4Å; P70-K73 PolarHBondContact O-N 3.02Å; P70-M74 WeakPolarHBondContact O-CG 3.46Å; P70-M74 PolarHBondContact O-N 2.88Å; P70-H122 WeakPolarHBondContact CA-NE2 3.47Å
71R86.4Confident78.2Confident124 Ų12454.7 Ų54.747%0.46828%0.284SS..Hα-helixtrans-67.2-32.8179.3-56.4173.3-69.4-175.5-1111.2D69 M74 K75D69-R71 PolarHBondContact O-N 2.87Å; D69-R71 WeakPolarHBondContact OD1-CA 3.44Å; D69-R71 WeakPolarHBondContact OD1-CB 3.28Å; D69-R71 VanDerWaalsContact OD1-CG 3.28Å; D69-R71 WeakPolarHBondContact OD1-CG 3.46Å; D69-R71 IonicContact OD1-CZ 2.66Å; D69-R71 PolarHBondContact OD1-N 2.89Å; D69-R71 IonicContact OD1-NE 2.6Å; D69-R71 PolarHBondContact OD1-NE 2.99Å; D69-R71 IonicContact OD1-NH2 3.53Å; D69-R71 IonicContact OD2-CZ 3.29Å; D69-R71 VanDerWaalsContact OD2-CZ 3.3Å; D69-R71 IonicContact OD2-NE 3.36Å; D69-R71 PolarHBondContact OD2-NE 2.86Å; D69-R71 VanDerWaalsContact OD2-NE 3.11Å; D69-R71 IonicContact OD2-NH2 3.33Å; D69-R71 PolarHBondContact OD2-NH2 3Å; R71-M74 PolarHBondContact O-N 3.48Å; R71-K75 WeakPolarHBondContact O-CB 3.35Å; R71-K75 WeakPolarHBondContact O-CG 3.37Å; R71-K75 PolarHBondContact O-N 3.2Å
72V85.7Confident78.2Confident4 Ų453.6 Ų53.62%0.02428%0.276CS..Hα-helixtrans-69.9-43.8176.8-176.40000109.9T67 D69 P70 M74 C76 I82 V84 I124T67-V72 HydrophobicContact CG2-CB 3.91Å; T67-V72 HydrophobicContact CG2-CG1 4.08Å; D69-V72 HydrophobicContact CB-CG2 3.93Å; D69-V72 PolarHBondContact O-N 2.87Å; P70-V72 VanDerWaalsContact C-N 3.27Å; P70-V72 PolarHBondContact O-N 3.47Å; V72-M74 PolarHBondContact O-N 3.07Å; V72-C76 WeakPolarHBondContact O-CA 3.37Å; V72-C76 PolarHBondContact O-N 2.85Å; V72-I82 HydrophobicContact CG2-CB 4.23Å; V72-I82 HydrophobicContact CG2-CD1 3.44Å; V72-I82 VanDerWaalsContact CG2-CD1 3.44Å; V72-I82 HydrophobicContact CG2-CG1 4.43Å; V72-I82 HydrophobicContact CG2-CG2 3.9Å; V72-V84 HydrophobicContact CG1-CG2 3.93Å; V72-V84 HydrophobicContact CG2-CG2 4.38Å; V72-I124 HydrophobicContact CG1-CD1 3.3Å
73K85.5Confident78.1Confident29 Ų2959.4 Ų59.413%0.12631%0.308CS..Hα-helixtrans-55.8-49.5171.7178.6-170.7177.6-178.60111.1D40 P70 H122 R136 S138D40-K73 PolarHBondContact O-NZ 3Å; P70-K73 WeakPolarHBondContact O-CB 3.4Å; P70-K73 PolarHBondContact O-N 3.02Å; K73-H122 HydrophobicContact CB-CB 4.14Å; K73-R136 HydrophobicContact CG-CB 4.5Å; K73-R136 HydrophobicContact CG-CG 4.46Å; K73-R136 WeakPolarHBondContact O-CD 3.4Å; K73-R136 PolarHBondContact O-NH1 2.86Å; K73-S138 VanDerWaalsContact CD-OG 3.26Å; K73-S138 WeakPolarHBondContact CD-OG 3.42Å; K73-S138 WeakPolarHBondContact CE-OG 3.29Å; K73-S138 PolarHBondContact NZ-OG 2.78Å
74M84.8Confident77.9Confident141 Ų14160.4 Ų60.470%0.69532%0.315SS*.Hα-helixtrans-66.6-45.5-175-72.8179.8179.100112.8P70 R71 V72 R136P70-M74 WeakPolarHBondContact O-CG 3.46Å; P70-M74 PolarHBondContact O-N 2.88Å; R71-M74 PolarHBondContact O-N 3.48Å; V72-M74 PolarHBondContact O-N 3.07Å; M74-R136 PolarHBondContact O-NH1 3.32Å
75K84.9Confident77.8Confident135 Ų13563 Ų6359%0.58733%0.328SS*.Hα-helixtrans-86.4-12-176.3-65.1-177.6178.1-177.90113.7R71 N77 Q131R71-K75 WeakPolarHBondContact O-CB 3.35Å; R71-K75 WeakPolarHBondContact O-CG 3.37Å; R71-K75 PolarHBondContact O-N 3.2Å; K75-N77 HydrophobicContact CB-CB 4.05Å; K75-N77 PolarHBondContact O-N 2.78Å; K75-N77 VanDerWaalsContact O-N 3.15Å; K75-Q131 PolarHBondContact O-NE2 2.93Å
76C83.9Confident77.7Confident6 Ų668.3 Ų68.34%0.04135%0.348CS..THydrogen-bonded Turntrans49.935.3-171.1-770000112.3V72 S127 C130 Q131V72-C76 WeakPolarHBondContact O-CA 3.37Å; V72-C76 PolarHBondContact O-N 2.85Å; C76-S127 WeakPolarHBondContact O-CA 3.35Å; C76-S127 WeakPolarHBondContact O-CB 3.44Å; C76-C130 HydrophobicContact CB-CB 3.54Å; C76-C130 WeakPolarHBondContact CB-SG 3.3Å; C76-C130 WeakPolarHBondContact SG-CB 3.31Å; C76-C130 PolarHBondContact SG-O 2.63Å; C76-C130 VanDerWaalsContact SG-O 3.37Å; C76-C130 CovalentContact SG-SG 2.04Å; C76-C130 PolarHBondContact SG-SG 3.36Å; C76-Q131 HydrophobicContact CB-CB 4.49Å; C76-Q131 HydrophobicContact CB-CG 3.46Å; C76-Q131 VanDerWaalsContact CB-CG 3.46Å
77N72.5Confident77.4Confident53 Ų5368.7 Ų68.728%0.28335%0.351SS..  trans-119.9131.6-169.9-163.5-6.4000111.5K75 T79K75-N77 HydrophobicContact CB-CB 4.05Å; K75-N77 PolarHBondContact O-N 2.78Å; K75-N77 VanDerWaalsContact O-N 3.15Å; N77-T79 VanDerWaalsContact C-N 3.29Å; N77-T79 PolarHBondContact ND2-OG1 2.79Å; N77-T79 WeakPolarHBondContact OD1-CB 3.45Å; N77-T79 WeakPolarHBondContact OD1-CG2 3.38Å; N77-T79 PolarHBondContact OD1-N 2.02Å; N77-T79 PolarHBondContact OD1-OG1 3.37Å; N77-T79 VanDerWaalsContact OD1-OG1 3.08Å
78K62.9Low77.2Confident76 Ų7669 Ų6933%0.3335%0.353SS..  trans-78.7-8.9174.4-68.8-178.8172.6179.50113.2Y65 I80 H126Y65-K78 VanDerWaalsContact CZ-NZ 3.31Å; Y65-K78 PolarHBondContact OH-NZ 3.03Å; K78-I80 PolarHBondContact O-N 3.03Å; K78-H126 PolarHBondContact NZ-CD2 3.36Å; K78-H126 PolarHBondContact NZ-NE2 2.83Å
79T50.3Low77Confident108 Ų10867.7 Ų67.766%0.66335%0.345SS*.  trans-84.434.4-162.264.30000115.4N77N77-T79 VanDerWaalsContact C-N 3.29Å; N77-T79 PolarHBondContact ND2-OG1 2.79Å; N77-T79 WeakPolarHBondContact OD1-CB 3.45Å; N77-T79 WeakPolarHBondContact OD1-CG2 3.38Å; N77-T79 PolarHBondContact OD1-N 2.02Å; N77-T79 PolarHBondContact OD1-OG1 3.37Å; N77-T79 VanDerWaalsContact OD1-OG1 3.08Å
80I53.1Low76.7Confident70 Ų7067.5 Ų67.536%0.35935%0.346SS..SBendtrans-129.1143.5165.4-46.4172.3000104.2K78 I82K78-I80 PolarHBondContact O-N 3.03Å; I80-I82 HydrophobicContact CB-CD1 3.43Å; I80-I82 VanDerWaalsContact CB-CD1 3.43Å; I80-I82 HydrophobicContact CB-CG1 3.64Å; I80-I82 HydrophobicContact CD1-CD1 3.73Å; I80-I82 HydrophobicContact CG1-CD1 4.09Å; I80-I82 HydrophobicContact CG2-CD1 3.65Å; I80-I82 HydrophobicContact CG2-CG1 3.57Å; I80-I82 PolarHBondContact O-N 2.68Å
81S52.8Low76.2Confident126 Ų12669.2 Ų69.288%0.88135%0.347SS*.SBendtrans-6037174.447.50000113.8
82I58.5Low75.4Confident34 Ų3465.9 Ų65.917%0.17434%0.343CS..  trans-87.2141.4-179-63.5169.4000107.3D69 V72 I80 V84D69-I82 HydrophobicContact CB-CD1 4.31Å; D69-I82 HydrophobicContact CB-CG2 3.72Å; D69-I82 VanDerWaalsContact OD2-CD1 3.22Å; D69-I82 WeakPolarHBondContact OD2-CD1 3.38Å; V72-I82 HydrophobicContact CG2-CB 4.23Å; V72-I82 HydrophobicContact CG2-CD1 3.44Å; V72-I82 VanDerWaalsContact CG2-CD1 3.44Å; V72-I82 HydrophobicContact CG2-CG1 4.43Å; V72-I82 HydrophobicContact CG2-CG2 3.9Å; I80-I82 HydrophobicContact CB-CD1 3.43Å; I80-I82 VanDerWaalsContact CB-CD1 3.43Å; I80-I82 HydrophobicContact CB-CG1 3.64Å; I80-I82 HydrophobicContact CD1-CD1 3.73Å; I80-I82 HydrophobicContact CG1-CD1 4.09Å; I80-I82 HydrophobicContact CG2-CD1 3.65Å; I80-I82 HydrophobicContact CG2-CG1 3.57Å; I80-I82 PolarHBondContact O-N 2.68Å; I82-V84 HydrophobicContact CG2-CG2 4.36Å; I82-V84 PolarHBondContact O-N 3.11Å
83N68Low74.4Confident131 Ų13174.4 Ų74.470%0.70138%0.38SS*.  trans-61.983.7173.8-64.4-13.1000110T67T67-N83 PolarHBondContact OG1-O 2.81Å
84V80.3Confident73.4Confident36 Ų3682.8 Ų82.822%0.21842%0.416CS..  trans-103.5109.4167.9-179.50000106.5Y65 W66 V72 I82 I124Y65-V84 HydrophobicContact CD1-CG1 3.92Å; Y65-V84 HydrophobicContact CG-CG1 3.97Å; W66-V84 WeakPolarHBondContact O-CA 3.49Å; V72-V84 HydrophobicContact CG1-CG2 3.93Å; V72-V84 HydrophobicContact CG2-CG2 4.38Å; I82-V84 HydrophobicContact CG2-CG2 4.36Å; I82-V84 PolarHBondContact O-N 3.11Å; V84-I124 HydrophobicContact CG1-CD1 4.4Å
85I86.6Confident72.5Confident54 Ų5477.7 Ų77.728%0.27739%0.394SS..EExtended strand (participates in β ladder)trans-103.2130.9-174.9-62.5177.5000108.7Y65 W66 S111Y65-I85 CarbonylContact C-O 3.59Å; Y65-I85 VanDerWaalsContact CA-O 3.29Å; Y65-I85 WeakPolarHBondContact CA-O 3.45Å; W66-I85 HydrophobicContact CZ2-CD1 3.65Å; W66-I85 HydrophobicContact CZ2-CG1 4.47Å; W66-I85 PolarHBondContact N-O 3.02Å; W66-I85 PolarHBondContact O-N 2.87Å; W66-I85 VanDerWaalsContact O-N 3.12Å; I85-S111 WeakPolarHBondContact CD1-O 3.45Å
86R87.5Confident71.8Confident134 Ų13477.3 Ų77.351%0.50640%0.398SS..EExtended strand (participates in β ladder)trans-79.3124.8176.4-174.1174.757.9179-8.5109.4Y65 D89Y65-R86 HydrophobicContact CD1-CB 3.77Å; Y65-R86 HydrophobicContact CD1-CG 4.19Å; Y65-R86 HydrophobicContact CE1-CB 3.62Å; Y65-R86 HydrophobicContact CE1-CG 3.81Å; R86-D89 IonicContact CZ-OD2 3.18Å; R86-D89 IonicContact NH1-OD2 2.63Å; R86-D89 PolarHBondContact NH1-OD2 3.37Å
87L87.6Confident71.7Confident28 Ų2881.3 Ų81.315%0.14742%0.419CS..EExtended strand (participates in β ladder)trans-99.7-45.1178.3-63.3175.1000112.1L64 W66 F99 L112 F123L64-L87 HydrophobicContact CD2-CB 4.02Å; L64-L87 HydrophobicContact CD2-CD1 4.14Å; L64-L87 HydrophobicContact CG-CB 4.19Å; L64-L87 HydrophobicContact CG-CD1 4.32Å; L64-L87 PolarHBondContact O-N 3.03Å; W66-L87 HydrophobicContact CB-CD1 3.85Å; W66-L87 VanDerWaalsContact CD1-CD2 3.41Å; W66-L87 HydrophobicContact CG-CD1 4.02Å; W66-L87 HydrophobicContact CG-CG 4.35Å; L87-F99 HydrophobicContact CB-CD1 3.97Å; L87-F99 HydrophobicContact CB-CD2 4.47Å; L87-F99 HydrophobicContact CB-CE1 3.81Å; L87-F99 HydrophobicContact CB-CE2 4.35Å; L87-F99 HydrophobicContact CB-CG 4.3Å; L87-F99 HydrophobicContact CB-CZ 4.04Å; L87-F99 HydrophobicContact CD1-CD1 4.27Å; L87-F99 HydrophobicContact CD1-CE1 3.7Å; L87-F99 HydrophobicContact CD1-CZ 4.33Å; L87-F99 HydrophobicContact CD2-CE1 3.97Å; L87-F99 HydrophobicContact CD2-CE2 4.44Å; L87-F99 HydrophobicContact CD2-CZ 3.72Å; L87-F99 HydrophobicContact CG-CE1 4.01Å; L87-F99 HydrophobicContact CG-CZ 4.22Å; L87-L112 HydrophobicContact CD2-CD2 3.84Å; L87-F123 HydrophobicContact CD1-CD1 4.07Å; L87-F123 HydrophobicContact CD1-CE1 3.7Å
88L85Confident72.4Confident9 Ų983.9 Ų83.95%0.04743%0.429CS..EExtended strand (participates in β ladder)trans-132.7136.9-174.6-170.156.8000110.2F52 C54 N63 L64 L96 F99F52-L88 HydrophobicContact CB-CD2 4.39Å; C54-L88 WeakPolarHBondContact SG-CD2 3.37Å; N63-L88 CarbonylContact C-O 3.6Å; N63-L88 VanDerWaalsContact CA-O 3.28Å; N63-L88 WeakPolarHBondContact CA-O 3.44Å; L64-L88 HydrophobicContact CB-CB 3.71Å; L64-L88 HydrophobicContact CD2-CB 4.25Å; L64-L88 PolarHBondContact N-O 2.76Å; L64-L88 PolarHBondContact O-N 2.83Å; L88-L96 WeakPolarHBondContact CD1-O 3.31Å; L88-F99 HydrophobicContact CB-CB 4.09Å; L88-F99 HydrophobicContact CD1-CB 4.08Å; L88-F99 HydrophobicContact CD2-CB 3.98Å; L88-F99 HydrophobicContact CG-CB 4.27Å
89D84.7Confident73.7Confident39 Ų3982.1 Ų82.121%0.20942%0.422CS..  trans-116.8103.7173.2-167.6-39.5000108.6N63 R86 F91 S95N63-D89 WeakPolarHBondContact OD1-CA 3.45Å; N63-D89 PolarHBondContact OD1-OD1 3.08Å; R86-D89 IonicContact CZ-OD2 3.18Å; R86-D89 IonicContact NH1-OD2 2.63Å; R86-D89 PolarHBondContact NH1-OD2 3.37Å; D89-F91 PolarHBondContact O-N 3.23Å; D89-F91 WeakPolarHBondContact OD1-CB 3.19Å; D89-F91 PolarHBondContact OD1-N 3.37Å; D89-S95 VanDerWaalsContact O-CB 3.3Å; D89-S95 WeakPolarHBondContact O-CB 3.24Å; D89-S95 PolarHBondContact O-OG 2.99Å
90C82Confident75.7Confident18 Ų1880.8 Ų80.812%0.12241%0.413CS..SBendtrans-79.9-1-177.2-62.80000113.6C54 R62C54-C90 HydrophobicContact CB-CB 3.68Å; C54-C90 WeakPolarHBondContact CB-SG 3.41Å; C54-C90 WeakPolarHBondContact SG-CA 3.49Å; C54-C90 WeakPolarHBondContact SG-CB 3.3Å; C54-C90 CovalentContact SG-SG 2.02Å; C54-C90 PolarHBondContact SG-SG 3.33Å; R62-C90 PolarHBondContact O-SG 3.4Å
91F77.6Confident77.6Confident98 Ų9877.6 Ų77.643%0.4340%0.397SS..SBendtrans-91.6-29.3-175.1-103.1-111.3000113.4V61 D89 K93V61-F91 HydrophobicContact CB-CD2 4.04Å; V61-F91 HydrophobicContact CB-CE2 3.64Å; V61-F91 HydrophobicContact CB-CZ 3.97Å; V61-F91 HydrophobicContact CG1-CD2 3.84Å; V61-F91 HydrophobicContact CG1-CE2 3.98Å; V61-F91 HydrophobicContact CG1-CG 4.42Å; V61-F91 HydrophobicContact CG2-CD1 4.38Å; V61-F91 HydrophobicContact CG2-CD2 4.04Å; V61-F91 HydrophobicContact CG2-CE1 3.71Å; V61-F91 HydrophobicContact CG2-CE2 3.42Å; V61-F91 VanDerWaalsContact CG2-CE2 3.42Å; V61-F91 HydrophobicContact CG2-CZ 3.19Å; D89-F91 PolarHBondContact O-N 3.23Å; D89-F91 WeakPolarHBondContact OD1-CB 3.19Å; D89-F91 PolarHBondContact OD1-N 3.37Å; F91-K93 PolarHBondContact O-N 2.9Å
92S69.2Low79.5Confident54 Ų5477.4 Ų77.438%0.37838%0.38SS..  trans-73.6128.6-174.1179.80000110.7K94 S95S92-K94 PolarHBondContact O-N 2.66Å; S92-K94 VanDerWaalsContact O-N 3.07Å; S92-K94 PolarHBondContact OG-N 3.12Å; S92-S95 VanDerWaalsContact CB-OG 3.31Å; S92-S95 WeakPolarHBondContact CB-OG 3.3Å; S92-S95 PolarHBondContact O-N 2.99Å; S92-S95 PolarHBondContact O-OG 3.2Å; S92-S95 PolarHBondContact OG-N 3.31Å
93K64.4Low81.1Confident184 Ų18475.8 Ų75.880%0.837%0.372SS*.THydrogen-bonded Turntrans-61.8-14.7170.8-68-177.8-179.5178.80112.7F91F91-K93 PolarHBondContact O-N 2.9Å
94K65.9Low82.3Confident204 Ų20470.6 Ų70.689%0.88735%0.346SS*.THydrogen-bonded Turntrans-105.7-9-179.5-65.6-174.3176.4-1750113.4S92S92-K94 PolarHBondContact O-N 2.66Å; S92-K94 VanDerWaalsContact O-N 3.07Å; S92-K94 PolarHBondContact OG-N 3.12Å
95S64.4Low82.8Confident34 Ų3471.1 Ų71.124%0.23834%0.344CS..SBendtrans-80.4152.8179.749.90000110.8D89 S92 N97D89-S95 VanDerWaalsContact O-CB 3.3Å; D89-S95 WeakPolarHBondContact O-CB 3.24Å; D89-S95 PolarHBondContact O-OG 2.99Å; S92-S95 VanDerWaalsContact CB-OG 3.31Å; S92-S95 WeakPolarHBondContact CB-OG 3.3Å; S92-S95 PolarHBondContact O-N 2.99Å; S92-S95 PolarHBondContact O-OG 3.2Å; S92-S95 PolarHBondContact OG-N 3.31Å; S95-N97 PolarHBondContact O-N 2.86Å
96L71.5Confident82.9Confident127 Ų12773.9 Ų73.967%0.66535%0.354SS*.  trans-57.8135.4165.1-64.3168.2000108.1L88 E98L88-L96 WeakPolarHBondContact CD1-O 3.31Å; L96-E98 WeakPolarHBondContact CB-O 3.29Å; L96-E98 PolarHBondContact O-N 2.96Å
97N81.5Confident82.9Confident90 Ų9069.2 Ų69.248%0.48134%0.341SS..SBendtrans-81.32.2173-65.1-29.3000111.6I53 C54 S95I53-N97 WeakPolarHBondContact CA-O 3.29Å; C54-N97 HydrophobicContact CB-CB 4.31Å; C54-N97 WeakPolarHBondContact CB-O 3.46Å; C54-N97 PolarHBondContact N-O 2.84Å; S95-N97 PolarHBondContact O-N 2.86Å
98E87.7Confident82.8Confident107 Ų10777.2 Ų77.250%0.538%0.378SS..EExtended strand (participates in β ladder)trans-135147.1-176.865.7-174.3-171.800110.7F52 L96F52-E98 CarbonylContact O-C 3.52Å; F52-E98 VanDerWaalsContact O-CA 3.24Å; F52-E98 WeakPolarHBondContact O-CA 3.16Å; L96-E98 WeakPolarHBondContact CB-O 3.29Å; L96-E98 PolarHBondContact O-N 2.96Å
99F89.6Confident82.9Confident40 Ų4081.3 Ų81.318%0.17540%0.398CS..EExtended strand (participates in β ladder)trans-133.7121.8171.5-179.7-104.3000109.1F52 L64 L87 L88 L101 L112F52-F99 HydrophobicContact CB-CB 4.49Å; F52-F99 HydrophobicContact CD2-CD1 4.16Å; F52-F99 PolarHBondContact N-O 3.03Å; F52-F99 PolarHBondContact O-N 3.45Å; L64-F99 HydrophobicContact CD2-CD1 4.21Å; L87-F99 HydrophobicContact CB-CD1 3.97Å; L87-F99 HydrophobicContact CB-CD2 4.47Å; L87-F99 HydrophobicContact CB-CE1 3.81Å; L87-F99 HydrophobicContact CB-CE2 4.35Å; L87-F99 HydrophobicContact CB-CG 4.3Å; L87-F99 HydrophobicContact CB-CZ 4.04Å; L87-F99 HydrophobicContact CD1-CD1 4.27Å; L87-F99 HydrophobicContact CD1-CE1 3.7Å; L87-F99 HydrophobicContact CD1-CZ 4.33Å; L87-F99 HydrophobicContact CD2-CE1 3.97Å; L87-F99 HydrophobicContact CD2-CE2 4.44Å; L87-F99 HydrophobicContact CD2-CZ 3.72Å; L87-F99 HydrophobicContact CG-CE1 4.01Å; L87-F99 HydrophobicContact CG-CZ 4.22Å; L88-F99 HydrophobicContact CB-CB 4.09Å; L88-F99 HydrophobicContact CD1-CB 4.08Å; L88-F99 HydrophobicContact CD2-CB 3.98Å; L88-F99 HydrophobicContact CG-CB 4.27Å; F99-L101 HydrophobicContact CD1-CB 4.36Å; F99-L101 HydrophobicContact CE1-CB 3.76Å; F99-L101 HydrophobicContact CZ-CB 4.48Å; F99-L112 HydrophobicContact CZ-CD2 3.82Å
100V91.9Very high82.8Confident79 Ų7986.5 Ų86.548%0.47943%0.432SS..EExtended strand (participates in β ladder)trans-104.2125.2178.5-176.20000108.7N49 I51N49-V100 HydrophobicContact CB-CG1 4.37Å; I51-V100 HydrophobicContact CG1-CG1 4.25Å; I51-V100 HydrophobicContact CG1-CG2 4.25Å; I51-V100 HydrophobicContact CG2-CG2 4.29Å
101L93.4Very high83Confident3 Ų388.1 Ų88.12%0.01644%0.443CS..EExtended strand (participates in β ladder)trans-122.7117.5177.4174.764.9000109.4L50 F99 L112 P113 F115 F123L50-L101 HydrophobicContact CB-CB 4.29Å; L50-L101 HydrophobicContact CD1-CD2 4.32Å; L50-L101 PolarHBondContact N-O 3.26Å; L50-L101 PolarHBondContact O-N 3.26Å; F99-L101 HydrophobicContact CD1-CB 4.36Å; F99-L101 HydrophobicContact CE1-CB 3.76Å; F99-L101 HydrophobicContact CZ-CB 4.48Å; L101-L112 HydrophobicContact CD1-CB 4.32Å; L101-L112 HydrophobicContact CD1-CD1 4.09Å; L101-L112 HydrophobicContact CD1-CD2 4.22Å; L101-L112 HydrophobicContact CD1-CG 4.44Å; L101-P113 HydrophobicContact CD1-CG 4.21Å; L101-P113 HydrophobicContact CD2-CG 3.6Å; L101-F115 HydrophobicContact CD2-CE2 3.99Å; L101-F115 HydrophobicContact CD2-CZ 3.94Å; L101-F115 HydrophobicContact CG-CE2 4.36Å; L101-F123 HydrophobicContact CD2-CE1 3.91Å; L101-F123 HydrophobicContact CD2-CZ 3.59Å
102K93.2Very high83.7Confident123 Ų12385 Ų8554%0.53543%0.431SS..EExtended strand (participates in β ladder)trans-76127171-170.8174.2-178.2179.40109.8S104K102-S104 PolarHBondContact O-N 2.83Å
103V92.3Very high84.7Confident0 Ų082.5 Ų82.50%041%0.414CS..  trans-68.8115.2173.4179.40000107.7V44 N45 G47 D48 L50 F115 L141V44-V103 HydrophobicContact CB-CG1 4.47Å; V44-V103 HydrophobicContact CB-CG2 4.13Å; V44-V103 HydrophobicContact CG2-CB 4.5Å; V44-V103 HydrophobicContact CG2-CG1 3.82Å; V44-V103 HydrophobicContact CG2-CG2 3.87Å; N45-V103 WeakPolarHBondContact O-CG1 3.49Å; G47-V103 WeakPolarHBondContact CA-O 3.33Å; G47-V103 PolarHBondContact N-O 3.15Å; D48-V103 HydrophobicContact CB-CB 4.47Å; D48-V103 HydrophobicContact CB-CG2 4.24Å; D48-V103 WeakPolarHBondContact O-CB 3.33Å; D48-V103 WeakPolarHBondContact O-CG2 3.18Å; D48-V103 PolarHBondContact O-N 2.9Å; L50-V103 HydrophobicContact CD1-CG2 4.06Å; L50-V103 HydrophobicContact CD2-CG2 4.45Å; L50-V103 HydrophobicContact CG-CG2 3.81Å; V103-F115 HydrophobicContact CB-CD2 4.5Å; V103-F115 HydrophobicContact CG1-CB 4.1Å; V103-F115 HydrophobicContact CG1-CD1 4.01Å; V103-F115 HydrophobicContact CG1-CD2 4.06Å; V103-F115 HydrophobicContact CG1-CE1 4.46Å; V103-F115 HydrophobicContact CG1-CG 3.78Å; V103-F115 HydrophobicContact CG2-CE1 4.46Å; V103-F115 HydrophobicContact CG2-CE2 4.48Å; V103-F115 HydrophobicContact CG2-CZ 4.3Å; V103-L141 HydrophobicContact CG1-CD1 3.83Å
104S91.3Very high86.1Confident22 Ų2277 Ų7715%0.15440%0.395CS..  trans-149.2142.8-178.9-177.90000111E46 K102 F106 F115E46-S104 VanDerWaalsContact OE1-CA 3.29Å; E46-S104 WeakPolarHBondContact OE1-CA 3.48Å; K102-S104 PolarHBondContact O-N 2.83Å; S104-F106 PolarHBondContact OG-N 2.78Å; S104-F106 PolarHBondContact OG-O 2.82Å; S104-F115 PolarHBondContact O-N 3.05Å; S104-F115 VanDerWaalsContact O-N 3.09Å
105R90.9Very high87.3Confident46 Ų4667.3 Ų67.317%0.17435%0.353CS..SBendtrans-73.3-20.5165.6-63.3-176.761.4-173.6-13112.5E46 T114 F115 L141 E213E46-R105 PolarHBondContact OE1-N 2.86Å; E46-R105 PolarHBondContact OE2-N 2.82Å; R105-T114 WeakPolarHBondContact O-CG2 3.41Å; R105-F115 WeakPolarHBondContact CG-O 3.4Å; R105-L141 HydrophobicContact CG-CD2 3.74Å; R105-E213 VanDerWaalsContact CZ-CD 3.45Å; R105-E213 IonicContact CZ-OE1 3.38Å; R105-E213 IonicContact CZ-OE2 2.86Å; R105-E213 IonicContact NH1-OE1 3.36Å; R105-E213 PolarHBondContact NH1-OE1 3.38Å; R105-E213 IonicContact NH1-OE2 3.8Å; R105-E213 PolarHBondContact NH1-OE2 2.84Å; R105-E213 VanDerWaalsContact NH2-CD 3.31Å; R105-E213 IonicContact NH2-OE1 2.9Å; R105-E213 PolarHBondContact NH2-OE1 3.44Å; R105-E213 IonicContact NH2-OE2 3.85Å; R105-E213 PolarHBondContact NH2-OE2 2.89Å
106F89.4Confident88.6Confident113 Ų11368 Ų6850%0.49635%0.354SS..SBendtrans-127.777.9-179.3-54.2-71.8000109.1S104 F216S104-F106 PolarHBondContact OG-N 2.78Å; S104-F106 PolarHBondContact OG-O 2.82Å; F106-F216 HydrophobicContact CD2-CE1 4.27Å; F106-F216 HydrophobicContact CE2-CE1 4.28Å
107P87.7Confident89.4Confident35 Ų3564.6 Ų64.623%0.22733%0.333CS..  trans-65.9138.6176.827.8-33.5000110.1I109 L112 T114P107-I109 PolarHBondContact O-N 2.92Å; P107-L112 HydrophobicContact CB-CB 4.1Å; P107-T114 WeakPolarHBondContact CD-OG1 3.46Å
108E84.7Confident89.7Confident197 Ų19765.3 Ų65.392%0.92134%0.337SS*.SBendtrans-66.6-27.8177.6-64.8174.9-162.600112.1
109I86.9Confident89.8Confident94 Ų9464.4 Ų64.448%0.48233%0.334SS..SBendtrans-109.9123.7-178-56.1173.7000108.8P107 S111 L112P107-I109 PolarHBondContact O-N 2.92Å; I109-S111 VanDerWaalsContact CG2-OG 3.31Å; I109-S111 WeakPolarHBondContact CG2-OG 3.42Å; I109-S111 PolarHBondContact O-N 2.83Å; I109-S111 VanDerWaalsContact O-N 3.13Å; I109-L112 HydrophobicContact CB-CD1 3.94Å; I109-L112 HydrophobicContact CB-CG 3.96Å; I109-L112 HydrophobicContact CD1-CD1 4.14Å; I109-L112 HydrophobicContact CG1-CD1 4.38Å; I109-L112 HydrophobicContact CG2-CG 4.31Å; I109-L112 WeakPolarHBondContact O-CB 3.36Å; I109-L112 PolarHBondContact O-N 2.8Å; I109-L112 VanDerWaalsContact O-N 3.07Å
110T84.2Confident89.9Confident148 Ų14863.6 Ų63.691%0.90833%0.333SS*.THydrogen-bonded Turntrans-64.6-18.2-175.454.70000114.9
111S86.1Confident90Very high52 Ų5259.8 Ų59.836%0.36431%0.31SS..THydrogen-bonded Turntrans-88.8-1.7177.264.30000113.9W66 I85 I109W66-S111 VanDerWaalsContact CE2-O 3.28Å; W66-S111 WeakPolarHBondContact CZ2-O 3.22Å; W66-S111 PolarHBondContact NE1-O 3.22Å; I85-S111 WeakPolarHBondContact CD1-O 3.45Å; I109-S111 VanDerWaalsContact CG2-OG 3.31Å; I109-S111 WeakPolarHBondContact CG2-OG 3.42Å; I109-S111 PolarHBondContact O-N 2.83Å; I109-S111 VanDerWaalsContact O-N 3.13Å
112L90.5Very high90Very high33 Ų3360 Ų6017%0.17331%0.311CS..SBendtrans-92.4154.5175.1-65.6-176.8000110.9W66 L87 F99 L101 P107 I109 T114W66-L112 VanDerWaalsContact CZ2-C 3.45Å; L87-L112 HydrophobicContact CD2-CD2 3.84Å; F99-L112 HydrophobicContact CZ-CD2 3.82Å; L101-L112 HydrophobicContact CD1-CB 4.32Å; L101-L112 HydrophobicContact CD1-CD1 4.09Å; L101-L112 HydrophobicContact CD1-CD2 4.22Å; L101-L112 HydrophobicContact CD1-CG 4.44Å; P107-L112 HydrophobicContact CB-CB 4.1Å; I109-L112 HydrophobicContact CB-CD1 3.94Å; I109-L112 HydrophobicContact CB-CG 3.96Å; I109-L112 HydrophobicContact CD1-CD1 4.14Å; I109-L112 HydrophobicContact CG1-CD1 4.38Å; I109-L112 HydrophobicContact CG2-CG 4.31Å; I109-L112 WeakPolarHBondContact O-CB 3.36Å; I109-L112 PolarHBondContact O-N 2.8Å; I109-L112 VanDerWaalsContact O-N 3.07Å; L112-T114 PolarHBondContact O-N 2.89Å
113P92.1Very high90Very high2 Ų254.1 Ų54.11%0.01329%0.286CS..PPolyproline II helixtrans-66.3134.9178.726.3-34.3000111.8W66 L101 F115 V121 F123W66-P113 HydrophobicContact CD2-CB 3.92Å; W66-P113 HydrophobicContact CD2-CG 4.25Å; W66-P113 HydrophobicContact CE3-CB 3.66Å; W66-P113 HydrophobicContact CE3-CG 4.45Å; W66-P113 HydrophobicContact CG-CG 4.49Å; W66-P113 HydrophobicContact CH2-CB 4.21Å; W66-P113 HydrophobicContact CZ2-CB 4.41Å; W66-P113 HydrophobicContact CZ3-CB 3.83Å; L101-P113 HydrophobicContact CD1-CG 4.21Å; L101-P113 HydrophobicContact CD2-CG 3.6Å; P113-F115 HydrophobicContact CB-CE2 4.27Å; P113-F115 HydrophobicContact CG-CE2 3.86Å; P113-F115 HydrophobicContact CG-CZ 4.23Å; P113-V121 HydrophobicContact CB-CB 4.31Å; P113-V121 HydrophobicContact CB-CG1 3.43Å; P113-V121 VanDerWaalsContact CB-CG1 3.43Å; P113-V121 HydrophobicContact CB-CG2 3.89Å; P113-V121 HydrophobicContact CG-CG1 3.96Å; P113-F123 HydrophobicContact CG-CZ 4.37Å
114T92.2Very high89.9Confident68 Ų6854.3 Ų54.342%0.41729%0.287SS..PPolyproline II helixtrans-83.9121.7162.4-63.90000108.7R105 P107 L112R105-T114 WeakPolarHBondContact O-CG2 3.41Å; P107-T114 WeakPolarHBondContact CD-OG1 3.46Å; L112-T114 PolarHBondContact O-N 2.89Å
115F92.4Very high89.7Confident0 Ų053.4 Ų53.40%028%0.281CS..PPolyproline II helixtrans-83.4140.5174.6-69.9-97.7000110.1V44 L50 L101 V103 S104 R105 P113 V121 F123 F139V44-F115 HydrophobicContact CG2-CD1 4.41Å; V44-F115 HydrophobicContact CG2-CE1 4.44Å; L50-F115 HydrophobicContact CD1-CE1 4.18Å; L50-F115 HydrophobicContact CD1-CZ 3.8Å; L101-F115 HydrophobicContact CD2-CE2 3.99Å; L101-F115 HydrophobicContact CD2-CZ 3.94Å; L101-F115 HydrophobicContact CG-CE2 4.36Å; V103-F115 HydrophobicContact CB-CD2 4.5Å; V103-F115 HydrophobicContact CG1-CB 4.1Å; V103-F115 HydrophobicContact CG1-CD1 4.01Å; V103-F115 HydrophobicContact CG1-CD2 4.06Å; V103-F115 HydrophobicContact CG1-CE1 4.46Å; V103-F115 HydrophobicContact CG1-CG 3.78Å; V103-F115 HydrophobicContact CG2-CE1 4.46Å; V103-F115 HydrophobicContact CG2-CE2 4.48Å; V103-F115 HydrophobicContact CG2-CZ 4.3Å; S104-F115 PolarHBondContact O-N 3.05Å; S104-F115 VanDerWaalsContact O-N 3.09Å; R105-F115 WeakPolarHBondContact CG-O 3.4Å; P113-F115 HydrophobicContact CB-CE2 4.27Å; P113-F115 HydrophobicContact CG-CE2 3.86Å; P113-F115 HydrophobicContact CG-CZ 4.23Å; F115-V121 HydrophobicContact CD1-CB 4.4Å; F115-V121 HydrophobicContact CD1-CG2 3.88Å; F115-V121 HydrophobicContact CE1-CB 4.05Å; F115-V121 HydrophobicContact CE1-CG2 3.97Å; F115-V121 HydrophobicContact CG-CG2 4.23Å; F115-V121 HydrophobicContact CZ-CB 4.46Å; F115-V121 HydrophobicContact CZ-CG2 4.39Å; F115-F123 HydrophobicContact CZ-CZ 4.28Å; F115-F139 HydrophobicContact CE1-CB 3.83Å
116D90.5Very high89.4Confident49 Ų4954 Ų5426%0.26229%0.285SS..  trans-137.5156176.1-167.3-52.5000108.6N118 I119 L141D116-N118 PolarHBondContact O-N 3.02Å; D116-N118 PolarHBondContact OD1-N 3.36Å; D116-I119 HydrophobicContact CB-CB 4.17Å; D116-I119 HydrophobicContact CB-CG1 4.48Å; D116-L141 PolarHBondContact O-N 3.41Å
117Y88.5Confident89.1Confident55 Ų5550 Ų5022%0.21627%0.271CS..SBendtrans-66.6-22.4175.4-58.1-67.1000113.8K140 L141 A142 K143Y117-K140 WeakPolarHBondContact O-CE 3.43Å; Y117-L141 HydrophobicContact CD1-CB 3.81Å; Y117-L141 HydrophobicContact CD1-CD2 3.7Å; Y117-L141 HydrophobicContact CD1-CG 3.77Å; Y117-L141 HydrophobicContact CD2-CD2 4.5Å; Y117-L141 HydrophobicContact CE1-CB 4.21Å; Y117-L141 HydrophobicContact CE1-CD2 3.36Å; Y117-L141 HydrophobicContact CE1-CG 3.61Å; Y117-L141 HydrophobicContact CE2-CD2 4.26Å; Y117-L141 HydrophobicContact CG-CB 4.46Å; Y117-L141 HydrophobicContact CG-CD2 4.25Å; Y117-A142 VanDerWaalsContact CE1-O 3.27Å; Y117-A142 WeakPolarHBondContact CE1-O 3.29Å; Y117-K143 HydrophobicContact CD1-CG 3.82Å; Y117-K143 HydrophobicContact CG-CG 4.12Å
118N87.6Confident88.9Confident105 Ų10554.7 Ų54.756%0.56129%0.288SS*.SBendtrans-111.4-18.8-175.5-60.6-47000113.3D116 K143D116-N118 PolarHBondContact O-N 3.02Å; D116-N118 PolarHBondContact OD1-N 3.36Å; N118-K143 PolarHBondContact OD1-NZ 3.07Å
119I90.1Very high88.9Confident88 Ų8846 Ų4645%0.45125%0.248SC..SBendtrans-113.6112.5-174.3-55.5173.2000108.9D116D116-I119 HydrophobicContact CB-CB 4.17Å; D116-I119 HydrophobicContact CB-CG1 4.48Å
120P92.5Very high88.9Confident23 Ų2341.5 Ų41.515%0.14923%0.225CC..PPolyproline II helixtrans-72.4142.5174.729.6-33.6000111.2H122 F139P120-H122 VanDerWaalsContact CG-CE1 3.49Å; P120-H122 WeakPolarHBondContact CG-CE1 3.43Å; P120-F139 CarbonylContact C-O 3.58Å; P120-F139 VanDerWaalsContact CA-O 3.31Å; P120-F139 WeakPolarHBondContact CA-O 3.36Å
121V93.8Very high89Confident0 Ų040.3 Ų40.30%021%0.209CC..EExtended strand (participates in β ladder)trans-94.3124.9170.5177.70000108.2W66 P113 F115 F123 S138 F139W66-V121 HydrophobicContact CE3-CG1 4.33Å; P113-V121 HydrophobicContact CB-CB 4.31Å; P113-V121 HydrophobicContact CB-CG1 3.43Å; P113-V121 VanDerWaalsContact CB-CG1 3.43Å; P113-V121 HydrophobicContact CB-CG2 3.89Å; P113-V121 HydrophobicContact CG-CG1 3.96Å; F115-V121 HydrophobicContact CD1-CB 4.4Å; F115-V121 HydrophobicContact CD1-CG2 3.88Å; F115-V121 HydrophobicContact CE1-CB 4.05Å; F115-V121 HydrophobicContact CE1-CG2 3.97Å; F115-V121 HydrophobicContact CG-CG2 4.23Å; F115-V121 HydrophobicContact CZ-CB 4.46Å; F115-V121 HydrophobicContact CZ-CG2 4.39Å; V121-F123 HydrophobicContact CB-CE2 4.31Å; V121-F123 HydrophobicContact CG1-CD2 4.38Å; V121-F123 HydrophobicContact CG1-CE2 3.67Å; V121-F123 HydrophobicContact CG1-CZ 3.8Å; V121-S138 CarbonylContact O-C 3.54Å; V121-S138 VanDerWaalsContact O-CA 3.29Å; V121-S138 WeakPolarHBondContact O-CA 3.34Å; V121-F139 PolarHBondContact N-O 2.89Å; V121-F139 PolarHBondContact O-N 3.2Å
122H93.1Very high89Confident7 Ų744.8 Ų44.83%0.03222%0.222CC..EExtended strand (participates in β ladder)trans-102127-176.8-52.1-55.1000111.2W66 T67 P70 K73 P120 L137 S138W66-H122 CarbonylContact C-O 3.53Å; W66-H122 VanDerWaalsContact CA-O 3.25Å; W66-H122 WeakPolarHBondContact CA-O 3.31Å; T67-H122 HydrophobicContact CG2-CB 4.02Å; T67-H122 PolarHBondContact N-O 3.47Å; T67-H122 WeakPolarHBondContact O-CA 3.26Å; T67-H122 WeakPolarHBondContact O-CB 3.21Å; T67-H122 PolarHBondContact O-N 2.61Å; P70-H122 WeakPolarHBondContact CA-NE2 3.47Å; K73-H122 HydrophobicContact CB-CB 4.14Å; P120-H122 VanDerWaalsContact CG-CE1 3.49Å; P120-H122 WeakPolarHBondContact CG-CE1 3.43Å; H122-L137 WeakPolarHBondContact CA-O 3.18Å; H122-S138 PolarHBondContact ND1-OG 2.89Å
123F92.5Very high88.7Confident0 Ų045.8 Ų45.80%023%0.227CC..EExtended strand (participates in β ladder)trans-106.5129.6172.5-62.8-90.6000109.1W28 L50 F52 L64 Y65 W66 L87 L101 P113 F115 V121 R136 L137 F139W28-F123 HydrophobicContact CH2-CB 3.9Å; W28-F123 HydrophobicContact CZ3-CB 4.37Å; L50-F123 HydrophobicContact CD1-CE2 4.27Å; L50-F123 HydrophobicContact CD1-CZ 4.26Å; F52-F123 HydrophobicContact CE1-CD1 4.32Å; F52-F123 HydrophobicContact CE1-CG 4.31Å; F52-F123 HydrophobicContact CE2-CD1 4.18Å; F52-F123 AromaticContact CE2-CE1 3.94Å; F52-F123 HydrophobicContact CE2-CE1 3.94Å; F52-F123 HydrophobicContact CE2-CZ 4.32Å; F52-F123 AromaticContact CZ-CD1 3.69Å; F52-F123 HydrophobicContact CZ-CD1 3.69Å; F52-F123 HydrophobicContact CZ-CD2 4.15Å; F52-F123 AromaticContact CZ-CE1 3.81Å; F52-F123 HydrophobicContact CZ-CE1 3.81Å; F52-F123 HydrophobicContact CZ-CE2 4.26Å; F52-F123 AromaticContact CZ-CG 3.86Å; F52-F123 HydrophobicContact CZ-CG 3.86Å; F52-F123 HydrophobicContact CZ-CZ 4.1Å; L64-F123 HydrophobicContact CD1-CB 4Å; L64-F123 HydrophobicContact CD1-CD1 4Å; L64-F123 HydrophobicContact CD1-CG 4.44Å; L64-F123 HydrophobicContact CG-CD1 4.42Å; Y65-F123 CarbonylContact O-C 3.52Å; Y65-F123 VanDerWaalsContact O-CA 3.3Å; Y65-F123 WeakPolarHBondContact O-CA 3.49Å; W66-F123 HydrophobicContact CB-CD1 3.99Å; W66-F123 HydrophobicContact CB-CE1 3.98Å; L87-F123 HydrophobicContact CD1-CD1 4.07Å; L87-F123 HydrophobicContact CD1-CE1 3.7Å; L101-F123 HydrophobicContact CD2-CE1 3.91Å; L101-F123 HydrophobicContact CD2-CZ 3.59Å; P113-F123 HydrophobicContact CG-CZ 4.37Å; F115-F123 HydrophobicContact CZ-CZ 4.28Å; V121-F123 HydrophobicContact CB-CE2 4.31Å; V121-F123 HydrophobicContact CG1-CD2 4.38Å; V121-F123 HydrophobicContact CG1-CE2 3.67Å; V121-F123 HydrophobicContact CG1-CZ 3.8Å; F123-R136 CarbonylContact O-C 3.57Å; F123-R136 WeakPolarHBondContact O-CA 3.47Å; F123-L137 PolarHBondContact N-O 2.98Å; F123-L137 PolarHBondContact O-N 3.09Å; F123-F139 AromaticContact CD2-CD2 3.63Å; F123-F139 HydrophobicContact CD2-CD2 3.63Å; F123-F139 HydrophobicContact CD2-CE2 4.14Å; F123-F139 HydrophobicContact CE2-CB 4.43Å; F123-F139 AromaticContact CE2-CD2 3.6Å; F123-F139 HydrophobicContact CE2-CD2 3.6Å; F123-F139 HydrophobicContact CE2-CE2 4.35Å; F123-F139 HydrophobicContact CE2-CG 4.39Å
124I90.1Very high88.5Confident4 Ų447.6 Ų47.62%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-136.6144.9-173.564.5-178.3000110.9Y65 T67 V72 V84 R136Y65-I124 PolarHBondContact N-O 3.07Å; Y65-I124 PolarHBondContact O-N 3.2Å; T67-I124 HydrophobicContact CG2-CD1 4.45Å; V72-I124 HydrophobicContact CG1-CD1 3.3Å; V84-I124 HydrophobicContact CG1-CD1 4.4Å; I124-R136 HydrophobicContact CG2-CB 4.04Å
125A88.2Confident88.3Confident3 Ų344.3 Ų44.33%0.02522%0.217CC..  trans-76.9174.417000000111.3W28 S127 I129 C130 I135W28-A125 HydrophobicContact CZ2-CB 4.3Å; A125-S127 PolarHBondContact O-N 3.41Å; A125-I129 HydrophobicContact CB-CB 4.33Å; A125-I129 HydrophobicContact CB-CG2 4.22Å; A125-C130 HydrophobicContact CB-CB 4.31Å; A125-I135 HydrophobicContact CB-CB 3.77Å; A125-I135 HydrophobicContact CB-CG2 3.84Å; A125-I135 PolarHBondContact N-O 2.85Å
126H84.7Confident88.2Confident57 Ų5746.8 Ų46.826%0.26423%0.226SC..  trans-52140.7169.1-167.7-69000111Y65 K78 F128 I129 C130Y65-H126 HydrophobicContact CE2-CB 4.36Å; K78-H126 PolarHBondContact NZ-CD2 3.36Å; K78-H126 PolarHBondContact NZ-NE2 2.83Å; H126-F128 VanDerWaalsContact C-N 3.34Å; H126-F128 PolarHBondContact O-N 2.8Å; H126-F128 VanDerWaalsContact O-N 3.11Å; H126-I129 PolarHBondContact O-N 2.8Å; H126-C130 PolarHBondContact O-N 3.18Å
127S83.2Confident88.2Confident29 Ų2944.5 Ų44.520%0.20321%0.214CC..Hα-helixtrans-42.4-53.2-17254.40000114.7C76 A125 I129 C130 Q131C76-S127 WeakPolarHBondContact O-CA 3.35Å; C76-S127 WeakPolarHBondContact O-CB 3.44Å; A125-S127 PolarHBondContact O-N 3.41Å; S127-I129 PolarHBondContact O-N 2.72Å; S127-C130 PolarHBondContact O-N 2.84Å; S127-Q131 WeakPolarHBondContact O-CB 3.25Å; S127-Q131 WeakPolarHBondContact O-CG 3.44Å; S127-Q131 PolarHBondContact O-N 2.75Å
128F83.1Confident88.5Confident134 Ų13441.9 Ų41.959%0.58820%0.204SC*.Hα-helixtrans-55.5-44.9177.8-177.8-102.7000113.9H126 K132H126-F128 VanDerWaalsContact C-N 3.34Å; H126-F128 PolarHBondContact O-N 2.8Å; H126-F128 VanDerWaalsContact O-N 3.11Å; F128-K132 HydrophobicContact CE1-CD 4.44Å; F128-K132 VanDerWaalsContact O-CB 3.31Å; F128-K132 WeakPolarHBondContact O-CB 3.44Å; F128-K132 PolarHBondContact O-N 2.84Å; F128-K132 VanDerWaalsContact O-N 3.1Å
129I84.1Confident88.8Confident14 Ų1437 Ų377%0.07218%0.177CC..Hα-helixtrans-77.5-38.5-179.2-59.6-60000111.3V61 R62 A125 H126 S127 Q131 K132 N133 I135V61-I129 WeakPolarHBondContact O-CG1 3.29Å; R62-I129 HydrophobicContact CG-CG2 4.44Å; A125-I129 HydrophobicContact CB-CB 4.33Å; A125-I129 HydrophobicContact CB-CG2 4.22Å; H126-I129 PolarHBondContact O-N 2.8Å; S127-I129 PolarHBondContact O-N 2.72Å; I129-Q131 VanDerWaalsContact C-N 3.29Å; I129-Q131 PolarHBondContact O-N 3.33Å; I129-K132 PolarHBondContact O-N 3.09Å; I129-N133 PolarHBondContact O-N 3.48Å; I129-I135 HydrophobicContact CG2-CD1 3.44Å; I129-I135 VanDerWaalsContact CG2-CD1 3.44Å; I129-I135 HydrophobicContact CG2-CG1 4.09Å
130C87.3Confident88.9Confident0 Ų034.7 Ų34.70%016%0.164CC..Hα-helixtrans-58.2-43.4174-176.80000110.7C76 A125 H126 S127 N134C76-C130 HydrophobicContact CB-CB 3.54Å; C76-C130 WeakPolarHBondContact CB-SG 3.3Å; C76-C130 WeakPolarHBondContact SG-CB 3.31Å; C76-C130 PolarHBondContact SG-O 2.63Å; C76-C130 VanDerWaalsContact SG-O 3.37Å; C76-C130 CovalentContact SG-SG 2.04Å; C76-C130 PolarHBondContact SG-SG 3.36Å; A125-C130 HydrophobicContact CB-CB 4.31Å; H126-C130 PolarHBondContact O-N 3.18Å; S127-C130 PolarHBondContact O-N 2.84Å; C130-N134 WeakPolarHBondContact O-CA 3.44Å; C130-N134 PolarHBondContact O-N 2.9Å
131Q86.3Confident88.9Confident124 Ų12433.7 Ų33.758%0.57916%0.157SC*.Hα-helixtrans-70.4-41.9178.1-71.5177.4-14.600113K75 C76 S127 I129K75-Q131 PolarHBondContact O-NE2 2.93Å; C76-Q131 HydrophobicContact CB-CB 4.49Å; C76-Q131 HydrophobicContact CB-CG 3.46Å; C76-Q131 VanDerWaalsContact CB-CG 3.46Å; S127-Q131 WeakPolarHBondContact O-CB 3.25Å; S127-Q131 WeakPolarHBondContact O-CG 3.44Å; S127-Q131 PolarHBondContact O-N 2.75Å; I129-Q131 VanDerWaalsContact C-N 3.29Å; I129-Q131 PolarHBondContact O-N 3.33Å
132K86.1Confident88.7Confident146 Ų14634.6 Ų34.664%0.63517%0.165SC*.Hα-helixtrans-74.8-40.3-174.9-171.6-173.9174.4-178.30113F128 I129F128-K132 HydrophobicContact CE1-CD 4.44Å; F128-K132 VanDerWaalsContact O-CB 3.31Å; F128-K132 WeakPolarHBondContact O-CB 3.44Å; F128-K132 PolarHBondContact O-N 2.84Å; F128-K132 VanDerWaalsContact O-N 3.1Å; I129-K132 PolarHBondContact O-N 3.09Å
133N84.4Confident88.3Confident53 Ų5339 Ų3928%0.28318%0.184SC..Hα-helixtrans-119.65.3-168.9-67.659.5000112.5A30 I129 I135A30-N133 HydrophobicContact CB-CB 4.03Å; A30-N133 WeakPolarHBondContact CB-ND2 3.07Å; I129-N133 PolarHBondContact O-N 3.48Å; N133-I135 HydrophobicContact CB-CD1 4.14Å; N133-I135 HydrophobicContact CB-CG1 3.77Å; N133-I135 PolarHBondContact O-N 2.85Å; N133-I135 VanDerWaalsContact O-N 3.12Å
134N87.4Confident87.1Confident40 Ų4045 Ų4521%0.21422%0.216CC..  trans53.732.9-179.5-166.346.5000113.6N38 C130 R136N38-N134 PolarHBondContact OD1-ND2 2.89Å; C130-N134 WeakPolarHBondContact O-CA 3.44Å; C130-N134 PolarHBondContact O-N 2.9Å; N134-R136 VanDerWaalsContact C-N 3.3Å; N134-R136 PolarHBondContact O-N 3.24Å; N134-R136 PolarHBondContact OD1-NE 2.8Å; N134-R136 PolarHBondContact OD1-NH2 3.46Å
135I87.6Confident85.3Confident0 Ų049.6 Ų49.60%025%0.249CC..  trans-75.786.1179.8-52.3-173.5000109.3W28 A30 F35 A125 I129 N133W28-I135 HydrophobicContact CD2-CG2 4.3Å; W28-I135 HydrophobicContact CH2-CG2 4.19Å; W28-I135 HydrophobicContact CZ2-CG2 3.89Å; A30-I135 HydrophobicContact CB-CD1 3.91Å; F35-I135 HydrophobicContact CD1-CB 4.37Å; F35-I135 HydrophobicContact CD1-CG2 4.04Å; F35-I135 HydrophobicContact CD2-CG2 4.46Å; F35-I135 HydrophobicContact CE1-CB 4.35Å; F35-I135 HydrophobicContact CE1-CG2 3.55Å; F35-I135 HydrophobicContact CE2-CG2 4.06Å; F35-I135 HydrophobicContact CG-CG2 4.46Å; F35-I135 HydrophobicContact CZ-CG2 3.6Å; A125-I135 HydrophobicContact CB-CB 3.77Å; A125-I135 HydrophobicContact CB-CG2 3.84Å; A125-I135 PolarHBondContact N-O 2.85Å; I129-I135 HydrophobicContact CG2-CD1 3.44Å; I129-I135 VanDerWaalsContact CG2-CD1 3.44Å; I129-I135 HydrophobicContact CG2-CG1 4.09Å; N133-I135 HydrophobicContact CB-CD1 4.14Å; N133-I135 HydrophobicContact CB-CG1 3.77Å; N133-I135 PolarHBondContact O-N 2.85Å; N133-I135 VanDerWaalsContact O-N 3.12Å
136R90.1Very high83.2Confident52 Ų5253.3 Ų53.320%0.19627%0.271CS..EExtended strand (participates in β ladder)trans-150.2143.5175.660.6-172.6-179.2-173.3-7.8109.6K73 M74 F123 I124 N134K73-R136 HydrophobicContact CG-CB 4.5Å; K73-R136 HydrophobicContact CG-CG 4.46Å; K73-R136 WeakPolarHBondContact O-CD 3.4Å; K73-R136 PolarHBondContact O-NH1 2.86Å; M74-R136 PolarHBondContact O-NH1 3.32Å; F123-R136 CarbonylContact O-C 3.57Å; F123-R136 WeakPolarHBondContact O-CA 3.47Å; I124-R136 HydrophobicContact CG2-CB 4.04Å; N134-R136 VanDerWaalsContact C-N 3.3Å; N134-R136 PolarHBondContact O-N 3.24Å; N134-R136 PolarHBondContact OD1-NE 2.8Å; N134-R136 PolarHBondContact OD1-NH2 3.46Å
137L92.3Very high80.8Confident1 Ų158.6 Ų58.61%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-135.7160.6175.7-71.8172.9000110I26 W28 I34 F35 P39 L42 H122 F123 F139I26-L137 HydrophobicContact CD1-CD1 4.36Å; I26-L137 HydrophobicContact CG2-CD1 3.88Å; W28-L137 HydrophobicContact CZ3-CD1 4.2Å; I34-L137 HydrophobicContact CD1-CD1 4.18Å; I34-L137 HydrophobicContact CD1-CD2 4.13Å; I34-L137 HydrophobicContact CG1-CD2 4.07Å; I34-L137 HydrophobicContact CG2-CD1 4.31Å; I34-L137 HydrophobicContact CG2-CD2 4.44Å; F35-L137 HydrophobicContact CD1-CD2 4.4Å; F35-L137 HydrophobicContact CD1-CG 4.25Å; F35-L137 HydrophobicContact CE1-CD1 3.81Å; F35-L137 HydrophobicContact CE1-CD2 4.28Å; F35-L137 HydrophobicContact CE1-CG 3.68Å; F35-L137 HydrophobicContact CZ-CD1 4.15Å; F35-L137 HydrophobicContact CZ-CG 4.49Å; P39-L137 HydrophobicContact CG-CD2 4.03Å; L42-L137 HydrophobicContact CD1-CD2 4.08Å; H122-L137 WeakPolarHBondContact CA-O 3.18Å; F123-L137 PolarHBondContact N-O 2.98Å; F123-L137 PolarHBondContact O-N 3.09Å; L137-F139 HydrophobicContact CB-CE2 4.01Å; L137-F139 HydrophobicContact CD1-CE2 4.3Å
138S93.5Very high78.8Confident0 Ų062.5 Ų62.50%032%0.32CS..EExtended strand (participates in β ladder)trans-137.8132.6175.1-59.70000109.6D40 L42 K73 V121 H122D40-S138 WeakPolarHBondContact O-CB 3.39Å; L42-S138 PolarHBondContact N-O 3.26Å; K73-S138 VanDerWaalsContact CD-OG 3.26Å; K73-S138 WeakPolarHBondContact CD-OG 3.42Å; K73-S138 WeakPolarHBondContact CE-OG 3.29Å; K73-S138 PolarHBondContact NZ-OG 2.78Å; V121-S138 CarbonylContact O-C 3.54Å; V121-S138 VanDerWaalsContact O-CA 3.29Å; V121-S138 WeakPolarHBondContact O-CA 3.34Å; H122-S138 PolarHBondContact ND1-OG 2.89Å
139F94Very high76.8Confident2 Ų265.6 Ų65.61%0.00933%0.333CS..EExtended strand (participates in β ladder)trans-118.3141.7179.9-73.7-86.4000110I26 L42 V44 L50 F115 P120 V121 F123 L137I26-F139 HydrophobicContact CD1-CE2 3.85Å; I26-F139 HydrophobicContact CD1-CZ 3.48Å; I26-F139 VanDerWaalsContact CD1-CZ 3.48Å; L42-F139 HydrophobicContact CB-CD1 3.69Å; L42-F139 HydrophobicContact CB-CE1 3.62Å; L42-F139 HydrophobicContact CB-CG 4.44Å; L42-F139 HydrophobicContact CB-CZ 4.3Å; L42-F139 HydrophobicContact CD1-CD1 4.45Å; L42-F139 HydrophobicContact CD1-CE1 3.66Å; L42-F139 HydrophobicContact CD1-CE2 4.27Å; L42-F139 HydrophobicContact CD1-CZ 3.54Å; L42-F139 HydrophobicContact CG-CE1 4.3Å; L42-F139 CarbonylContact O-C 3.49Å; L42-F139 VanDerWaalsContact O-CA 3.27Å; L42-F139 WeakPolarHBondContact O-CA 3.13Å; V44-F139 HydrophobicContact CG1-CD1 3.53Å; V44-F139 HydrophobicContact CG1-CE1 3.91Å; V44-F139 HydrophobicContact CG2-CB 4.3Å; V44-F139 HydrophobicContact CG2-CD1 4.24Å; L50-F139 HydrophobicContact CD1-CD1 4.32Å; L50-F139 HydrophobicContact CD1-CD2 4.15Å; L50-F139 HydrophobicContact CD1-CE2 4.44Å; L50-F139 HydrophobicContact CD1-CG 4.08Å; L50-F139 HydrophobicContact CD2-CD1 4.06Å; L50-F139 HydrophobicContact CD2-CE1 3.75Å; L50-F139 HydrophobicContact CD2-CZ 4.07Å; F115-F139 HydrophobicContact CE1-CB 3.83Å; P120-F139 CarbonylContact C-O 3.58Å; P120-F139 VanDerWaalsContact CA-O 3.31Å; P120-F139 WeakPolarHBondContact CA-O 3.36Å; V121-F139 PolarHBondContact N-O 2.89Å; V121-F139 PolarHBondContact O-N 3.2Å; F123-F139 AromaticContact CD2-CD2 3.63Å; F123-F139 HydrophobicContact CD2-CD2 3.63Å; F123-F139 HydrophobicContact CD2-CE2 4.14Å; F123-F139 HydrophobicContact CE2-CB 4.43Å; F123-F139 AromaticContact CE2-CD2 3.6Å; F123-F139 HydrophobicContact CE2-CD2 3.6Å; F123-F139 HydrophobicContact CE2-CE2 4.35Å; F123-F139 HydrophobicContact CE2-CG 4.39Å; L137-F139 HydrophobicContact CB-CE2 4.01Å; L137-F139 HydrophobicContact CD1-CE2 4.3Å
140K93.4Very high74.8Confident39 Ų3971.3 Ų71.317%0.1736%0.364CS..EExtended strand (participates in β ladder)trans-136.4145.1178.5-169.4169.8179.7173.80109.5E41 L42 Y43 V44 Y117 A142E41-K140 WeakPolarHBondContact OE2-CD 3.28Å; E41-K140 IonicContact OE2-NZ 4Å; L42-K140 PolarHBondContact O-N 2.82Å; Y43-K140 WeakPolarHBondContact CA-O 3.46Å; Y43-K140 HydrophobicContact CD1-CB 4.27Å; Y43-K140 HydrophobicContact CE1-CB 4.25Å; Y43-K140 HydrophobicContact CE1-CD 4.05Å; Y43-K140 HydrophobicContact CE1-CG 4.32Å; V44-K140 PolarHBondContact N-O 3.48Å; Y117-K140 WeakPolarHBondContact O-CE 3.43Å; K140-A142 PolarHBondContact O-N 3.16Å
141L92.4Very high72.6Confident2 Ų275.6 Ų75.61%0.0139%0.387CS..EExtended strand (participates in β ladder)trans-69.3127.3178.7-162.965.6000109.4V44 E46 V103 R105 D116 Y117 K143V44-L141 WeakPolarHBondContact O-CA 3.48Å; E46-L141 HydrophobicContact CB-CD1 4.12Å; V103-L141 HydrophobicContact CG1-CD1 3.83Å; R105-L141 HydrophobicContact CG-CD2 3.74Å; D116-L141 PolarHBondContact O-N 3.41Å; Y117-L141 HydrophobicContact CD1-CB 3.81Å; Y117-L141 HydrophobicContact CD1-CD2 3.7Å; Y117-L141 HydrophobicContact CD1-CG 3.77Å; Y117-L141 HydrophobicContact CD2-CD2 4.5Å; Y117-L141 HydrophobicContact CE1-CB 4.21Å; Y117-L141 HydrophobicContact CE1-CD2 3.36Å; Y117-L141 HydrophobicContact CE1-CG 3.61Å; Y117-L141 HydrophobicContact CE2-CD2 4.26Å; Y117-L141 HydrophobicContact CG-CB 4.46Å; Y117-L141 HydrophobicContact CG-CD2 4.25Å; L141-K143 PolarHBondContact O-N 2.95Å
142A89Confident70.3Confident19 Ų1973.5 Ų73.516%0.15739%0.385CS..PPolyproline II helixtrans-64.5130.7176.800000109.6V44 N45 Y117 K140V44-A142 PolarHBondContact O-N 3.22Å; N45-A142 WeakPolarHBondContact OD1-CB 3.34Å; Y117-A142 VanDerWaalsContact CE1-O 3.27Å; Y117-A142 WeakPolarHBondContact CE1-O 3.29Å; K140-A142 PolarHBondContact O-N 3.16Å
143K84.1Confident68Low99 Ų9973.2 Ų73.243%0.4339%0.39SS..PPolyproline II helixtrans-77.6129.5170.2-70.3-179.6-179.4177.30107.9Y117 N118 L141 S145 V146Y117-K143 HydrophobicContact CD1-CG 3.82Å; Y117-K143 HydrophobicContact CG-CG 4.12Å; N118-K143 PolarHBondContact OD1-NZ 3.07Å; L141-K143 PolarHBondContact O-N 2.95Å; K143-S145 PolarHBondContact O-N 3.15Å; K143-V146 PolarHBondContact O-N 2.97Å
144N67.9Low66Low127 Ų12773.3 Ų73.368%0.67939%0.392SS*.THydrogen-bonded Turntrans-57-1.2176.9-71.1-9.6000114.5
145S52.7Low63.7Low101 Ų10174 Ų7471%0.70640%0.4SS*.THydrogen-bonded Turntrans-99.36.9-176.671.60000115.4K143K143-S145 PolarHBondContact O-N 3.15Å
146V44.6Very low61.4Low80 Ų8080 Ų8049%0.48543%0.433SS..  trans-105.485.7-177-176.30000111K143 D148K143-V146 PolarHBondContact O-N 2.97Å; V146-D148 HydrophobicContact CG1-CB 3.43Å; V146-D148 VanDerWaalsContact CG1-CB 3.43Å; V146-D148 VanDerWaalsContact CG1-OD2 3.31Å; V146-D148 WeakPolarHBondContact CG1-OD2 3.48Å; V146-D148 PolarHBondContact O-N 3.22Å
147N33.6Very low59.2Low168 Ų16879.5 Ų79.590%0.89844%0.435SS*.  trans-7151158-99.2-12.2000110.3
148D40.3Very low56.8Low112 Ų11280.8 Ų80.860%0.59944%0.442SS*.  trans-103.5111.2176.7-69.1-26000110.8V146 N150V146-D148 HydrophobicContact CG1-CB 3.43Å; V146-D148 VanDerWaalsContact CG1-CB 3.43Å; V146-D148 VanDerWaalsContact CG1-OD2 3.31Å; V146-D148 WeakPolarHBondContact CG1-OD2 3.48Å; V146-D148 PolarHBondContact O-N 3.22Å; D148-N150 PolarHBondContact O-N 3.37Å
149K42Very low54Low198 Ų19886.8 Ų86.886%0.86147%0.472SS*.THydrogen-bonded Turntrans-57.922.7172.7-71172.8170.7174.40114.8
150N42.3Very low51Low135 Ų13594.5 Ų94.572%0.72251%0.505SS*.THydrogen-bonded Turntrans-115.1-6-176.7-72.8-5.9000114.5D148D148-N150 PolarHBondContact O-N 3.37Å
151N41.2Very low48.2Very low90 Ų9098.1 Ų98.148%0.48153%0.533SS..THydrogen-bonded Turntrans-92.36178.1-78.6-4000114.8L153N151-L153 VanDerWaalsContact C-N 3.27Å; N151-L153 PolarHBondContact O-N 3.38Å
152S36.7Very low45.3Very low79 Ų79104.1 Ų104.155%0.55256%0.563SS**Hα-helixtrans-73.4-17.117667.60000113.5V154S152-V154 PolarHBondContact O-N 3.35Å
153L37.9Very low42.5Very low140 Ų140107.4 Ų107.473%0.73359%0.585SS**Hα-helixtrans-77.5-18.5-176.7-112.5149.1000114.2N151N151-L153 VanDerWaalsContact C-N 3.27Å; N151-L153 PolarHBondContact O-N 3.38Å
154V43.7Very low39.9Very low55 Ų55112.7 Ų112.733%0.33361%0.608SS.*Hα-helixtrans-103.2-21.4-179.7-174.20000112.3L42 S152 D156 V157L42-V154 HydrophobicContact CD2-CG1 3.67Å; S152-V154 PolarHBondContact O-N 3.35Å; V154-D156 VanDerWaalsContact C-N 3.28Å; V154-D156 PolarHBondContact O-N 3.46Å; V154-V157 PolarHBondContact O-N 3.2Å
155S39.3Very low38Very low54 Ų54110.6 Ų110.638%0.37860%0.604SS.*Hα-helixtrans-68.1-28.8172.8-69.30000112.4V157 M159S155-V157 VanDerWaalsContact C-N 3.34Å; S155-M159 PolarHBondContact O-N 2.96Å
156D38.6Very low36.9Very low127 Ų127114.8 Ų114.868%0.67961%0.612SS**Hα-helixtrans-73.6-24.9177.6-72.1-13.6000112.6V154V154-D156 VanDerWaalsContact C-N 3.28Å; V154-D156 PolarHBondContact O-N 3.46Å
157V44.8Very low36Very low41 Ų41118.8 Ų118.825%0.24863%0.63CS.*Hα-helixtrans-78.5-24.5179.7-177.40000112.1V154 S155V154-V157 PolarHBondContact O-N 3.2Å; S155-V157 VanDerWaalsContact C-N 3.34Å
158L42Very low35.9Very low28 Ų28119.5 Ų119.515%0.14763%0.625CS.*Hα-helixtrans-97-8.1179.2-67.7171.5000113.7H24 I25 I34 F160H24-L158 HydrophobicContact CB-CD1 4.44Å; I25-L158 WeakPolarHBondContact O-CD2 3.41Å; I34-L158 HydrophobicContact CD1-CD2 4.31Å; L158-F160 PolarHBondContact O-N 2.86Å
159M33.3Very low35.4Very low127 Ų127120.2 Ų120.263%0.62663%0.629SS**  trans-93.978176.4-89.6-81.5167.800111S155S155-M159 PolarHBondContact O-N 2.96Å
160F31.2Very low34.9Very low164 Ų164118.4 Ų118.472%0.71962%0.624SS**  trans-93.1117157.9-81.5-81.1000109.2L158 I162L158-F160 PolarHBondContact O-N 2.86Å; F160-I162 PolarHBondContact O-N 2.98Å; F160-I162 VanDerWaalsContact O-N 3.1Å
161P34Very low34.2Very low115 Ų115119.5 Ų119.575%0.74763%0.629SS**  trans-66.5113.517226.3-30.3000108.4S163P161-S163 PolarHBondContact O-N 3.37Å
162I32Very low33.7Very low127 Ų127124.6 Ų124.665%0.65165%0.647SS**  trans-68.887.8170.2-60.3172.6000107.4I25 F160I25-I162 HydrophobicContact CD1-CD1 4.08Å; F160-I162 PolarHBondContact O-N 2.98Å; F160-I162 VanDerWaalsContact O-N 3.1Å
163S30.2Very low33.2Very low88 Ų88126.3 Ų126.362%0.61566%0.66SS**  trans-75.1118.4159.255.50000108.3P161 S165P161-S163 PolarHBondContact O-N 3.37Å; S163-S165 PolarHBondContact O-N 3.07Å
164K29.1Very low32.9Very low210 Ų210125.5 Ų125.591%0.91366%0.66SS**SBendtrans-60.782.5165.7-86.2177.1171.5172.60110.5
165S27.6Very low32.1Very low83 Ų83128.2 Ų128.258%0.5868%0.682SS**  trans178.9107.615849.80000104.3S163S163-S165 PolarHBondContact O-N 3.07Å
166Q30.6Very low31.7Very low189 Ų189133.3 Ų133.388%0.88370%0.703SS**  -165.1101.487.4-83.2170.610.100107.7
167L25.5Very low31.2Very low165 Ų165134.1 Ų134.186%0.86471%0.707SS**  trans-95.882.5161.8-164149.4000105
168F31.6Very low30.3Very low183 Ų183138.7 Ų138.780%0.80373%0.729SS**  trans-156.1102.6167.5-96.5-74.9000109.3
169D28.7Very low29.7Very low126 Ų126148.3 Ų148.367%0.67476%0.764SS**  55.7135.5122.4-86.1-24.1000122.4
170Q33.4Very low29.4Very low161 Ų161148.9 Ų148.975%0.75277%0.774SS**  trans89.2102.1143.7-68.4165.529.600119
171N27Very low29.3Very low157 Ų157147.7 Ų147.784%0.8478%0.775SS**  3597.8119.5-69-13.9000116.7
172K29.9Very low29Very low197 Ų197150.8 Ų150.886%0.85778%0.78SS**  trans-158.4114.2136-117.9167.2-176.8175.50112.2V174K172-V174 PolarHBondContact O-N 3.13Å
173S26.6Very low28.7Very low116 Ų116154.6 Ų154.681%0.81179%0.787SS**  trans-47.1123.7158.548.80000111.7
174V31.4Very low28.5Very low123 Ų123159.6 Ų159.675%0.74580%0.801SS**  trans-132.4110156179.90000108.2K172 I176K172-V174 PolarHBondContact O-N 3.13Å; V174-I176 HydrophobicContact CG1-CG1 4.46Å
175S26.6Very low28.5Very low112 Ų112153.9 Ų153.978%0.78379%0.787SS**  trans-60.9126.9166.551.10000111.3
176I32.3Very low28.4Very low161 Ų161159.5 Ų159.583%0.82680%0.801SS**  trans-132.7102.9155-59-179.3000107.7V174V174-I176 HydrophobicContact CG1-CG1 4.46Å
177L26.4Very low28.5Very low144 Ų144156.9 Ų156.975%0.75480%0.798SS**  trans-80.4153.4168.6-170.179.8000108.7
178N27.2Very low28.6Very low136 Ų136158.1 Ų158.173%0.72780%0.797SS**  trans93.397.8164.9-58.4-29000117.9
179R29.7Very low28.2Very low231 Ų231156.4 Ų156.487%0.87280%0.795SS**  -166.1103.2112-112.1174.7179.5168.40.2111.5
180T25.9Very low27.9Very low138 Ų138156.1 Ų156.185%0.84780%0.797SS**  trans-79.6116.1155.927.30000109
181L29.6Very low27.6Very low140 Ų140155.1 Ų155.173%0.73380%0.797SS**  trans-142.792.7159-88.4161.8000103.9
182Q27Very low27.5Very low180 Ų180155.5 Ų155.584%0.84179%0.793SS**  45.97981.3-151.9176.57.600112.1
183Y26.1Very low27.5Very low207 Ų207153 Ų15381%0.81280%0.795SS**  trans-13690.8155.2-148.4-99000109.2
184Q25.7Very low27.6Very low192 Ų192152.3 Ų152.390%0.89779%0.79SS**  trans-81.5122.3155.8-81.7-167.9-17.100107.2
185S30.9Very low27.4Very low90 Ų90152.1 Ų152.163%0.62979%0.789SS**  trans-129.6106.9152.762.20000109.1
186K25.3Very low27.4Very low202 Ų202152.6 Ų152.688%0.87879%0.787SS**  trans-87.9116.7164.8-113.9177.7175.5175.60106.2
187T32.1Very low27.1Very low133 Ų133154.3 Ų154.382%0.81679%0.785SS**  trans-168.2101.3151.126.60000107.5
188K26.6Very low27.2Very low191 Ų191156 Ų15683%0.8379%0.786SS**  65.7104.590.3-118.5-170.1178-178.60113.9
189L22.9Very low27.4Very low148 Ų148156 Ų15678%0.77579%0.786SS**  76.2137.1126.2-135.990.3000120
190V24.3Very low27.6Very low119 Ų119153.3 Ų153.372%0.72178%0.783SS**  trans81.2128.2156.5-156.90000113
191L26.6Very low27.9Very low140 Ų140151.6 Ų151.673%0.73377%0.773SS**  cis-159.415928.6-165.454.3000109.7
192E24.8Very low27.9Very low166 Ų166154.5 Ų154.578%0.77678%0.78SS**  trans-34.1134.8167.7-57.3167.7136.500116.2
193T29.6Very low28.3Very low144 Ų144152.4 Ų152.488%0.88377%0.772SS**  trans-134.7115133.741.80000109.5
194S29.5Very low28.6Very low102 Ų102149.2 Ų149.271%0.71378%0.775SS**  trans-3913617348.30000115.8T196S194-T196 PolarHBondContact O-N 2.81Å
195V27Very low29.2Very low118 Ų118148.5 Ų148.572%0.71577%0.769SS**  trans-25.9125.1148-174.80000112.9Y197V195-Y197 HydrophobicContact CG1-CD2 3.62Å; V195-Y197 HydrophobicContact CG1-CE2 4.08Å
196T26.4Very low29.7Very low123 Ų123153.9 Ų153.976%0.75578%0.784SS**  trans-13898.4147.9-25.50000108.1S194 K198S194-T196 PolarHBondContact O-N 2.81Å; T196-K198 VanDerWaalsContact C-N 3.32Å; T196-K198 PolarHBondContact O-N 3.25Å
197Y25.8Very low30.6Very low197 Ų197152.3 Ų152.377%0.77378%0.78SS**  trans-61.398160.9-86.5-97.5000107.3V195 N199V195-Y197 HydrophobicContact CG1-CD2 3.62Å; V195-Y197 HydrophobicContact CG1-CE2 4.08Å; Y197-N199 PolarHBondContact O-N 3.46Å
198K29.2Very low31.3Very low178 Ų178152.2 Ų152.277%0.77478%0.779SS**  trans-84.8100.8162.6-113.6178.8178.8174.90107T196 H200T196-K198 VanDerWaalsContact C-N 3.32Å; T196-K198 PolarHBondContact O-N 3.25Å; K198-H200 PolarHBondContact O-N 3.43Å
199N31.2Very low32.6Very low136 Ų136148.6 Ų148.673%0.72777%0.768SS**  trans-46.2111.9154.4-78.9-23.6000107.4Y197 T201Y197-N199 PolarHBondContact O-N 3.46Å; N199-T201 PolarHBondContact O-N 2.78Å
200H32.6Very low34.4Very low176 Ų176145.7 Ų145.782%0.81575%0.753SS**  trans-70.480.2165.9-85-65.5000107.7K198 F202K198-H200 PolarHBondContact O-N 3.43Å; H200-F202 PolarHBondContact O-N 3.27Å
201T32Very low36.5Very low102 Ų102149.4 Ų149.463%0.62675%0.754SS**  trans-67.2115.5155.239.10000106.2N199 I203N199-T201 PolarHBondContact O-N 2.78Å; T201-I203 PolarHBondContact O-N 2.94Å
202F31.1Very low38.5Very low201 Ų201148.7 Ų148.788%0.88275%0.747SS**  trans-60.587166.3-86.9-98.8000107.6H200 T204H200-F202 PolarHBondContact O-N 3.27Å; F202-T204 PolarHBondContact O-N 3.46Å; F202-T204 VanDerWaalsContact O-N 3.16Å
203I34.5Very low40.4Very low135 Ų135143.6 Ų143.669%0.69272%0.724SS**  trans-74.2101.9163.8-62.5176.5000104.8T201 K205T201-I203 PolarHBondContact O-N 2.94Å; I203-K205 PolarHBondContact O-N 3.38Å
204T33.6Very low42.3Very low141 Ų141141.9 Ų141.987%0.86570%0.702SS**  trans-49.985.7160.4200000109F202F202-T204 PolarHBondContact O-N 3.46Å; F202-T204 VanDerWaalsContact O-N 3.16Å
205K37.8Very low44.4Very low177 Ų177140.6 Ų140.677%0.7768%0.683SS**  trans-74.8129.3152.9-87.2-175171.7-176.80106.2I203 Q207I203-K205 PolarHBondContact O-N 3.38Å; K205-Q207 PolarHBondContact O-N 2.95Å
206E41.4Very low46.6Very low202 Ų202140.3 Ų140.394%0.94467%0.672SS**  trans-43.391.9165.9-82.9168.5131.700109.6
207Q44.7Very low49.1Very low169 Ų169138.8 Ų138.879%0.7966%0.659SS**  trans-98.3111.8173.3-146.7167.8-0.700103.1K205 I209K205-Q207 PolarHBondContact O-N 2.95Å; Q207-I209 PolarHBondContact O-N 3.12Å
208T45.3Very low51.6Low131 Ų131132.7 Ų132.780%0.80464%0.64SS**  trans-39.6113.1166.146.60000107.5D210T208-D210 PolarHBondContact O-N 3.14Å
209I53.4Low53.9Low116 Ų116127.7 Ų127.760%0.59562%0.621SS**  trans-56.7105.1-176.1-65.1168.6000106.6Q207 W211 Y214Q207-I209 PolarHBondContact O-N 3.12Å; I209-W211 PolarHBondContact O-N 3.29Å; I209-W211 VanDerWaalsContact O-N 3.07Å; I209-Y214 HydrophobicContact CG2-CD2 4.37Å; I209-Y214 HydrophobicContact CG2-CE2 3.89Å
210D62.4Low56.5Low87 Ų87125 Ų12547%0.46561%0.61SS.*  trans-76.899.7179.5-157.8-11.6000106.8T208 E212 E213T208-D210 PolarHBondContact O-N 3.14Å; D210-E212 PolarHBondContact O-N 3.41Å; D210-E213 PolarHBondContact O-N 3.05Å; D210-E213 VanDerWaalsContact O-N 3.15Å
211W66.9Low58.8Low196 Ų196119.4 Ų119.474%0.74260%0.595SS**G310 helixtrans-59.5-11.7-177.9-74.195.6000112.6I209 E213 Y214I209-W211 PolarHBondContact O-N 3.29Å; I209-W211 VanDerWaalsContact O-N 3.07Å; W211-E213 VanDerWaalsContact C-N 3.26Å; W211-E213 PolarHBondContact O-N 3.01Å; W211-Y214 PolarHBondContact O-N 3.5Å
212E69.1Low61.4Low126 Ų126116.3 Ų116.359%0.58957%0.574SS**G310 helixtrans-58-35172.5-68-160.1160.900113D210 Y214 K215D210-E212 PolarHBondContact O-N 3.41Å; E212-Y214 VanDerWaalsContact C-N 3.27Å; E212-Y214 PolarHBondContact O-N 3.18Å; E212-K215 VanDerWaalsContact O-CB 3.31Å; E212-K215 WeakPolarHBondContact O-CB 3.22Å; E212-K215 PolarHBondContact O-N 3.49Å
213E65.3Low64Low59 Ų59113.2 Ų113.228%0.27656%0.56SS.*G310 helixtrans-67.9-28.5179.3-64.2-174.5-163.700112.7R105 D210 W211 F216R105-E213 VanDerWaalsContact CZ-CD 3.45Å; R105-E213 IonicContact CZ-OE1 3.38Å; R105-E213 IonicContact CZ-OE2 2.86Å; R105-E213 IonicContact NH1-OE1 3.36Å; R105-E213 PolarHBondContact NH1-OE1 3.38Å; R105-E213 IonicContact NH1-OE2 3.8Å; R105-E213 PolarHBondContact NH1-OE2 2.84Å; R105-E213 VanDerWaalsContact NH2-CD 3.31Å; R105-E213 IonicContact NH2-OE1 2.9Å; R105-E213 PolarHBondContact NH2-OE1 3.44Å; R105-E213 IonicContact NH2-OE2 3.85Å; R105-E213 PolarHBondContact NH2-OE2 2.89Å; D210-E213 PolarHBondContact O-N 3.05Å; D210-E213 VanDerWaalsContact O-N 3.15Å; W211-E213 VanDerWaalsContact C-N 3.26Å; W211-E213 PolarHBondContact O-N 3.01Å; E213-F216 WeakPolarHBondContact O-CD1 3.42Å; E213-F216 VanDerWaalsContact O-CE1 3.26Å; E213-F216 WeakPolarHBondContact O-CE1 3.25Å
214Y69.6Low66.5Low108 Ų108109.1 Ų109.142%0.42455%0.547SS..G310 helixtrans-94.96.4-176.1-60.6-78.3000113.2I209 W211 E212 F216 L217I209-Y214 HydrophobicContact CG2-CD2 4.37Å; I209-Y214 HydrophobicContact CG2-CE2 3.89Å; W211-Y214 PolarHBondContact O-N 3.5Å; E212-Y214 VanDerWaalsContact C-N 3.27Å; E212-Y214 PolarHBondContact O-N 3.18Å; Y214-F216 PolarHBondContact O-N 3.39Å; Y214-F216 VanDerWaalsContact O-N 3.12Å; Y214-L217 HydrophobicContact CD1-CD1 3.95Å; Y214-L217 WeakPolarHBondContact O-CB 3.22Å; Y214-L217 PolarHBondContact O-N 3.09Å
215K73.7Confident69Low74 Ų74108.8 Ų108.832%0.32253%0.533SS..Hα-helixtrans-57.2-30.6-178.3-160.5-172.8-168.4-165.20112.7L16 E212 L217 L218L16-K215 HydrophobicContact CD2-CD 3.6Å; L16-K215 HydrophobicContact CD2-CG 3.92Å; L16-K215 HydrophobicContact CG-CD 4.23Å; E212-K215 VanDerWaalsContact O-CB 3.31Å; E212-K215 WeakPolarHBondContact O-CB 3.22Å; E212-K215 PolarHBondContact O-N 3.49Å; K215-L217 VanDerWaalsContact C-N 3.28Å; K215-L217 PolarHBondContact O-N 3.26Å; K215-L218 VanDerWaalsContact O-CB 3.25Å; K215-L218 WeakPolarHBondContact O-CB 3.29Å; K215-L218 PolarHBondContact O-N 3.04Å
216F73.5Confident71.4Confident112 Ų112105 Ų10549%0.49152%0.521SS..Hα-helixtrans-65.5-28.6176.573.9-89.3000113.2F106 E213 Y214 L218 P220F106-F216 HydrophobicContact CD2-CE1 4.27Å; F106-F216 HydrophobicContact CE2-CE1 4.28Å; E213-F216 WeakPolarHBondContact O-CD1 3.42Å; E213-F216 VanDerWaalsContact O-CE1 3.26Å; E213-F216 WeakPolarHBondContact O-CE1 3.25Å; Y214-F216 PolarHBondContact O-N 3.39Å; Y214-F216 VanDerWaalsContact O-N 3.12Å; F216-L218 VanDerWaalsContact C-N 3.32Å; F216-P220 WeakPolarHBondContact O-CD 3.13Å
217L77.5Confident73.6Confident92 Ų9299 Ų9948%0.48250%0.499SS..Hα-helixtrans-76.6-20.8175.9-64.3175000112.6Y214 K215 I219 P220 A221Y214-L217 HydrophobicContact CD1-CD1 3.95Å; Y214-L217 WeakPolarHBondContact O-CB 3.22Å; Y214-L217 PolarHBondContact O-N 3.09Å; K215-L217 VanDerWaalsContact C-N 3.28Å; K215-L217 PolarHBondContact O-N 3.26Å; L217-I219 VanDerWaalsContact C-N 3.33Å; L217-I219 PolarHBondContact O-N 3.3Å; L217-P220 WeakPolarHBondContact O-CD 3.22Å; L217-A221 VanDerWaalsContact O-CB 3.32Å; L217-A221 WeakPolarHBondContact O-CB 3.43Å; L217-A221 PolarHBondContact O-N 3.37Å
218L79.7Confident75.7Confident69 Ų6995.9 Ų95.936%0.36149%0.487SS..Hα-helixtrans-65-37.5-178.9-160.895.2000111.6I12 K215 F216 A221 I222I12-L218 HydrophobicContact CG2-CD2 3.83Å; K215-L218 VanDerWaalsContact O-CB 3.25Å; K215-L218 WeakPolarHBondContact O-CB 3.29Å; K215-L218 PolarHBondContact O-N 3.04Å; F216-L218 VanDerWaalsContact C-N 3.32Å; L218-A221 PolarHBondContact O-N 3.33Å; L218-I222 HydrophobicContact CD2-CD1 3.55Å; L218-I222 HydrophobicContact CG-CD1 3.71Å; L218-I222 HydrophobicContact CG-CG1 4.32Å; L218-I222 WeakPolarHBondContact O-CB 3.32Å; L218-I222 VanDerWaalsContact O-CG1 3.22Å; L218-I222 WeakPolarHBondContact O-CG1 3.46Å; L218-I222 PolarHBondContact O-N 3.42Å
219I77.8Confident77.6Confident73 Ų7392.5 Ų92.537%0.37446%0.463SS..Hα-helixtrans-65-56.4-177.4-64170.2000110.7L217 A221 I222 F223L217-I219 VanDerWaalsContact C-N 3.33Å; L217-I219 PolarHBondContact O-N 3.3Å; I219-A221 VanDerWaalsContact C-N 3.26Å; I219-A221 PolarHBondContact O-N 3.29Å; I219-I222 PolarHBondContact O-N 2.87Å; I219-F223 HydrophobicContact CG2-CD2 3.73Å; I219-F223 HydrophobicContact CG2-CE2 3.8Å; I219-F223 WeakPolarHBondContact O-CD2 3.34Å; I219-F223 PolarHBondContact O-N 3.26Å
220P84.7Confident79Confident79 Ų7988.2 Ų88.251%0.51345%0.448SS..Hα-helixtrans-57-38.6174.6-24.633.3000113.2F216 L217 F223 A224F216-P220 WeakPolarHBondContact O-CD 3.13Å; L217-P220 WeakPolarHBondContact O-CD 3.22Å; P220-F223 PolarHBondContact O-N 3.17Å; P220-A224 WeakPolarHBondContact O-CB 3.3Å; P220-A224 PolarHBondContact O-N 3.41Å
221A81.4Confident80.2Confident58 Ų5888.6 Ų88.648%0.47945%0.449SS..Hα-helixtrans-64.1-44.6178.700000112.3L217 L218 I219 A224 F225L217-A221 VanDerWaalsContact O-CB 3.32Å; L217-A221 WeakPolarHBondContact O-CB 3.43Å; L217-A221 PolarHBondContact O-N 3.37Å; L218-A221 PolarHBondContact O-N 3.33Å; I219-A221 VanDerWaalsContact C-N 3.26Å; I219-A221 PolarHBondContact O-N 3.29Å; A221-A224 PolarHBondContact O-N 3.27Å; A221-F225 WeakPolarHBondContact O-CB 3.33Å; A221-F225 PolarHBondContact O-N 3.39Å
222I85.8Confident81Confident38 Ų3884.6 Ų84.620%0.19544%0.438CS..Hα-helixtrans-63.9-43.5175.2-69.5164.8000110.3L9 L218 I219 A224 F225 L226L9-I222 HydrophobicContact CD1-CD1 3.96Å; L9-I222 HydrophobicContact CD1-CG1 4.34Å; L9-I222 HydrophobicContact CD1-CG2 4.37Å; L218-I222 HydrophobicContact CD2-CD1 3.55Å; L218-I222 HydrophobicContact CG-CD1 3.71Å; L218-I222 HydrophobicContact CG-CG1 4.32Å; L218-I222 WeakPolarHBondContact O-CB 3.32Å; L218-I222 VanDerWaalsContact O-CG1 3.22Å; L218-I222 WeakPolarHBondContact O-CG1 3.46Å; L218-I222 PolarHBondContact O-N 3.42Å; I219-I222 PolarHBondContact O-N 2.87Å; I222-A224 PolarHBondContact O-N 3.19Å; I222-F225 PolarHBondContact O-N 3.3Å; I222-L226 HydrophobicContact CG2-CD1 3.91Å; I222-L226 HydrophobicContact CG2-CG 4.28Å; I222-L226 WeakPolarHBondContact O-CB 3.47Å; I222-L226 WeakPolarHBondContact O-CG 3.43Å; I222-L226 PolarHBondContact O-N 2.92Å
223F85.2Confident81.6Confident135 Ų13583.9 Ų83.959%0.59244%0.437SS*.Hα-helixtrans-60.7-45.4176.2-91.2-76.4000111.7I219 P220 F225 L226 T227I219-F223 HydrophobicContact CG2-CD2 3.73Å; I219-F223 HydrophobicContact CG2-CE2 3.8Å; I219-F223 WeakPolarHBondContact O-CD2 3.34Å; I219-F223 PolarHBondContact O-N 3.26Å; P220-F223 PolarHBondContact O-N 3.17Å; F223-F225 VanDerWaalsContact C-N 3.31Å; F223-F225 PolarHBondContact O-N 3.27Å; F223-L226 PolarHBondContact O-N 3.42Å; F223-T227 WeakPolarHBondContact O-CG2 3.49Å; F223-T227 PolarHBondContact O-N 2.85Å; F223-T227 PolarHBondContact O-OG1 3.41Å
224A88.5Confident82.3Confident49 Ų4985.7 Ų85.741%0.40545%0.448SS..Hα-helixtrans-61.7-38.4175.800000112.3P220 A221 I222 T227 L228P220-A224 WeakPolarHBondContact O-CB 3.3Å; P220-A224 PolarHBondContact O-N 3.41Å; A221-A224 PolarHBondContact O-N 3.27Å; I222-A224 PolarHBondContact O-N 3.19Å; A224-T227 WeakPolarHBondContact CA-OG1 3.41Å; A224-T227 PolarHBondContact O-OG1 3.3Å; A224-L228 VanDerWaalsContact O-CG 3.3Å; A224-L228 WeakPolarHBondContact O-CG 3.37Å; A224-L228 PolarHBondContact O-N 2.95Å
225F86.6Confident82.8Confident134 Ų13485.7 Ų85.759%0.58846%0.455SS*.Hα-helixtrans-68.4-41.8176.5-170.9-104.9000112.2A221 I222 F223 L228 I229A221-F225 WeakPolarHBondContact O-CB 3.33Å; A221-F225 PolarHBondContact O-N 3.39Å; I222-F225 PolarHBondContact O-N 3.3Å; F223-F225 VanDerWaalsContact C-N 3.31Å; F223-F225 PolarHBondContact O-N 3.27Å; F225-L228 PolarHBondContact O-N 3.16Å; F225-I229 HydrophobicContact CD1-CD1 3.65Å; F225-I229 HydrophobicContact CE1-CD1 3.28Å; F225-I229 HydrophobicContact CE1-CG1 4.31Å; F225-I229 HydrophobicContact CG-CD1 4.5Å; F225-I229 HydrophobicContact CZ-CD1 3.85Å; F225-I229 WeakPolarHBondContact O-CG1 3.33Å; F225-I229 PolarHBondContact O-N 3.26Å
226L87.3Confident83Confident97 Ų9786 Ų8651%0.50847%0.466SS..Hα-helixtrans-66.8-36.2176.1-71.3174.6000112.3I222 F223 I229 G230I222-L226 HydrophobicContact CG2-CD1 3.91Å; I222-L226 HydrophobicContact CG2-CG 4.28Å; I222-L226 WeakPolarHBondContact O-CB 3.47Å; I222-L226 WeakPolarHBondContact O-CG 3.43Å; I222-L226 PolarHBondContact O-N 2.92Å; F223-L226 PolarHBondContact O-N 3.42Å; L226-I229 PolarHBondContact O-N 3.25Å; L226-G230 PolarHBondContact O-N 3.03Å
227T87.7Confident82.9Confident78 Ų7883.1 Ų83.148%0.47946%0.459SS..Hα-helixtrans-68.1-40.3174.555.40000111.3F223 A224 I229 G230 I231F223-T227 WeakPolarHBondContact O-CG2 3.49Å; F223-T227 PolarHBondContact O-N 2.85Å; F223-T227 PolarHBondContact O-OG1 3.41Å; A224-T227 WeakPolarHBondContact CA-OG1 3.41Å; A224-T227 PolarHBondContact O-OG1 3.3Å; T227-I229 PolarHBondContact O-N 2.83Å; T227-G230 PolarHBondContact O-N 2.84Å; T227-I231 WeakPolarHBondContact O-CB 3.33Å; T227-I231 WeakPolarHBondContact O-CD1 3.31Å; T227-I231 WeakPolarHBondContact O-CG1 3.31Å; T227-I231 PolarHBondContact O-N 3.36Å
228L87.9Confident82.5Confident102 Ų10286.6 Ų86.653%0.53447%0.471SS..Hα-helixtrans-59.2-45.8173.5-76.1169.7000112A224 F225 I231 Q232A224-L228 VanDerWaalsContact O-CG 3.3Å; A224-L228 WeakPolarHBondContact O-CG 3.37Å; A224-L228 PolarHBondContact O-N 2.95Å; F225-L228 PolarHBondContact O-N 3.16Å; L228-I231 PolarHBondContact O-N 2.9Å; L228-Q232 VanDerWaalsContact O-CG 3.31Å; L228-Q232 WeakPolarHBondContact O-CG 3.22Å; L228-Q232 PolarHBondContact O-N 3.38Å
229I86.7Confident82.1Confident60 Ų6094.4 Ų94.431%0.30850%0.495SS..Hα-helixtrans-63.6-44.2175-68.5168.8000110.9F225 L226 T227 I231 Q232 I233F225-I229 HydrophobicContact CD1-CD1 3.65Å; F225-I229 HydrophobicContact CE1-CD1 3.28Å; F225-I229 HydrophobicContact CE1-CG1 4.31Å; F225-I229 HydrophobicContact CG-CD1 4.5Å; F225-I229 HydrophobicContact CZ-CD1 3.85Å; F225-I229 WeakPolarHBondContact O-CG1 3.33Å; F225-I229 PolarHBondContact O-N 3.26Å; L226-I229 PolarHBondContact O-N 3.25Å; T227-I229 PolarHBondContact O-N 2.83Å; I229-I231 PolarHBondContact O-N 3.3Å; I229-Q232 PolarHBondContact O-N 3.35Å; I229-I233 HydrophobicContact CG2-CD1 3.74Å; I229-I233 HydrophobicContact CG2-CG1 4.33Å; I229-I233 VanDerWaalsContact O-CG1 3.31Å; I229-I233 WeakPolarHBondContact O-CG1 3.45Å; I229-I233 PolarHBondContact O-N 3.47Å
230G82.9Confident81.3Confident27 Ų2794.1 Ų94.128%0.27849%0.494SS..Hα-helixtrans-59.9-44.617900000112.3L226 T227 I233 I234L226-G230 PolarHBondContact O-N 3.03Å; T227-G230 PolarHBondContact O-N 2.84Å; G230-I233 PolarHBondContact O-N 3.49Å; G230-I234 VanDerWaalsContact O-CG1 3.27Å; G230-I234 WeakPolarHBondContact O-CG1 3.27Å; G230-I234 PolarHBondContact O-N 3.03Å
231I86.3Confident80.6Confident94 Ų9494.2 Ų94.248%0.48250%0.495SS..Hα-helixtrans-62.3-44.5175.9-68.8164.1000110.4T227 L228 I229 I233 I234 L235T227-I231 WeakPolarHBondContact O-CB 3.33Å; T227-I231 WeakPolarHBondContact O-CD1 3.31Å; T227-I231 WeakPolarHBondContact O-CG1 3.31Å; T227-I231 PolarHBondContact O-N 3.36Å; L228-I231 PolarHBondContact O-N 2.9Å; I229-I231 PolarHBondContact O-N 3.3Å; I231-I233 PolarHBondContact O-N 3.2Å; I231-I234 PolarHBondContact O-N 3.11Å; I231-L235 HydrophobicContact CG2-CD1 3.85Å; I231-L235 HydrophobicContact CG2-CG 4.31Å; I231-L235 WeakPolarHBondContact O-CB 3.22Å; I231-L235 WeakPolarHBondContact O-CG 3.44Å; I231-L235 PolarHBondContact O-N 3.36Å
232Q83.7Confident79.9Confident113 Ų11397.8 Ų97.853%0.52851%0.506SS..Hα-helixtrans-60.9-42.9176.5-73.8163.6-10.600112.1L228 I229 I234 L235 C236L228-Q232 VanDerWaalsContact O-CG 3.31Å; L228-Q232 WeakPolarHBondContact O-CG 3.22Å; L228-Q232 PolarHBondContact O-N 3.38Å; I229-Q232 PolarHBondContact O-N 3.35Å; Q232-I234 PolarHBondContact O-N 2.87Å; Q232-L235 PolarHBondContact O-N 3.5Å; Q232-C236 WeakPolarHBondContact O-CB 3.25Å; Q232-C236 PolarHBondContact O-N 3.21Å; Q232-C236 PolarHBondContact O-SG 3.48Å
233I81.2Confident79Confident111 Ų111100 Ų10057%0.56953%0.525SS*.Hα-helixtrans-62.6-43.7176.5-67.7166.9000110.9I229 G230 I231 C236 S237I229-I233 HydrophobicContact CG2-CD1 3.74Å; I229-I233 HydrophobicContact CG2-CG1 4.33Å; I229-I233 VanDerWaalsContact O-CG1 3.31Å; I229-I233 WeakPolarHBondContact O-CG1 3.45Å; I229-I233 PolarHBondContact O-N 3.47Å; G230-I233 PolarHBondContact O-N 3.49Å; I231-I233 PolarHBondContact O-N 3.2Å; I233-C236 PolarHBondContact O-N 3.33Å; I233-S237 WeakPolarHBondContact O-CB 3.44Å; I233-S237 PolarHBondContact O-N 3.3Å
234I80.7Confident78Confident97 Ų9796.4 Ų96.450%0.49751%0.511SS..Hα-helixtrans-62.9-48.2177.9-67.5164.5000110G230 I231 Q232 C236 S237 F238G230-I234 VanDerWaalsContact O-CG1 3.27Å; G230-I234 WeakPolarHBondContact O-CG1 3.27Å; G230-I234 PolarHBondContact O-N 3.03Å; I231-I234 PolarHBondContact O-N 3.11Å; Q232-I234 PolarHBondContact O-N 2.87Å; I234-C236 PolarHBondContact O-N 3.46Å; I234-S237 WeakPolarHBondContact O-CB 3.35Å; I234-S237 PolarHBondContact O-N 2.85Å; I234-S237 VanDerWaalsContact O-N 3.09Å; I234-S237 PolarHBondContact O-OG 3.46Å; I234-F238 HydrophobicContact CG2-CD2 4.31Å; I234-F238 HydrophobicContact CG2-CE2 3.97Å; I234-F238 WeakPolarHBondContact O-CD2 3.37Å; I234-F238 PolarHBondContact O-N 3.24Å
235L79.8Confident76.8Confident107 Ų10796.7 Ų96.756%0.5651%0.508SS*.Hα-helixtrans-60.8-43.7177.8-71.3172.8000112.1I231 Q232 S237 F238I231-L235 HydrophobicContact CG2-CD1 3.85Å; I231-L235 HydrophobicContact CG2-CG 4.31Å; I231-L235 WeakPolarHBondContact O-CB 3.22Å; I231-L235 WeakPolarHBondContact O-CG 3.44Å; I231-L235 PolarHBondContact O-N 3.36Å; Q232-L235 PolarHBondContact O-N 3.5Å; L235-S237 VanDerWaalsContact C-N 3.28Å; L235-S237 PolarHBondContact O-N 3.24Å; L235-F238 PolarHBondContact O-N 2.92Å
236C78.9Confident75.9Confident82 Ų8295 Ų9555%0.55451%0.505SS*.Hα-helixtrans-65.9-30.2175.2-69.10000112.5Q232 I233 I234 F238 W239 L240Q232-C236 WeakPolarHBondContact O-CB 3.25Å; Q232-C236 PolarHBondContact O-N 3.21Å; Q232-C236 PolarHBondContact O-SG 3.48Å; I233-C236 PolarHBondContact O-N 3.33Å; I234-C236 PolarHBondContact O-N 3.46Å; C236-F238 VanDerWaalsContact C-N 3.31Å; C236-F238 PolarHBondContact O-N 3.48Å; C236-W239 PolarHBondContact O-N 3.04Å; C236-L240 WeakPolarHBondContact O-CG 3.37Å; C236-L240 PolarHBondContact O-N 3.32Å
237S69.8Low75Confident51 Ų5197.2 Ų97.236%0.35751%0.51SS..Hα-helixtrans-67-28.9176.676.80000113.7I233 I234 L235 W239 L240I233-S237 WeakPolarHBondContact O-CB 3.44Å; I233-S237 PolarHBondContact O-N 3.3Å; I234-S237 WeakPolarHBondContact O-CB 3.35Å; I234-S237 PolarHBondContact O-N 2.85Å; I234-S237 VanDerWaalsContact O-N 3.09Å; I234-S237 PolarHBondContact O-OG 3.46Å; L235-S237 VanDerWaalsContact C-N 3.28Å; L235-S237 PolarHBondContact O-N 3.24Å; S237-W239 VanDerWaalsContact C-N 3.29Å; S237-W239 PolarHBondContact O-N 2.98Å; S237-L240 PolarHBondContact O-N 2.91Å
238F70.6Confident74Confident164 Ų16499.1 Ų99.172%0.71951%0.512SS*.Hα-helixtrans-69.8-24.6173.5-83.6-78.6000113.4I234 L235 C236I234-F238 HydrophobicContact CG2-CD2 4.31Å; I234-F238 HydrophobicContact CG2-CE2 3.97Å; I234-F238 WeakPolarHBondContact O-CD2 3.37Å; I234-F238 PolarHBondContact O-N 3.24Å; L235-F238 PolarHBondContact O-N 2.92Å; C236-F238 VanDerWaalsContact C-N 3.31Å; C236-F238 PolarHBondContact O-N 3.48Å
239W70.2Confident73.1Confident233 Ų23398.1 Ų98.188%0.88351%0.507SS*.THydrogen-bonded Turntrans-93.8-3.5178.7-74.364.4000113.1C236 S237C236-W239 PolarHBondContact O-N 3.04Å; S237-W239 VanDerWaalsContact C-N 3.29Å; S237-W239 PolarHBondContact O-N 2.98Å
240L61.8Low72.3Confident67 Ų6799.6 Ų99.635%0.35152%0.518SS..SBendtrans-82.2124.6179-83.1157.8000109.9C236 S237 I244 V245C236-L240 WeakPolarHBondContact O-CG 3.37Å; C236-L240 PolarHBondContact O-N 3.32Å; S237-L240 PolarHBondContact O-N 2.91Å; L240-I244 HydrophobicContact CD2-CB 4.26Å; L240-I244 HydrophobicContact CD2-CD1 3.67Å; L240-I244 HydrophobicContact CD2-CG2 3.97Å; L240-V245 HydrophobicContact CB-CG2 4.46Å
241P70.6Confident71.4Confident81 Ų81106.5 Ų106.553%0.52654%0.537SS..  trans-58.7141.7178.820.3-30.7000111S243 I244P241-S243 PolarHBondContact O-N 3.44Å; P241-I244 HydrophobicContact CG-CD1 3.97Å; P241-I244 HydrophobicContact CG-CG1 4.38Å; P241-I244 PolarHBondContact O-N 3.35Å
242N65.1Low70.3Confident134 Ų134109.1 Ų109.172%0.71755%0.545SS*.Hα-helixtrans-46.6-28.4-175.8-77.1-14.7000114.7I244 V245 N246N242-I244 VanDerWaalsContact C-N 3.33Å; N242-I244 PolarHBondContact O-N 3.13Å; N242-V245 PolarHBondContact O-N 3.48Å; N242-N246 WeakPolarHBondContact O-CB 3.3Å; N242-N246 PolarHBondContact O-N 3.22Å
243S67.8Low69.2Low83 Ų83111.1 Ų111.158%0.5855%0.552SS**Hα-helixtrans-55.4-41.2173169.40000113.6P241 K247P241-S243 PolarHBondContact O-N 3.44Å; S243-K247 PolarHBondContact O-N 2.92Å
244I64.7Low68Low61 Ų61113.5 Ų113.531%0.31356%0.558SS.*Hα-helixtrans-79.2-41-177.5-62.4173.3000110.5L240 P241 N242 N246 K247 F248L240-I244 HydrophobicContact CD2-CB 4.26Å; L240-I244 HydrophobicContact CD2-CD1 3.67Å; L240-I244 HydrophobicContact CD2-CG2 3.97Å; P241-I244 HydrophobicContact CG-CD1 3.97Å; P241-I244 HydrophobicContact CG-CG1 4.38Å; P241-I244 PolarHBondContact O-N 3.35Å; N242-I244 VanDerWaalsContact C-N 3.33Å; N242-I244 PolarHBondContact O-N 3.13Å; I244-N246 VanDerWaalsContact C-N 3.3Å; I244-N246 PolarHBondContact O-N 3.03Å; I244-K247 WeakPolarHBondContact O-CB 3.47Å; I244-K247 PolarHBondContact O-N 3.25Å; I244-K247 VanDerWaalsContact O-N 3.11Å; I244-F248 HydrophobicContact CG2-CD2 3.69Å; I244-F248 HydrophobicContact CG2-CE2 3.4Å; I244-F248 VanDerWaalsContact CG2-CE2 3.4Å; I244-F248 VanDerWaalsContact O-CD2 3.22Å; I244-F248 WeakPolarHBondContact O-CD2 3.49Å; I244-F248 PolarHBondContact O-N 2.89Å
245V63.5Low66.7Low55 Ų55113.1 Ų113.133%0.33356%0.563SS.*Hα-helixtrans-58.8-43.4175.4-178.50000110.6L240 N242 K247 F248 I249L240-V245 HydrophobicContact CB-CG2 4.46Å; N242-V245 PolarHBondContact O-N 3.48Å; V245-K247 PolarHBondContact O-N 2.87Å; V245-F248 PolarHBondContact O-N 3.44Å; V245-I249 HydrophobicContact CG1-CD1 4.02Å; V245-I249 WeakPolarHBondContact O-CG1 3.32Å; V245-I249 PolarHBondContact O-N 3.46Å
246N65.6Low65.4Low98 Ų98116.5 Ų116.552%0.52457%0.573SS.*Hα-helixtrans-63.9-37.3175.5-80.5-18.1000112.8N242 I244 I249 V250N242-N246 WeakPolarHBondContact O-CB 3.3Å; N242-N246 PolarHBondContact O-N 3.22Å; I244-N246 VanDerWaalsContact C-N 3.3Å; I244-N246 PolarHBondContact O-N 3.03Å; N246-I249 PolarHBondContact O-N 3.1Å; N246-V250 VanDerWaalsContact O-CG2 3.3Å; N246-V250 WeakPolarHBondContact O-CG2 3.32Å; N246-V250 PolarHBondContact O-N 3.46Å
247K69.5Low63.8Low144 Ų144122.4 Ų122.463%0.62659%0.586SS**Hα-helixtrans-62.4-41172.7-89.3-177.9176.6176.30112.2S243 I244 V245 V250 Y251S243-K247 PolarHBondContact O-N 2.92Å; I244-K247 WeakPolarHBondContact O-CB 3.47Å; I244-K247 PolarHBondContact O-N 3.25Å; I244-K247 VanDerWaalsContact O-N 3.11Å; V245-K247 PolarHBondContact O-N 2.87Å; K247-V250 PolarHBondContact O-N 3.39Å; K247-Y251 PolarHBondContact O-N 3.49Å; K247-Y251 VanDerWaalsContact O-N 3.1Å
248F66.5Low62.5Low117 Ų117128.9 Ų128.951%0.51361%0.607SS.*Hα-helixtrans-66-43.8176.1-78.8-69.2000112I244 V245 V250 Y251 F252I244-F248 HydrophobicContact CG2-CD2 3.69Å; I244-F248 HydrophobicContact CG2-CE2 3.4Å; I244-F248 VanDerWaalsContact CG2-CE2 3.4Å; I244-F248 VanDerWaalsContact O-CD2 3.22Å; I244-F248 WeakPolarHBondContact O-CD2 3.49Å; I244-F248 PolarHBondContact O-N 2.89Å; V245-F248 PolarHBondContact O-N 3.44Å; F248-V250 VanDerWaalsContact C-N 3.3Å; F248-V250 PolarHBondContact O-N 2.88Å; F248-Y251 PolarHBondContact O-N 3.27Å; F248-Y251 VanDerWaalsContact O-N 3.13Å; F248-F252 VanDerWaalsContact O-CD2 3.25Å; F248-F252 WeakPolarHBondContact O-CD2 3.46Å; F248-F252 PolarHBondContact O-N 3.11Å
249I68.5Low61.2Low82 Ų82132.4 Ų132.442%0.42162%0.616SS.*Hα-helixtrans-59.2-41.3177-68.3168.4000111.3V245 N246 F252 K253V245-I249 HydrophobicContact CG1-CD1 4.02Å; V245-I249 WeakPolarHBondContact O-CG1 3.32Å; V245-I249 PolarHBondContact O-N 3.46Å; N246-I249 PolarHBondContact O-N 3.1Å; I249-F252 PolarHBondContact O-N 2.96Å; I249-K253 WeakPolarHBondContact O-CB 3.45Å; I249-K253 PolarHBondContact O-N 3.41Å
250V71.3Confident59.7Low91 Ų91127.3 Ų127.355%0.55261%0.61SS**Hα-helixtrans-64.7-41.1176.41720000111.4N246 K247 F248 K253 K254N246-V250 VanDerWaalsContact O-CG2 3.3Å; N246-V250 WeakPolarHBondContact O-CG2 3.32Å; N246-V250 PolarHBondContact O-N 3.46Å; K247-V250 PolarHBondContact O-N 3.39Å; F248-V250 VanDerWaalsContact C-N 3.3Å; F248-V250 PolarHBondContact O-N 2.88Å; V250-K253 PolarHBondContact O-N 3.25Å; V250-K254 PolarHBondContact O-N 3.44Å
251Y63.6Low58.6Low172 Ų172129.3 Ų129.368%0.67563%0.63SS**Hα-helixtrans-63.5-45.4175.4-104.7-82.5000112.4K247 F248 K254 C255K247-Y251 PolarHBondContact O-N 3.49Å; K247-Y251 VanDerWaalsContact O-N 3.1Å; F248-Y251 PolarHBondContact O-N 3.27Å; F248-Y251 VanDerWaalsContact O-N 3.13Å; Y251-K254 PolarHBondContact O-N 3.19Å; Y251-C255 PolarHBondContact O-N 3.01Å; Y251-C255 VanDerWaalsContact O-N 3.11Å
252F62Low56.9Low149 Ų149137.5 Ų137.565%0.65465%0.65SS**Hα-helixtrans-67.2-36.6177.9-81.2-71.2000112.8F248 I249 K254 C255 K256F248-F252 VanDerWaalsContact O-CD2 3.25Å; F248-F252 WeakPolarHBondContact O-CD2 3.46Å; F248-F252 PolarHBondContact O-N 3.11Å; I249-F252 PolarHBondContact O-N 2.96Å; F252-K254 VanDerWaalsContact C-N 3.34Å; F252-C255 PolarHBondContact O-N 3.39Å; F252-K256 PolarHBondContact O-N 3.39Å
253K60.9Low55.3Low154 Ų154136.5 Ų136.567%0.6765%0.654SS**Hα-helixtrans-63.3-38.2171.8-87.2-174.7173.3-1800112I249 V250 C255 K256 Y257I249-K253 WeakPolarHBondContact O-CB 3.45Å; I249-K253 PolarHBondContact O-N 3.41Å; V250-K253 PolarHBondContact O-N 3.25Å; K253-C255 VanDerWaalsContact C-N 3.33Å; K253-C255 PolarHBondContact O-N 3.05Å; K253-K256 PolarHBondContact O-N 3.36Å; K253-Y257 PolarHBondContact O-N 3.22Å
254K57.4Low53.9Low162 Ų162141.9 Ų141.970%0.70467%0.67SS**Hα-helixtrans-65.5-33.5175.5-115.4178.5178.4177.70112.9V250 Y251 F252V250-K254 PolarHBondContact O-N 3.44Å; Y251-K254 PolarHBondContact O-N 3.19Å; F252-K254 VanDerWaalsContact C-N 3.34Å
255C52.1Low52.3Low88 Ų88143.8 Ų143.860%0.59569%0.689SS**Hα-helixtrans-73.5-30176-72.90000113.4Y251 F252 K253Y251-C255 PolarHBondContact O-N 3.01Å; Y251-C255 VanDerWaalsContact O-N 3.11Å; F252-C255 PolarHBondContact O-N 3.39Å; K253-C255 VanDerWaalsContact C-N 3.33Å; K253-C255 PolarHBondContact O-N 3.05Å
256K52.1Low50.8Low178 Ų178148.3 Ų148.377%0.77471%0.711SS**Hα-helixtrans-72.4-28.5174.6-81.1-169.4174.2-176.50113.5F252 K253 K258F252-K256 PolarHBondContact O-N 3.39Å; K253-K256 PolarHBondContact O-N 3.36Å; K256-K258 VanDerWaalsContact C-N 3.35Å
257Y45.5Very low49.5Very low207 Ų207153.2 Ų153.281%0.81273%0.731SS**Hα-helixtrans-79.2-13.5178.7-115.9-89000114.6K253K253-Y257 PolarHBondContact O-N 3.22Å
258K43.9Very low47.7Very low186 Ų186152.8 Ų152.881%0.80974%0.741SS**THydrogen-bonded Turntrans-94.34.8-175-137.5179.1-175.7-177.30114.5K256K256-K258 VanDerWaalsContact C-N 3.35Å
259R42.1Very low46.1Very low238 Ų238153.5 Ų153.590%0.89876%0.758SS**SBendtrans-107.42.8-176.9-117.6178.3-170155.11.8115
260T39Very low44.4Very low126 Ų126157 Ų15777%0.77378%0.778SS**SBendtrans-117.810.4-171.3-8.60000115.6
261S38.6Very low42.9Very low109 Ų109162.2 Ų162.276%0.76279%0.793SS**SBendtrans-123.521.6-176.764.70000115.6
262R34.6Very low41.6Very low253 Ų253163.1 Ų163.196%0.95580%0.803SS**SBendtrans-12532.3-177.8-138.4175.7-170.2176.31.3114.8
263S32Very low40.2Very low114 Ų114158.9 Ų158.980%0.79780%0.802SS**  trans-140.574.5175.2169.80000110.1
264Q37.5Very low39Very low196 Ų196157.8 Ų157.892%0.91681%0.808SS**  trans-169.387.4147.4-113170.3-000108
265S32.3Very low38Very low100 Ų100159.7 Ų159.770%0.69982%0.816SS**  trans-74.8136.9158.749.50000109
266N32.1Very low37Very low151 Ų151164.3 Ų164.381%0.80783%0.826SS**  trans69.893.5152.1-52.4-11.2000117.6
267E37.8Very low36.1Very low200 Ų200164.3 Ų164.394%0.93583%0.834SS**  trans-163.2111.5131.9-117.3171.2173.100111.4
268T32.2Very low35.4Very low136 Ų136163.7 Ų163.783%0.83483%0.831SS**  trans-69.8136.4165.3260000111.1
269C32.6Very low35.1Very low131 Ų131161.8 Ų161.889%0.88584%0.835SS**  175.7130.3125.2-98.80000112.5
270D33.3Very low34.7Very low157 Ų157156.7 Ų156.784%0.8483%0.826SS**  trans-52.9150.3174.4-75.8-56000115.1
271K39Very low34.5Very low200 Ų200156.3 Ų156.387%0.8782%0.819SS**  trans-169.4117.8131.2-103.2162.8-171.6-177.10112.3
272H37.6Very low34.4Very low191 Ų191156.7 Ų156.788%0.88481%0.813SS**  trans17.6125.2142.5-79-92.7000117.2
273G31.5Very low34.3Very low60 Ų60152 Ų15262%0.61981%0.805SS**  cis89.186.134.400000111.6
274T35.3Very low34.3Very low131 Ų131151.2 Ų151.280%0.80480%0.799SS**  trans176.8126.1135.520.10000115.3
275K35.9Very low33.9Very low201 Ų201146.9 Ų146.987%0.87479%0.79SS**  trans57.2125.1135.5-71.2176.9177.6177.80122.9
276K31.5Very low33.8Very low186 Ų186150.6 Ų150.681%0.80980%0.799SS**  trans-55.3146.9164-68.6173.4170.51790114.1
277L34.1Very low33.6Very low177 Ų177147.6 Ų147.693%0.92779%0.79SS**  trans-155.8126.1139.6-114.6135.3000110.5
278Y30.5Very low33.3Very low194 Ų194145.6 Ų145.676%0.76178%0.784SS**  trans-72.8144.5173.8-90.7-105.3000110.8
279V37.9Very low33.4Very low147 Ų147146.5 Ų146.589%0.89178%0.782SS**  trans-152.1136.6132.6176.50000109
280N32.9Very low33.2Very low131 Ų131148.3 Ų148.370%0.70178%0.783SS**  trans-77.7168.1-174.6-121.15.1000113.8
281N34.7Very low33Very low118 Ų118145.3 Ų145.363%0.63177%0.774SS**  trans102.1118.9143.6-8434.2000121.1
282D36.8Very low32.6Very low117 Ų117140.5 Ų140.563%0.62677%0.766SS**  95102.2129.9-59-21.3000121.1
283I33.4Very low32.4Very low154 Ų154141 Ų14179%0.7977%0.766SS**  71.1130.7119.8-61.1162.7000118.5
284S32.4Very low32.4Very low97 Ų97146.8 Ų146.868%0.67878%0.776SS**  trans111.290.9151.5-158.70000116
285S29Very low32Very low105 Ų105146.5 Ų146.573%0.73478%0.779SS**  trans9.7117.1136.653.20000118.6
286M28.7Very low31.8Very low179 Ų179143.4 Ų143.488%0.88277%0.77SS**  trans-165.8121.6132-150.3109.1161.900110.7
287S28.2Very low31.7Very low88 Ų88139.2 Ų139.262%0.61576%0.764SS**  trans21.5127147.661.80000120.6
288I31.3Very low31.6Very low158 Ų158138.4 Ų138.481%0.8176%0.759SS**  trans-166.997137.7-86.4136.1000104.6
289I34Very low31.7Very low154 Ų154134.8 Ų134.879%0.7976%0.757SS**  61.99996.1-59.5173.1000111.5
290D28.3Very low31.2Very low169 Ų169132 Ų13290%0.90474%0.744SS**  trans-76.6126.2177.8-155.9-6.7000109.7
291S30.1Very low31.1Very low94 Ų94131.5 Ų131.566%0.65775%0.748SS**  trans-158.6126.1174-179.70000112.3
292S30.2Very low30.9Very low100 Ų100136.1 Ų136.170%0.69976%0.758SS**  trans79.790.7152.776.10000118
293K33.5Very low30.5Very low202 Ų202139 Ų13988%0.87877%0.768SS**  -16692.3113.6-99.1164-172-178.90109.3C295K293-C295 PolarHBondContact O-N 3.45Å
294E31.8Very low30.2Very low180 Ų180137.8 Ų137.884%0.84177%0.772SS**  trans-52.1118.3169.5-74.9172.9133.200110.6
295C27.6Very low29.9Very low126 Ų126141.1 Ų141.185%0.85177%0.774SS**  trans-90.698.1160.4-70.50000107.2K293 S297K293-C295 PolarHBondContact O-N 3.45Å; C295-S297 PolarHBondContact O-N 3.45Å; C295-S297 VanDerWaalsContact O-N 3.16Å
296I32.1Very low29.8Very low136 Ų136142.1 Ų142.170%0.69778%0.78SS**  trans-72.2107170.4-62.7174.5000107.5I298I296-I298 HydrophobicContact CG2-CG1 4.39Å; I296-I298 PolarHBondContact O-N 3.31Å
297S28Very low29.7Very low98 Ų98139.6 Ų139.669%0.68577%0.769SS**  trans-69.1109.4168.764.60000109.2C295 T299C295-S297 PolarHBondContact O-N 3.45Å; C295-S297 VanDerWaalsContact O-N 3.16Å; S297-T299 PolarHBondContact O-N 3.3Å
298I32.5Very low30Very low159 Ų159143.1 Ų143.182%0.81578%0.78SS**  trans-84.997.9170.6-58.9174000107.5I296I296-I298 HydrophobicContact CG2-CG1 4.39Å; I296-I298 PolarHBondContact O-N 3.31Å
299T31.9Very low30.2Very low118 Ų118143.5 Ų143.572%0.72478%0.778SS**  trans-90.8126.6167.632.30000110.1S297S297-T299 PolarHBondContact O-N 3.3Å
300S28.9Very low30.2Very low89 Ų89141.7 Ų141.762%0.62278%0.776SS**  trans76.2121.3158.9-170.10000120.2Y302S300-Y302 PolarHBondContact OG-N 3.4Å
301P29.5Very low30.5Very low121 Ų121141 Ų14179%0.78677%0.771SS**  trans-114.682.2150.136-20.7000109.6
302Y29.7Very low30.5Very low214 Ų214142.2 Ų142.284%0.83977%0.774SS**  trans-127.884.5161.1-67.1-75.4000109S300S300-Y302 PolarHBondContact OG-N 3.4Å
303Q28.4Very low30.6Very low177 Ų177145.1 Ų145.183%0.82778%0.781SS**  trans-134.390.8156-78.1-147.9-5.500108.9
304C27.4Very low30.3Very low130 Ų130143.4 Ų143.488%0.87878%0.776SS**  trans-84.7104.4153.9-81.30000107C306C304-C306 PolarHBondContact O-N 3.44Å
305K26.1Very low30.4Very low167 Ų167141 Ų14173%0.72677%0.773SS**  trans-87.890.2174.6-157178.1-170.81790107.5L307K305-L307 HydrophobicContact CD-CD1 4.19Å; K305-L307 HydrophobicContact CG-CD1 4.21Å; K305-L307 PolarHBondContact O-N 3.09Å
306C27.4Very low30.3Very low125 Ų125142.8 Ų142.885%0.84577%0.774SS**  trans-76.2105.6167.8-68.40000108.4C304C304-C306 PolarHBondContact O-N 3.44Å
307L26.3Very low30.3Very low127 Ų127141.4 Ų141.467%0.66578%0.777SS**  trans-115.291.2172.1-112.8153.1000107.1K305K305-L307 HydrophobicContact CD-CD1 4.19Å; K305-L307 HydrophobicContact CG-CD1 4.21Å; K305-L307 PolarHBondContact O-N 3.09Å
308I35.5Very low30Very low162 Ų162143.1 Ų143.183%0.83179%0.787SS**  trans-132.6100.7162-58.6179.7000106.4
309E34.2Very low30Very low166 Ų166142 Ų14278%0.77679%0.788SS**  trans-66.6135.6166.4-75.2179.2150.200109.5I311E309-I311 PolarHBondContact O-N 2.63Å
310P35.2Very low29.8Very low115 Ų115145.6 Ų145.675%0.74779%0.794SS**  trans-77.3118.9170.229.6-29000109.6V312P310-V312 PolarHBondContact O-N 3.41Å
311I34.4Very low29.8Very low154 Ų154147.8 Ų147.879%0.7981%0.807SS**  trans-67.6112.6165.1-67173.8000107.9E309 L313E309-I311 PolarHBondContact O-N 2.63Å; I311-L313 PolarHBondContact O-N 2.82Å
312V29.2Very low29.9Very low121 Ų121147.9 Ų147.973%0.73381%0.806SS**  trans-57115.7173.2176.50000110.2P310P310-V312 PolarHBondContact O-N 3.41Å
313L32.1Very low29.9Very low160 Ų160146.3 Ų146.384%0.83881%0.811SS**  trans-93.4113.1159.5-97.4156.5000108.2I311 T315I311-L313 PolarHBondContact O-N 2.82Å; L313-T315 PolarHBondContact O-N 2.84Å; L313-T315 VanDerWaalsContact O-N 3.09Å
314H27.6Very low30.3Very low167 Ų167146.4 Ų146.477%0.77381%0.811SS**  trans-57.8102.8167.4-99.8-89.4000110.3
315T33.5Very low30.5Very low129 Ų129148.9 Ų148.979%0.79181%0.81SS**  trans-151.3117.9147.347.50000109.4L313 S317L313-T315 PolarHBondContact O-N 2.84Å; L313-T315 VanDerWaalsContact O-N 3.09Å; T315-S317 PolarHBondContact O-N 3.03Å
316N26.7Very low31Very low163 Ų163148.7 Ų148.787%0.87282%0.815SS**  trans-32.5109.3175-59.1-26.1000115.8
317S30.9Very low31.2Very low107 Ų107151.4 Ų151.475%0.74882%0.815SS**  trans-169.9110137.763.30000110.5T315 T319T315-S317 PolarHBondContact O-N 3.03Å; S317-T319 PolarHBondContact O-N 3.48Å
318C23.3Very low31.8Very low134 Ų134154.7 Ų154.791%0.90583%0.827SS**  trans-61.5126.2167.5-78.90000110.8
319T32.4Very low32.2Very low135 Ų135157.3 Ų157.383%0.82885%0.851SS**  trans-145.2123.5146.324.30000109.6S317S317-T319 PolarHBondContact O-N 3.48Å
320K26.4Very low32.1Very low195 Ų195156.9 Ų156.985%0.84886%0.855SS**  trans-57.4134.9174.5-90.8167.3160.71760110.9
321C30.1Very low31.9Very low134 Ų134159.1 Ų159.191%0.90586%0.861SS**  trans-127102.9150.8-76.30000108.7
322T32.3Very low31.8Very low124 Ų124159.4 Ų159.476%0.76187%0.865SS**  trans-72.6134.6167.718.10000109.7
323L29.2Very low31.9Very low180 Ų180161.6 Ų161.694%0.94287%0.872SS**  trans-101.198173.3-152.7132.2000107.1
324E36.4Very low31.9Very low179 Ų179161.8 Ų161.884%0.83687%0.874SS**  trans-92.6144.4172.7-99.3-176.7162.700111.4
325Q32.3Very low32.2Very low183 Ų183161.4 Ų161.486%0.85588%0.881SS**  trans-52.3143.2-175.4-64.1167.8-44.900115.7
326I35Very low32.1Very low163 Ų163163.7 Ų163.784%0.83689%0.888SS**  trans-141.898.8141.6-56.6-178.3000108.6
327H31.8Very low32.5Very low181 Ų181163.8 Ų163.884%0.83889%0.889SS**  trans-169.3101.2144.8-113.1-71.4000110
328Q40.3Very low32.6Very low197 Ų197168.5 Ų168.592%0.92190%0.901SS**  trans-150.8105.9151.1-100.9-176-6.800108.3
329T42.2Very low33.5Very low217 Ų217171.6 Ų171.6100%1.33190%0.9SS**  -138.60128.720.70000106.9

Retrieved 329 of 329 residues in 525.8 ms (Link to these results)

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