A0A3Q0KJH5_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KJH5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 94 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
1M48.1Very low68.9Low205 Ų205124.4 Ų124.4100%1.0165%0.654SS**  0-41.70-59.5-157.7-179.600113.7F3 L4 L5M1-F3 VanDerWaalsContact C-N 3.31Å; M1-F3 PolarHBondContact O-N 3.08Å; M1-L4 PolarHBondContact O-N 2.7Å; M1-L5 PolarHBondContact O-N 3.44Å
2K64.1Low69.4Low189 Ų189123.2 Ų123.282%0.82265%0.647SS**Hα-helixtrans-57.5-35.3178.8-66.7175.1173.1169.80114.8L5 G6K2-L5 PolarHBondContact O-N 3.21Å; K2-G6 PolarHBondContact O-N 3.31Å; K2-G6 VanDerWaalsContact O-N 3.11Å
3F57.2Low69.8Low192 Ų192119.8 Ų119.884%0.84263%0.634SS**Hα-helixtrans-67.3-37.9178.2-88-83.2000114.2M1 L5 G6 L7M1-F3 VanDerWaalsContact C-N 3.31Å; M1-F3 PolarHBondContact O-N 3.08Å; F3-L5 VanDerWaalsContact C-N 3.34Å; F3-G6 PolarHBondContact O-N 3Å; F3-L7 PolarHBondContact O-N 3.33Å
4L71.8Confident70Confident130 Ų130116.5 Ų116.568%0.68162%0.621SS**Hα-helixtrans-66.4-39.1177.9-73.2166.6000111.2M1 L7 S8M1-L4 PolarHBondContact O-N 2.7Å; L4-L7 PolarHBondContact O-N 3.48Å; L4-S8 VanDerWaalsContact O-CB 3.27Å; L4-S8 WeakPolarHBondContact O-CB 3.39Å; L4-S8 PolarHBondContact O-N 2.94Å
5L68.7Low70.2Confident123 Ų123115.5 Ų115.564%0.64462%0.615SS**Hα-helixtrans-60.9-45.6172.4-102.1152.8000111.7M1 K2 F3 S8 L9M1-L5 PolarHBondContact O-N 3.44Å; K2-L5 PolarHBondContact O-N 3.21Å; F3-L5 VanDerWaalsContact C-N 3.34Å; L5-S8 PolarHBondContact O-N 2.84Å; L5-L9 WeakPolarHBondContact O-CB 3.29Å; L5-L9 PolarHBondContact O-N 3.12Å
6G73.5Confident70.1Confident45 Ų45113.6 Ų113.646%0.46461%0.609SS.*Hα-helixtrans-62.4-41.9176.300000113.1K2 F3 L9 L10K2-G6 PolarHBondContact O-N 3.31Å; K2-G6 VanDerWaalsContact O-N 3.11Å; F3-G6 PolarHBondContact O-N 3Å; G6-L9 PolarHBondContact O-N 3.38Å; G6-L10 WeakPolarHBondContact O-CB 3.42Å; G6-L10 PolarHBondContact O-N 3.41Å
7L73.4Confident69.6Low110 Ų110112.1 Ų112.158%0.57661%0.608SS**Hα-helixtrans-67.4-43177.4-164.973.4000111.7F3 L4 L9 L10 V11F3-L7 PolarHBondContact O-N 3.33Å; L4-L7 PolarHBondContact O-N 3.48Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.5Å; L7-L10 PolarHBondContact O-N 3.42Å; L7-V11 WeakPolarHBondContact O-CG2 3.36Å; L7-V11 PolarHBondContact O-N 3.21Å
8S72.2Confident69.3Low71 Ų71112.3 Ų112.350%0.49761%0.614SS.*Hα-helixtrans-60.3-43174.9167.10000111.7L4 L5 V11 L12L4-S8 VanDerWaalsContact O-CB 3.27Å; L4-S8 WeakPolarHBondContact O-CB 3.39Å; L4-S8 PolarHBondContact O-N 2.94Å; L5-S8 PolarHBondContact O-N 2.84Å; S8-V11 PolarHBondContact O-N 3.11Å; S8-L12 PolarHBondContact O-N 3.22Å
9L76.1Confident68.7Low114 Ų114114.3 Ų114.360%0.59762%0.618SS**Hα-helixtrans-64.6-42.1177.1-148.294.7000111.3L5 G6 L7 L12 V13L5-L9 WeakPolarHBondContact O-CB 3.29Å; L5-L9 PolarHBondContact O-N 3.12Å; G6-L9 PolarHBondContact O-N 3.38Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.5Å; L9-L12 PolarHBondContact O-N 3.1Å; L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.21Å; L9-V13 PolarHBondContact O-N 2.88Å
10L76.5Confident68Low105 Ų105111.6 Ų111.655%0.5561%0.612SS.*Hα-helixtrans-60.8-45.2177-174.171000111.3G6 L7 L12 V13 T14G6-L10 WeakPolarHBondContact O-CB 3.42Å; G6-L10 PolarHBondContact O-N 3.41Å; L7-L10 PolarHBondContact O-N 3.42Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.22Å; L10-V13 PolarHBondContact O-N 3.17Å; L10-T14 WeakPolarHBondContact O-CG2 3.14Å; L10-T14 PolarHBondContact O-N 3.04Å; L10-T14 PolarHBondContact O-OG1 2.79Å
11V76.2Confident67.4Low84 Ų84112 Ų11251%0.50962%0.618SS.*Hα-helixtrans-61.7-43.5176.5172.90000110.8L7 S8 V13 T14 L15L7-V11 WeakPolarHBondContact O-CG2 3.36Å; L7-V11 PolarHBondContact O-N 3.21Å; S8-V11 PolarHBondContact O-N 3.11Å; V11-V13 PolarHBondContact O-N 3.4Å; V11-T14 WeakPolarHBondContact CA-OG1 3.21Å; V11-T14 PolarHBondContact O-N 3Å; V11-T14 PolarHBondContact O-OG1 2.77Å; V11-L15 WeakPolarHBondContact O-CB 3.41Å; V11-L15 PolarHBondContact O-N 3.43Å
12L74.6Confident67.7Low110 Ų110104.7 Ų104.758%0.57659%0.586SS**Hα-helixtrans-61.3-45178.2-142.1102.7000111.4S8 L9 L10 L15 V16S8-L12 PolarHBondContact O-N 3.22Å; L9-L12 PolarHBondContact O-N 3.1Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.22Å; L12-L15 PolarHBondContact O-N 3.14Å; L12-V16 VanDerWaalsContact O-CG2 3.29Å; L12-V16 WeakPolarHBondContact O-CG2 3.05Å; L12-V16 PolarHBondContact O-N 3.35Å
13V75.2Confident67.3Low79 Ų79103.9 Ų103.948%0.47959%0.585SS.*Hα-helixtrans-62.6-43.9176.81720000110.7L9 L10 V11 L15 V16 C17L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.21Å; L9-V13 PolarHBondContact O-N 2.88Å; L10-V13 PolarHBondContact O-N 3.17Å; V11-V13 PolarHBondContact O-N 3.4Å; V13-L15 VanDerWaalsContact C-N 3.33Å; V13-L15 PolarHBondContact O-N 3.21Å; V13-V16 PolarHBondContact O-N 3.49Å; V13-C17 WeakPolarHBondContact O-CB 3.39Å; V13-C17 PolarHBondContact O-N 2.74Å; V13-C17 PolarHBondContact O-SG 3.34Å
14T71.8Confident67.3Low74 Ų74101 Ų10145%0.45458%0.583SS.*Hα-helixtrans-65.2-36.1177.1530000112.6L10 V11 C17 V18L10-T14 WeakPolarHBondContact O-CG2 3.14Å; L10-T14 PolarHBondContact O-N 3.04Å; L10-T14 PolarHBondContact O-OG1 2.79Å; V11-T14 WeakPolarHBondContact CA-OG1 3.21Å; V11-T14 PolarHBondContact O-N 3Å; V11-T14 PolarHBondContact O-OG1 2.77Å; T14-C17 PolarHBondContact O-N 3.41Å; T14-V18 WeakPolarHBondContact O-CG2 3.34Å; T14-V18 PolarHBondContact O-N 3.37Å
15L74.2Confident66.7Low101 Ų10198.6 Ų98.653%0.52959%0.589SS.*Hα-helixtrans-66-47.7177.6-157.889.6000110.8V11 L12 V13 C17 V18 E19V11-L15 WeakPolarHBondContact O-CB 3.41Å; V11-L15 PolarHBondContact O-N 3.43Å; L12-L15 PolarHBondContact O-N 3.14Å; V13-L15 VanDerWaalsContact C-N 3.33Å; V13-L15 PolarHBondContact O-N 3.21Å; L15-C17 VanDerWaalsContact C-N 3.33Å; L15-C17 PolarHBondContact O-N 2.8Å; L15-V18 PolarHBondContact O-N 2.8Å; L15-V18 VanDerWaalsContact O-N 3.12Å; L15-E19 PolarHBondContact O-N 3.47Å
16V68.6Low66.3Low85 Ų8596.6 Ų96.652%0.51558%0.579SS.*Hα-helixtrans-62.9-39.6177.3172.90000111.2L12 V13 V18 A20L12-V16 VanDerWaalsContact O-CG2 3.29Å; L12-V16 WeakPolarHBondContact O-CG2 3.05Å; L12-V16 PolarHBondContact O-N 3.35Å; V13-V16 PolarHBondContact O-N 3.49Å; V16-V18 VanDerWaalsContact C-N 3.3Å; V16-V18 PolarHBondContact O-N 2.87Å; V16-A20 WeakPolarHBondContact O-CB 3.17Å; V16-A20 PolarHBondContact O-N 3.42Å
17C61.7Low65.9Low89 Ų8998.4 Ų98.460%0.60158%0.576SS**Hα-helixtrans-68-26.2175.2-73.10000113.7V13 T14 L15V13-C17 WeakPolarHBondContact O-CB 3.39Å; V13-C17 PolarHBondContact O-N 2.74Å; V13-C17 PolarHBondContact O-SG 3.34Å; T14-C17 PolarHBondContact O-N 3.41Å; L15-C17 VanDerWaalsContact C-N 3.33Å; L15-C17 PolarHBondContact O-N 2.8Å
18V62.9Low65.6Low116 Ų116100.9 Ų100.970%0.70359%0.586SS**Hα-helixtrans-80.5-39.7176.2167.90000111.3T14 L15 V16T14-V18 WeakPolarHBondContact O-CG2 3.34Å; T14-V18 PolarHBondContact O-N 3.37Å; L15-V18 PolarHBondContact O-N 2.8Å; L15-V18 VanDerWaalsContact O-N 3.12Å; V16-V18 VanDerWaalsContact C-N 3.3Å; V16-V18 PolarHBondContact O-N 2.87Å
19E59Low65.5Low149 Ų149102.3 Ų102.370%0.69659%0.588SS**Hα-helixtrans-73.2-30.2176.7-75-176.6171.400112.8L15 T21L15-E19 PolarHBondContact O-N 3.47Å; E19-T21 PolarHBondContact O-N 3.46Å; E19-T21 PolarHBondContact O-OG1 3.31Å
20A55Low65.2Low60 Ų60100 Ų10050%0.49658%0.576SS.*  trans-75.565.6171.700000110.8V16 P22V16-A20 WeakPolarHBondContact O-CB 3.17Å; V16-A20 PolarHBondContact O-N 3.42Å; A20-P22 WeakPolarHBondContact O-CD 3.32Å; A20-P22 VanDerWaalsContact O-N 3.16Å
21T54.8Low65.2Low120 Ų120101 Ų10174%0.73658%0.576SS**  trans-58.6112.7162.2-0.70000107.9E19E19-T21 PolarHBondContact O-N 3.46Å; E19-T21 PolarHBondContact O-OG1 3.31Å
22P53.4Low65.2Low53 Ų53105.9 Ų105.934%0.34459%0.585SS.*  trans-76134.4-174.430.5-33.2000110.8A20 L30A20-P22 WeakPolarHBondContact O-CD 3.32Å; A20-P22 VanDerWaalsContact O-N 3.16Å; P22-L30 HydrophobicContact CB-CD1 3.09Å; P22-L30 HydrophobicContact CG-CD1 3.71Å
23E56.5Low65.3Low171 Ų171105.8 Ų105.880%0.79958%0.583SS**  trans-58.3139.7173-63.6-157.8161.900110.3G25 D26E23-G25 PolarHBondContact O-N 2.96Å; E23-D26 PolarHBondContact O-N 3.39Å
24V57.2Low65.3Low133 Ų133106.6 Ų106.681%0.80659%0.588SS**THydrogen-bonded Turntrans-54-12.2-163.6179.10000115
25G59.9Low65.5Low78 Ų78108.1 Ų108.180%0.80459%0.592SS**THydrogen-bonded Turntrans-84.1-24.2174.500000115.8E23E23-G25 PolarHBondContact O-N 2.96Å
26D59.9Low65.9Low82 Ų82107 Ų10744%0.43959%0.587SS.*SBendtrans-102.2-1.4-170-128.6-14.3000113.5E23 M28 L29 L30E23-D26 PolarHBondContact O-N 3.39Å; D26-M28 VanDerWaalsContact C-N 3.29Å; D26-M28 PolarHBondContact O-N 3.27Å; D26-L29 PolarHBondContact O-N 2.87Å; D26-L29 WeakPolarHBondContact OD1-CD1 3.18Å; D26-L30 HydrophobicContact CB-CD1 4.31Å; D26-L30 WeakPolarHBondContact O-CB 3.08Å; D26-L30 PolarHBondContact O-N 2.96Å
27E64.7Low66.2Low82 Ų82107.2 Ų107.238%0.38359%0.589SS.*Hα-helixtrans-58.5-38-176.5-68.8-158.8147.400113.3K31E27-K31 VanDerWaalsContact O-CB 3.25Å; E27-K31 WeakPolarHBondContact O-CB 3.09Å; E27-K31 WeakPolarHBondContact O-CG 3.29Å; E27-K31 PolarHBondContact O-N 3.43Å; E27-K31 IonicContact OE2-NZ 3.11Å
28M66.3Low66.9Low163 Ų163104.7 Ų104.780%0.80357%0.574SS**Hα-helixtrans-69.3-39-179.9-80.5-122.4-75.900112D26 R32D26-M28 VanDerWaalsContact C-N 3.29Å; D26-M28 PolarHBondContact O-N 3.27Å; M28-R32 WeakPolarHBondContact O-CB 3.5Å; M28-R32 PolarHBondContact O-N 2.93Å
29L71.4Confident67.5Low101 Ų101102.9 Ų102.953%0.52956%0.561SS.*Hα-helixtrans-69.9-42.2176.6-73.4176.9000110.7D26 R32 M33D26-L29 PolarHBondContact O-N 2.87Å; D26-L29 WeakPolarHBondContact OD1-CD1 3.18Å; L29-R32 PolarHBondContact O-N 2.92Å; L29-M33 HydrophobicContact CB-CE 4.48Å; L29-M33 WeakPolarHBondContact O-CB 3.25Å; L29-M33 WeakPolarHBondContact O-CG 3.35Å; L29-M33 PolarHBondContact O-N 2.79Å
30L69.9Low68.5Low64 Ų64101.6 Ų101.634%0.33555%0.552SS.*Hα-helixtrans-64.2-45.4174.9-75.6164.6000112.3P22 D26 R32 M33 V34P22-L30 HydrophobicContact CB-CD1 3.09Å; P22-L30 HydrophobicContact CG-CD1 3.71Å; D26-L30 HydrophobicContact CB-CD1 4.31Å; D26-L30 WeakPolarHBondContact O-CB 3.08Å; D26-L30 PolarHBondContact O-N 2.96Å; L30-R32 VanDerWaalsContact C-N 3.28Å; L30-R32 PolarHBondContact O-N 3.18Å; L30-M33 HydrophobicContact CD2-CE 3.89Å; L30-M33 HydrophobicContact CG-CE 4.28Å; L30-M33 PolarHBondContact O-N 3.42Å; L30-V34 WeakPolarHBondContact O-CB 3.14Å; L30-V34 WeakPolarHBondContact O-CG2 3.21Å; L30-V34 PolarHBondContact O-N 2.76Å
31K76Confident69.4Low127 Ų127104 Ų10455%0.55256%0.556SS**Hα-helixtrans-57.9-42.5174.3-77.5171.4-177165.60111.2E27 L35E27-K31 VanDerWaalsContact O-CB 3.25Å; E27-K31 WeakPolarHBondContact O-CB 3.09Å; E27-K31 WeakPolarHBondContact O-CG 3.29Å; E27-K31 PolarHBondContact O-N 3.43Å; E27-K31 IonicContact OE2-NZ 3.11Å; K31-L35 VanDerWaalsContact O-CB 3.32Å; K31-L35 WeakPolarHBondContact O-CB 3.35Å; K31-L35 WeakPolarHBondContact O-CD1 3.19Å; K31-L35 VanDerWaalsContact O-CG 3.28Å; K31-L35 WeakPolarHBondContact O-CG 3.29Å; K31-L35 PolarHBondContact O-N 3.31Å
32R76.7Confident70.4Confident187 Ų187103.8 Ų103.871%0.70655%0.545SS*.Hα-helixtrans-66.1-44176.9-173.4175-74.5-168-2.6112.1M28 L29 L30 L35 D36M28-R32 WeakPolarHBondContact O-CB 3.5Å; M28-R32 PolarHBondContact O-N 2.93Å; L29-R32 PolarHBondContact O-N 2.92Å; L30-R32 VanDerWaalsContact C-N 3.28Å; L30-R32 PolarHBondContact O-N 3.18Å; R32-L35 PolarHBondContact O-N 3.48Å; R32-D36 WeakPolarHBondContact O-CB 3.31Å; R32-D36 PolarHBondContact O-N 2.86Å
33M76.1Confident71.5Confident108 Ų108108 Ų10853%0.53256%0.562SS.*Hα-helixtrans-64.7-41.1176.6-75.5-170-76.200112L29 L30 T37L29-M33 HydrophobicContact CB-CE 4.48Å; L29-M33 WeakPolarHBondContact O-CB 3.25Å; L29-M33 WeakPolarHBondContact O-CG 3.35Å; L29-M33 PolarHBondContact O-N 2.79Å; L30-M33 HydrophobicContact CD2-CE 3.89Å; L30-M33 HydrophobicContact CG-CE 4.28Å; L30-M33 PolarHBondContact O-N 3.42Å; M33-T37 WeakPolarHBondContact O-CB 3.23Å; M33-T37 PolarHBondContact O-N 2.75Å; M33-T37 PolarHBondContact O-OG1 3.49Å
34V74.9Confident72.3Confident96 Ų96104.4 Ų104.458%0.58255%0.548SS*.Hα-helixtrans-65.4-44.1176.2170.30000110.5L30 T37 A38L30-V34 WeakPolarHBondContact O-CB 3.14Å; L30-V34 WeakPolarHBondContact O-CG2 3.21Å; L30-V34 PolarHBondContact O-N 2.76Å; V34-T37 PolarHBondContact O-N 2.81Å; V34-A38 WeakPolarHBondContact O-CB 3.33Å; V34-A38 PolarHBondContact O-N 2.87Å
35L76.9Confident72.9Confident105 Ų105101.2 Ų101.255%0.5553%0.529SS..Hα-helixtrans-62.7-47.7176.1-79164.7000111.8K31 R32 T37 A38 D39K31-L35 VanDerWaalsContact O-CB 3.32Å; K31-L35 WeakPolarHBondContact O-CB 3.35Å; K31-L35 WeakPolarHBondContact O-CD1 3.19Å; K31-L35 VanDerWaalsContact O-CG 3.28Å; K31-L35 WeakPolarHBondContact O-CG 3.29Å; K31-L35 PolarHBondContact O-N 3.31Å; R32-L35 PolarHBondContact O-N 3.48Å; L35-T37 VanDerWaalsContact C-N 3.33Å; L35-T37 PolarHBondContact O-N 3.43Å; L35-A38 PolarHBondContact O-N 3.06Å; L35-D39 WeakPolarHBondContact O-CB 3.34Å; L35-D39 PolarHBondContact O-N 3.45Å
36D81.6Confident73.5Confident79 Ų79103 Ų10342%0.42252%0.52SS..Hα-helixtrans-65.2-38.4179-171.840.3000111.6R32 D39 K40R32-D36 WeakPolarHBondContact O-CB 3.31Å; R32-D36 PolarHBondContact O-N 2.86Å; D36-D39 PolarHBondContact O-N 3.46Å; D36-K40 WeakPolarHBondContact O-CB 3.43Å; D36-K40 WeakPolarHBondContact O-CG 3.46Å; D36-K40 PolarHBondContact O-N 2.72Å; D36-K40 IonicContact OD1-NZ 3.72Å; D36-K40 IonicContact OD2-NZ 2.72Å; D36-K40 PolarHBondContact OD2-NZ 3.26Å
37T76.5Confident74.2Confident89 Ų89106.6 Ų106.655%0.54653%0.531SS..Hα-helixtrans-67.8-41.6174.5-56.20000111.2M33 V34 L35 K40 L41M33-T37 WeakPolarHBondContact O-CB 3.23Å; M33-T37 PolarHBondContact O-N 2.75Å; M33-T37 PolarHBondContact O-OG1 3.49Å; V34-T37 PolarHBondContact O-N 2.81Å; L35-T37 VanDerWaalsContact C-N 3.33Å; L35-T37 PolarHBondContact O-N 3.43Å; T37-K40 PolarHBondContact O-N 2.84Å; T37-L41 VanDerWaalsContact O-CB 3.22Å; T37-L41 WeakPolarHBondContact O-CB 3.3Å; T37-L41 PolarHBondContact O-N 3.28Å
38A74.5Confident74.5Confident35 Ų35108.7 Ų108.729%0.28954%0.541SS..Hα-helixtrans-64.8-39.7176.700000111.3V34 L35 L41 K42V34-A38 WeakPolarHBondContact O-CB 3.33Å; V34-A38 PolarHBondContact O-N 2.87Å; L35-A38 PolarHBondContact O-N 3.06Å; A38-L41 PolarHBondContact O-N 3.4Å; A38-K42 WeakPolarHBondContact O-CB 3.34Å; A38-K42 WeakPolarHBondContact O-CG 3.4Å; A38-K42 PolarHBondContact O-N 2.83Å
39D76.7Confident74.7Confident79 Ų79105.6 Ų105.642%0.42253%0.526SS..Hα-helixtrans-72.5-38.1178.1-73.8-22.2000112L35 D36 K42 M43L35-D39 WeakPolarHBondContact O-CB 3.34Å; L35-D39 PolarHBondContact O-N 3.45Å; D36-D39 PolarHBondContact O-N 3.46Å; D39-K42 PolarHBondContact O-N 3.29Å; D39-K42 IonicContact OD1-NZ 3.55Å; D39-K42 PolarHBondContact OD1-NZ 2.92Å; D39-K42 VanDerWaalsContact OD1-NZ 3.11Å; D39-M43 WeakPolarHBondContact O-CB 3.19Å; D39-M43 PolarHBondContact O-N 2.67Å
40K78.9Confident74.7Confident121 Ų121103.1 Ų103.153%0.52652%0.52SS..Hα-helixtrans-62.2-43.7169-77.5168.6179.6158.60111.8D36 T37 M43 L44D36-K40 WeakPolarHBondContact O-CB 3.43Å; D36-K40 WeakPolarHBondContact O-CG 3.46Å; D36-K40 PolarHBondContact O-N 2.72Å; D36-K40 IonicContact OD1-NZ 3.72Å; D36-K40 IonicContact OD2-NZ 2.72Å; D36-K40 PolarHBondContact OD2-NZ 3.26Å; T37-K40 PolarHBondContact O-N 2.84Å; K40-M43 PolarHBondContact O-N 3.3Å; K40-L44 WeakPolarHBondContact O-CB 3.35Å; K40-L44 VanDerWaalsContact O-CG 3.29Å; K40-L44 WeakPolarHBondContact O-CG 3.45Å; K40-L44 PolarHBondContact O-N 2.75Å
41L74.7Confident74.8Confident110 Ų110102.6 Ų102.658%0.57653%0.525SS*.Hα-helixtrans-64.5-42.8176.8-166.889.6000110.9T37 A38 L44 T45T37-L41 VanDerWaalsContact O-CB 3.22Å; T37-L41 WeakPolarHBondContact O-CB 3.3Å; T37-L41 PolarHBondContact O-N 3.28Å; A38-L41 PolarHBondContact O-N 3.4Å; L41-L44 PolarHBondContact O-N 3.39Å; L41-T45 WeakPolarHBondContact O-CB 3.29Å; L41-T45 PolarHBondContact O-N 2.88Å; L41-T45 PolarHBondContact O-OG1 3.48Å
42K75.5Confident74.4Confident117 Ų117100 Ų10051%0.50952%0.523SS..Hα-helixtrans-59.7-47173.2-78.3171.9-169161.80110.6A38 D39 L44 T45 L46A38-K42 WeakPolarHBondContact O-CB 3.34Å; A38-K42 WeakPolarHBondContact O-CG 3.4Å; A38-K42 PolarHBondContact O-N 2.83Å; D39-K42 PolarHBondContact O-N 3.29Å; D39-K42 IonicContact OD1-NZ 3.55Å; D39-K42 PolarHBondContact OD1-NZ 2.92Å; D39-K42 VanDerWaalsContact OD1-NZ 3.11Å; K42-L44 PolarHBondContact O-N 2.78Å; K42-T45 PolarHBondContact O-N 3.21Å; K42-L46 VanDerWaalsContact O-CB 3.3Å; K42-L46 WeakPolarHBondContact O-CB 3.22Å; K42-L46 VanDerWaalsContact O-CG 3.23Å; K42-L46 WeakPolarHBondContact O-CG 3.35Å; K42-L46 PolarHBondContact O-N 3.5Å
43M76.8Confident74Confident140 Ų14099.5 Ų99.569%0.6952%0.52SS*.Hα-helixtrans-63.2-42.8179.5-168.8-177.1-68.600111.5D39 K40 K47D39-M43 WeakPolarHBondContact O-CB 3.19Å; D39-M43 PolarHBondContact O-N 2.67Å; K40-M43 PolarHBondContact O-N 3.3Å; M43-K47 WeakPolarHBondContact O-CB 3.4Å; M43-K47 PolarHBondContact O-N 3.24Å
44L72.7Confident73.7Confident96 Ų9699 Ų9950%0.50352%0.52SS..Hα-helixtrans-63.1-47.3173.4-73173.9000111K40 L41 K42 L46 K47 H48K40-L44 WeakPolarHBondContact O-CB 3.35Å; K40-L44 VanDerWaalsContact O-CG 3.29Å; K40-L44 WeakPolarHBondContact O-CG 3.45Å; K40-L44 PolarHBondContact O-N 2.75Å; L41-L44 PolarHBondContact O-N 3.39Å; K42-L44 PolarHBondContact O-N 2.78Å; L44-L46 PolarHBondContact O-N 2.84Å; L44-K47 PolarHBondContact O-N 3.42Å; L44-H48 PolarHBondContact O-N 3.4Å; L44-H48 PolarHBondContact O-ND1 2.72Å
45T69.8Low73.4Confident66 Ų66101.2 Ų101.241%0.40552%0.522SS..Hα-helixtrans-61.7-43.9179.5-57.80000110.6L41 K42 K47 H48 I49L41-T45 WeakPolarHBondContact O-CB 3.29Å; L41-T45 PolarHBondContact O-N 2.88Å; L41-T45 PolarHBondContact O-OG1 3.48Å; K42-T45 PolarHBondContact O-N 3.21Å; T45-K47 PolarHBondContact O-N 3.44Å; T45-H48 PolarHBondContact O-N 3.04Å; T45-I49 HydrophobicContact CG2-CD1 3.68Å; T45-I49 HydrophobicContact CG2-CG1 4.26Å; T45-I49 VanDerWaalsContact O-CB 3.31Å; T45-I49 WeakPolarHBondContact O-CB 3.45Å; T45-I49 WeakPolarHBondContact O-CG1 3.41Å; T45-I49 PolarHBondContact O-N 3.46Å
46L72.9Confident72.8Confident117 Ų11799 Ų9961%0.61351%0.513SS*.Hα-helixtrans-62.4-41.5174.5-74.3171.9000111.8K42 L44 I49 A50K42-L46 VanDerWaalsContact O-CB 3.3Å; K42-L46 WeakPolarHBondContact O-CB 3.22Å; K42-L46 VanDerWaalsContact O-CG 3.23Å; K42-L46 WeakPolarHBondContact O-CG 3.35Å; K42-L46 PolarHBondContact O-N 3.5Å; L44-L46 PolarHBondContact O-N 2.84Å; L46-I49 PolarHBondContact O-N 2.91Å; L46-A50 WeakPolarHBondContact O-CB 3.43Å; L46-A50 PolarHBondContact O-N 2.8Å
47K74.6Confident72Confident156 Ų15699.3 Ų99.368%0.67851%0.512SS*.Hα-helixtrans-65.1-41.3176.3-167.5174.8-177.1176.20111.8M43 L44 T45 A51M43-K47 WeakPolarHBondContact O-CB 3.4Å; M43-K47 PolarHBondContact O-N 3.24Å; L44-K47 PolarHBondContact O-N 3.42Å; T45-K47 PolarHBondContact O-N 3.44Å; K47-A51 VanDerWaalsContact O-CB 3.32Å; K47-A51 WeakPolarHBondContact O-CB 3.36Å; K47-A51 PolarHBondContact O-N 3.04Å
48H72Confident71.5Confident127 Ų12798.7 Ų98.759%0.58851%0.508SS*.Hα-helixtrans-68.2-42.2175.4-73.682.1000111.7L44 T45 A51 C52L44-H48 PolarHBondContact O-N 3.4Å; L44-H48 PolarHBondContact O-ND1 2.72Å; T45-H48 PolarHBondContact O-N 3.04Å; H48-A51 PolarHBondContact O-N 2.81Å; H48-C52 WeakPolarHBondContact O-CB 3.5Å; H48-C52 PolarHBondContact O-N 3.11Å
49I70Confident70.7Confident98 Ų98104 Ų10450%0.50352%0.521SS..Hα-helixtrans-63.2-43.4175-71.9170.5000110.1T45 L46 C52 R53T45-I49 HydrophobicContact CG2-CD1 3.68Å; T45-I49 HydrophobicContact CG2-CG1 4.26Å; T45-I49 VanDerWaalsContact O-CB 3.31Å; T45-I49 WeakPolarHBondContact O-CB 3.45Å; T45-I49 WeakPolarHBondContact O-CG1 3.41Å; T45-I49 PolarHBondContact O-N 3.46Å; L46-I49 PolarHBondContact O-N 2.91Å; I49-C52 PolarHBondContact O-N 2.83Å; I49-R53 WeakPolarHBondContact O-CB 3.36Å; I49-R53 PolarHBondContact O-N 3.45Å
50A72.2Confident70Confident48 Ų48103.7 Ų103.740%0.39752%0.516SS..Hα-helixtrans-65.3-43.7177.900000111.7L46 R53 N54L46-A50 WeakPolarHBondContact O-CB 3.43Å; L46-A50 PolarHBondContact O-N 2.8Å; A50-R53 PolarHBondContact O-N 3.47Å; A50-N54 WeakPolarHBondContact O-CB 3.22Å; A50-N54 VanDerWaalsContact O-CG 3.31Å; A50-N54 PolarHBondContact O-N 3.41Å
51A71.5Confident69.3Low53 Ų53107.1 Ų107.144%0.43853%0.526SS..Hα-helixtrans-64.8-42.7175.800000112K47 H48 N54 K55K47-A51 VanDerWaalsContact O-CB 3.32Å; K47-A51 WeakPolarHBondContact O-CB 3.36Å; K47-A51 PolarHBondContact O-N 3.04Å; H48-A51 PolarHBondContact O-N 2.81Å; A51-N54 PolarHBondContact O-N 2.91Å; A51-K55 PolarHBondContact O-N 2.89Å
52C68Low68.6Low74 Ų74108.7 Ų108.750%0.553%0.53SS..Hα-helixtrans-62.9-48.5175.1-170.10000110.2H48 I49 N54 K55 V56H48-C52 WeakPolarHBondContact O-CB 3.5Å; H48-C52 PolarHBondContact O-N 3.11Å; I49-C52 PolarHBondContact O-N 2.83Å; C52-N54 VanDerWaalsContact C-N 3.34Å; C52-N54 PolarHBondContact O-N 3.24Å; C52-K55 PolarHBondContact O-N 3.13Å; C52-V56 WeakPolarHBondContact O-CB 3.47Å; C52-V56 WeakPolarHBondContact O-CG2 3.33Å; C52-V56 PolarHBondContact O-N 2.77Å
53R68.5Low68Low175 Ų175108.1 Ų108.166%0.6653%0.533SS*.Hα-helixtrans-58.4-43177.4-176.9176.6170.2173.2-1.3111.8I49 A50 V56 Q57I49-R53 WeakPolarHBondContact O-CB 3.36Å; I49-R53 PolarHBondContact O-N 3.45Å; A50-R53 PolarHBondContact O-N 3.47Å; R53-V56 PolarHBondContact O-N 2.92Å; R53-Q57 WeakPolarHBondContact O-CB 3.39Å; R53-Q57 PolarHBondContact O-N 3.29Å
54N69.5Low67.2Low97 Ų97108.4 Ų108.452%0.51954%0.537SS..Hα-helixtrans-66.3-43.6177.1-75.6-13.1000112A50 A51 C52 Q57 T58A50-N54 WeakPolarHBondContact O-CB 3.22Å; A50-N54 VanDerWaalsContact O-CG 3.31Å; A50-N54 PolarHBondContact O-N 3.41Å; A51-N54 PolarHBondContact O-N 2.91Å; C52-N54 VanDerWaalsContact C-N 3.34Å; C52-N54 PolarHBondContact O-N 3.24Å; N54-Q57 PolarHBondContact O-N 3.45Å; N54-T58 WeakPolarHBondContact O-CB 3.39Å; N54-T58 PolarHBondContact O-N 2.87Å; N54-T58 PolarHBondContact O-OG1 3.08Å
55K67.5Low66.5Low144 Ų144107 Ų10763%0.62653%0.529SS*.Hα-helixtrans-61.3-50.4174.3-77.8-173.6176.4-174.80111A51 C52 Q57 T58 Y59A51-K55 PolarHBondContact O-N 2.89Å; C52-K55 PolarHBondContact O-N 3.13Å; K55-Q57 VanDerWaalsContact C-N 3.32Å; K55-Q57 PolarHBondContact O-N 3.08Å; K55-T58 PolarHBondContact O-N 2.83Å; K55-T58 VanDerWaalsContact O-N 3.1Å; K55-Y59 HydrophobicContact CB-CD2 4.43Å; K55-Y59 WeakPolarHBondContact O-CD2 3.4Å; K55-Y59 PolarHBondContact O-N 3.43Å
56V64.7Low66Low59 Ų59105.9 Ų105.936%0.35853%0.531SS..Hα-helixtrans-59.2-43.2179.8170.40000110.9C52 R53 T58 F60C52-V56 WeakPolarHBondContact O-CB 3.47Å; C52-V56 WeakPolarHBondContact O-CG2 3.33Å; C52-V56 PolarHBondContact O-N 2.77Å; R53-V56 PolarHBondContact O-N 2.92Å; V56-T58 VanDerWaalsContact C-N 3.35Å; V56-T58 PolarHBondContact O-N 3.21Å; V56-F60 HydrophobicContact CB-CE2 4.38Å; V56-F60 HydrophobicContact CG1-CD2 3.4Å; V56-F60 VanDerWaalsContact CG1-CD2 3.4Å; V56-F60 HydrophobicContact CG1-CE2 3.03Å; V56-F60 HydrophobicContact CG1-CZ 3.94Å; V56-F60 WeakPolarHBondContact O-CB 3.14Å; V56-F60 WeakPolarHBondContact O-CD2 3.41Å; V56-F60 WeakPolarHBondContact O-CG 3.48Å; V56-F60 PolarHBondContact O-N 3.41Å
57Q64.4Low65.4Low85 Ų85108.3 Ų108.340%0.39754%0.539SS..Hα-helixtrans-68.1-33.3176.2-171.3176.13.500112.6R53 N54 K55 R61R53-Q57 WeakPolarHBondContact O-CB 3.39Å; R53-Q57 PolarHBondContact O-N 3.29Å; N54-Q57 PolarHBondContact O-N 3.45Å; K55-Q57 VanDerWaalsContact C-N 3.32Å; K55-Q57 PolarHBondContact O-N 3.08Å; Q57-R61 WeakPolarHBondContact O-CB 3.39Å; Q57-R61 VanDerWaalsContact O-CG 3.29Å; Q57-R61 WeakPolarHBondContact O-CG 3.39Å; Q57-R61 PolarHBondContact O-N 3.11Å
58T67.3Low64.9Low76 Ų76108.3 Ų108.347%0.46654%0.539SS..Hα-helixtrans-70.3-48.5175.5-51.70000110.4N54 K55 V56 F60 R61 E62N54-T58 WeakPolarHBondContact O-CB 3.39Å; N54-T58 PolarHBondContact O-N 2.87Å; N54-T58 PolarHBondContact O-OG1 3.08Å; K55-T58 PolarHBondContact O-N 2.83Å; K55-T58 VanDerWaalsContact O-N 3.1Å; V56-T58 VanDerWaalsContact C-N 3.35Å; V56-T58 PolarHBondContact O-N 3.21Å; T58-F60 VanDerWaalsContact C-N 3.32Å; T58-F60 PolarHBondContact O-N 3.47Å; T58-R61 PolarHBondContact O-N 3.46Å; T58-R61 VanDerWaalsContact O-N 3.12Å; T58-E62 PolarHBondContact O-N 3.26Å; T58-E62 VanDerWaalsContact O-N 3.08Å
59Y57.7Low64.5Low147 Ų147104.2 Ų104.258%0.57652%0.522SS*.Hα-helixtrans-57.5-43173.8-82.5-69000111.9K55 R61 E62 D63K55-Y59 HydrophobicContact CB-CD2 4.43Å; K55-Y59 WeakPolarHBondContact O-CD2 3.4Å; K55-Y59 PolarHBondContact O-N 3.43Å; Y59-R61 VanDerWaalsContact C-N 3.32Å; Y59-R61 PolarHBondContact O-N 3.48Å; Y59-E62 PolarHBondContact O-N 3.29Å; Y59-D63 PolarHBondContact O-N 2.93Å
60F60.8Low64.3Low71 Ų71102.1 Ų102.131%0.31152%0.519SS..Hα-helixtrans-73.6-20.3178.4-68.1-38.7000114.8V56 T58 D64 L65 I69V56-F60 HydrophobicContact CB-CE2 4.38Å; V56-F60 HydrophobicContact CG1-CD2 3.4Å; V56-F60 VanDerWaalsContact CG1-CD2 3.4Å; V56-F60 HydrophobicContact CG1-CE2 3.03Å; V56-F60 HydrophobicContact CG1-CZ 3.94Å; V56-F60 WeakPolarHBondContact O-CB 3.14Å; V56-F60 WeakPolarHBondContact O-CD2 3.41Å; V56-F60 WeakPolarHBondContact O-CG 3.48Å; V56-F60 PolarHBondContact O-N 3.41Å; T58-F60 VanDerWaalsContact C-N 3.32Å; T58-F60 PolarHBondContact O-N 3.47Å; F60-D64 PolarHBondContact O-N 3.46Å; F60-L65 HydrophobicContact CD1-CB 3.88Å; F60-L65 HydrophobicContact CD1-CD2 4.45Å; F60-L65 HydrophobicContact CE1-CD2 4.37Å; F60-L65 PolarHBondContact O-N 2.89Å; F60-I69 HydrophobicContact CB-CD1 4.31Å; F60-I69 HydrophobicContact CD1-CD1 3.08Å; F60-I69 HydrophobicContact CD2-CD1 3.57Å; F60-I69 HydrophobicContact CE1-CD1 3.02Å; F60-I69 HydrophobicContact CE1-CG1 4.19Å; F60-I69 HydrophobicContact CE2-CD1 3.44Å; F60-I69 VanDerWaalsContact CE2-CD1 3.44Å; F60-I69 HydrophobicContact CE2-CG1 4.48Å; F60-I69 HydrophobicContact CE2-CG2 4.49Å; F60-I69 HydrophobicContact CG-CD1 3.4Å; F60-I69 HydrophobicContact CZ-CD1 3.21Å; F60-I69 HydrophobicContact CZ-CG1 4.17Å
61R63.4Low64.1Low194 Ų194105 Ų10573%0.73253%0.528SS*.Hα-helixtrans-77-34.4171-84179.1168.7-172-2.8112Q57 T58 Y59Q57-R61 WeakPolarHBondContact O-CB 3.39Å; Q57-R61 VanDerWaalsContact O-CG 3.29Å; Q57-R61 WeakPolarHBondContact O-CG 3.39Å; Q57-R61 PolarHBondContact O-N 3.11Å; T58-R61 PolarHBondContact O-N 3.46Å; T58-R61 VanDerWaalsContact O-N 3.12Å; Y59-R61 VanDerWaalsContact C-N 3.32Å; Y59-R61 PolarHBondContact O-N 3.48Å
62E61.7Low64Low143 Ų143106.6 Ų106.667%0.66853%0.532SS*.Hα-helixtrans-69.7-36.5177-72.9177.6178.300112T58 Y59T58-E62 PolarHBondContact O-N 3.26Å; T58-E62 VanDerWaalsContact O-N 3.08Å; Y59-E62 PolarHBondContact O-N 3.29Å
63D61.4Low64.2Low104 Ų104107.5 Ų107.556%0.55653%0.531SS*.THydrogen-bonded Turntrans-94.94.6-177.1-67-37.7000115.1Y59 L65Y59-D63 PolarHBondContact O-N 2.93Å; D63-L65 HydrophobicContact CB-CB 4.22Å; D63-L65 HydrophobicContact CB-CD1 3.57Å; D63-L65 HydrophobicContact CB-CG 4.46Å; D63-L65 WeakPolarHBondContact O-CD1 3.4Å; D63-L65 PolarHBondContact O-N 3.27Å
64D60Low64.4Low146 Ų146102.2 Ų102.278%0.78152%0.518SS*.THydrogen-bonded Turntrans53.222.9-173.3-141.2-3.3000113.6F60 G66F60-D64 PolarHBondContact O-N 3.46Å; D64-G66 VanDerWaalsContact C-N 3.26Å; D64-G66 PolarHBondContact O-N 2.69Å
65L59Low64.7Low66 Ų66101 Ų10135%0.34651%0.514SS..THydrogen-bonded Turntrans-82-4.9-170.6-115.890.2000113.3F60 D63 E67 K68 I69F60-L65 HydrophobicContact CD1-CB 3.88Å; F60-L65 HydrophobicContact CD1-CD2 4.45Å; F60-L65 HydrophobicContact CE1-CD2 4.37Å; F60-L65 PolarHBondContact O-N 2.89Å; D63-L65 HydrophobicContact CB-CB 4.22Å; D63-L65 HydrophobicContact CB-CD1 3.57Å; D63-L65 HydrophobicContact CB-CG 4.46Å; D63-L65 WeakPolarHBondContact O-CD1 3.4Å; D63-L65 PolarHBondContact O-N 3.27Å; L65-E67 VanDerWaalsContact C-N 3.25Å; L65-E67 PolarHBondContact O-N 2.79Å; L65-K68 PolarHBondContact O-N 3.23Å; L65-I69 HydrophobicContact CB-CD1 3.88Å; L65-I69 HydrophobicContact CD2-CD1 4.25Å; L65-I69 WeakPolarHBondContact O-CD1 3.2Å; L65-I69 WeakPolarHBondContact O-CG1 3.38Å; L65-I69 PolarHBondContact O-N 2.83Å; L65-I69 VanDerWaalsContact O-N 3.11Å
66G59.2Low64.9Low43 Ų4398.5 Ų98.544%0.44351%0.507SS..Hα-helixtrans-54.9-38.4-175.600000113.5D64 A70D64-G66 VanDerWaalsContact C-N 3.26Å; D64-G66 PolarHBondContact O-N 2.69Å; G66-A70 PolarHBondContact O-N 3.41Å; G66-A70 VanDerWaalsContact O-N 3.14Å
67E60.6Low65.4Low168 Ų168100.2 Ų100.279%0.78551%0.513SS*.Hα-helixtrans-70.5-44-179.4-165.3170.9-160.800112L65 I69 A70 D71L65-E67 VanDerWaalsContact C-N 3.25Å; L65-E67 PolarHBondContact O-N 2.79Å; E67-I69 VanDerWaalsContact C-N 3.29Å; E67-I69 PolarHBondContact O-N 3.35Å; E67-A70 PolarHBondContact O-N 3.28Å; E67-D71 PolarHBondContact O-N 3.03Å
68K62.9Low66.1Low156 Ų156103.2 Ų103.268%0.67853%0.525SS*.Hα-helixtrans-63.9-34.7176.9-83.3178.2177.91710112.6L65 D71 V72L65-K68 PolarHBondContact O-N 3.23Å; K68-D71 PolarHBondContact O-N 2.89Å; K68-V72 VanDerWaalsContact O-CG2 3.29Å; K68-V72 WeakPolarHBondContact O-CG2 3.32Å; K68-V72 PolarHBondContact O-N 2.83Å
69I64.2Low66.6Low42 Ų42108 Ų10822%0.21554%0.535CS..Hα-helixtrans-76.4-37.2-177.8-68.4152.6000111.4F60 L65 E67 D71 V72 L73F60-I69 HydrophobicContact CB-CD1 4.31Å; F60-I69 HydrophobicContact CD1-CD1 3.08Å; F60-I69 HydrophobicContact CD2-CD1 3.57Å; F60-I69 HydrophobicContact CE1-CD1 3.02Å; F60-I69 HydrophobicContact CE1-CG1 4.19Å; F60-I69 HydrophobicContact CE2-CD1 3.44Å; F60-I69 VanDerWaalsContact CE2-CD1 3.44Å; F60-I69 HydrophobicContact CE2-CG1 4.48Å; F60-I69 HydrophobicContact CE2-CG2 4.49Å; F60-I69 HydrophobicContact CG-CD1 3.4Å; F60-I69 HydrophobicContact CZ-CD1 3.21Å; F60-I69 HydrophobicContact CZ-CG1 4.17Å; L65-I69 HydrophobicContact CB-CD1 3.88Å; L65-I69 HydrophobicContact CD2-CD1 4.25Å; L65-I69 WeakPolarHBondContact O-CD1 3.2Å; L65-I69 WeakPolarHBondContact O-CG1 3.38Å; L65-I69 PolarHBondContact O-N 2.83Å; L65-I69 VanDerWaalsContact O-N 3.11Å; E67-I69 VanDerWaalsContact C-N 3.29Å; E67-I69 PolarHBondContact O-N 3.35Å; I69-D71 PolarHBondContact O-N 2.98Å; I69-V72 PolarHBondContact O-N 3.43Å; I69-L73 HydrophobicContact CG2-CD1 3.74Å; I69-L73 VanDerWaalsContact O-CB 3.29Å; I69-L73 WeakPolarHBondContact O-CB 3.38Å; I69-L73 PolarHBondContact O-N 3.33Å
70A65.6Low67.4Low53 Ų53105.2 Ų105.244%0.43853%0.529SS..Hα-helixtrans-56.6-43.9170.100000110.2G66 E67 L73 V74G66-A70 PolarHBondContact O-N 3.41Å; G66-A70 VanDerWaalsContact O-N 3.14Å; E67-A70 PolarHBondContact O-N 3.28Å; A70-L73 WeakPolarHBondContact O-CB 3.48Å; A70-L73 PolarHBondContact O-N 3.1Å; A70-V74 VanDerWaalsContact O-CG2 3.25Å; A70-V74 WeakPolarHBondContact O-CG2 3.28Å; A70-V74 PolarHBondContact O-N 3.46Å
71D67.2Low68.2Low110 Ų110106.2 Ų106.259%0.58854%0.538SS*.Hα-helixtrans-66.8-43.1179.8-145.817.2000112.1E67 K68 I69 L73 V74 V75E67-D71 PolarHBondContact O-N 3.03Å; K68-D71 PolarHBondContact O-N 2.89Å; I69-D71 PolarHBondContact O-N 2.98Å; D71-L73 PolarHBondContact O-N 3.31Å; D71-V74 PolarHBondContact O-N 2.92Å; D71-V75 WeakPolarHBondContact O-CG2 3.47Å; D71-V75 PolarHBondContact O-N 2.94Å
72V70.5Confident69.1Low86 Ų86103.5 Ų103.552%0.52153%0.531SS..Hα-helixtrans-63-40.9173.8172.50000111.7K68 I69 V75 L76K68-V72 VanDerWaalsContact O-CG2 3.29Å; K68-V72 WeakPolarHBondContact O-CG2 3.32Å; K68-V72 PolarHBondContact O-N 2.83Å; I69-V72 PolarHBondContact O-N 3.43Å; V72-V75 PolarHBondContact O-N 3.42Å; V72-L76 HydrophobicContact CG1-CD1 3.81Å; V72-L76 WeakPolarHBondContact O-CB 3.41Å; V72-L76 PolarHBondContact O-N 3.28Å
73L71.7Confident69.9Low92 Ų92105.5 Ų105.548%0.48253%0.533SS..Hα-helixtrans-62.4-42.6174.9-96.3148.1000111.5I69 A70 D71 V75 L76 L77I69-L73 HydrophobicContact CG2-CD1 3.74Å; I69-L73 VanDerWaalsContact O-CB 3.29Å; I69-L73 WeakPolarHBondContact O-CB 3.38Å; I69-L73 PolarHBondContact O-N 3.33Å; A70-L73 WeakPolarHBondContact O-CB 3.48Å; A70-L73 PolarHBondContact O-N 3.1Å; D71-L73 PolarHBondContact O-N 3.31Å; L73-V75 VanDerWaalsContact C-N 3.33Å; L73-V75 PolarHBondContact O-N 3.42Å; L73-L76 PolarHBondContact O-N 3.46Å; L73-L77 WeakPolarHBondContact O-CB 3.32Å; L73-L77 WeakPolarHBondContact O-CG 3.27Å; L73-L77 PolarHBondContact O-N 2.96Å
74V73.6Confident70.7Confident64 Ų64105.6 Ų105.639%0.38853%0.533SS..Hα-helixtrans-61.6-43.5175.5168.70000110.4A70 D71 L77 K78A70-V74 VanDerWaalsContact O-CG2 3.25Å; A70-V74 WeakPolarHBondContact O-CG2 3.28Å; A70-V74 PolarHBondContact O-N 3.46Å; D71-V74 PolarHBondContact O-N 2.92Å; V74-L77 PolarHBondContact O-N 3.39Å; V74-K78 HydrophobicContact CG1-CD 4.33Å; V74-K78 WeakPolarHBondContact O-CB 3.29Å; V74-K78 WeakPolarHBondContact O-CG 3.44Å; V74-K78 PolarHBondContact O-N 3.22Å
75V75.2Confident71.7Confident72 Ų72104.2 Ų104.244%0.43652%0.522SS..Hα-helixtrans-64-41.9176.2173.50000111.5D71 V72 L73 K78 R79D71-V75 WeakPolarHBondContact O-CG2 3.47Å; D71-V75 PolarHBondContact O-N 2.94Å; V72-V75 PolarHBondContact O-N 3.42Å; L73-V75 VanDerWaalsContact C-N 3.33Å; L73-V75 PolarHBondContact O-N 3.42Å; V75-K78 PolarHBondContact O-N 2.86Å; V75-R79 PolarHBondContact O-N 3.4Å
76L71.4Confident72.5Confident91 Ų91105.7 Ų105.748%0.47653%0.53SS..Hα-helixtrans-64.2-45.3176.2-85156.2000111.8V72 L73 K78 R79 L80V72-L76 HydrophobicContact CG1-CD1 3.81Å; V72-L76 WeakPolarHBondContact O-CB 3.41Å; V72-L76 PolarHBondContact O-N 3.28Å; L73-L76 PolarHBondContact O-N 3.46Å; L76-K78 PolarHBondContact O-N 2.99Å; L76-R79 PolarHBondContact O-N 2.94Å; L76-L80 WeakPolarHBondContact O-CB 3.3Å; L76-L80 WeakPolarHBondContact O-CG 3.4Å; L76-L80 PolarHBondContact O-N 3.28Å
77L75.4Confident73.1Confident95 Ų95107.6 Ų107.650%0.49754%0.536SS..Hα-helixtrans-61-43.6176-78.8167.2000111.4L73 V74 R79 L80 N81L73-L77 WeakPolarHBondContact O-CB 3.32Å; L73-L77 WeakPolarHBondContact O-CG 3.27Å; L73-L77 PolarHBondContact O-N 2.96Å; V74-L77 PolarHBondContact O-N 3.39Å; L77-R79 VanDerWaalsContact C-N 3.34Å; L77-R79 PolarHBondContact O-N 3.48Å; L77-L80 PolarHBondContact O-N 3.44Å; L77-N81 WeakPolarHBondContact O-CB 3.41Å; L77-N81 PolarHBondContact O-N 2.93Å
78K78.6Confident73.6Confident149 Ų149104.7 Ų104.765%0.64853%0.525SS*.Hα-helixtrans-59.2-43174.3-77.7178179.6176.50112V74 V75 L76 K82V74-K78 HydrophobicContact CG1-CD 4.33Å; V74-K78 WeakPolarHBondContact O-CB 3.29Å; V74-K78 WeakPolarHBondContact O-CG 3.44Å; V74-K78 PolarHBondContact O-N 3.22Å; V75-K78 PolarHBondContact O-N 2.86Å; L76-K78 PolarHBondContact O-N 2.99Å; K78-K82 WeakPolarHBondContact O-CB 3.5Å; K78-K82 PolarHBondContact O-N 3.48Å
79R78.9Confident74.1Confident177 Ų177104.4 Ų104.467%0.66852%0.524SS*.Hα-helixtrans-65.9-41175.7-77.4-173.6-164.8-169.84.7112.4V75 L76 L77 K82 R83V75-R79 PolarHBondContact O-N 3.4Å; L76-R79 PolarHBondContact O-N 2.94Å; L77-R79 VanDerWaalsContact C-N 3.34Å; L77-R79 PolarHBondContact O-N 3.48Å; R79-K82 PolarHBondContact O-N 3.35Å; R79-R83 WeakPolarHBondContact O-CG 3.32Å; R79-R83 PolarHBondContact O-N 2.94Å
80L73Confident74.1Confident87 Ų87106.3 Ų106.346%0.45554%0.541SS..Hα-helixtrans-65.5-46.7178.6-76.2167.3000111.3L76 L77 K82 R83 L84L76-L80 WeakPolarHBondContact O-CB 3.3Å; L76-L80 WeakPolarHBondContact O-CG 3.4Å; L76-L80 PolarHBondContact O-N 3.28Å; L77-L80 PolarHBondContact O-N 3.44Å; L80-K82 VanDerWaalsContact C-N 3.32Å; L80-K82 PolarHBondContact O-N 3.28Å; L80-R83 WeakPolarHBondContact O-CB 3.43Å; L80-R83 PolarHBondContact O-N 3.19Å; L80-R83 VanDerWaalsContact O-N 3.08Å; L80-L84 PolarHBondContact O-N 3.26Å
81N79.6Confident73.8Confident93 Ų93107.1 Ų107.150%0.49754%0.543SS..Hα-helixtrans-58.2-44.8174.6-80.5-4.6000111.3L77 R83 L84 E85L77-N81 WeakPolarHBondContact O-CB 3.41Å; L77-N81 PolarHBondContact O-N 2.93Å; N81-R83 VanDerWaalsContact C-N 3.27Å; N81-R83 PolarHBondContact O-N 2.98Å; N81-L84 PolarHBondContact O-N 2.91Å; N81-L84 VanDerWaalsContact O-N 3.13Å; N81-E85 WeakPolarHBondContact O-CB 3.2Å; N81-E85 WeakPolarHBondContact O-CG 3.22Å; N81-E85 PolarHBondContact O-N 2.83Å
82K81.1Confident73.4Confident136 Ų136108.3 Ų108.359%0.59155%0.55SS*.Hα-helixtrans-59.7-36.9175.9-170.4174-176.31760112.8K78 R79 L80 N86K78-K82 WeakPolarHBondContact O-CB 3.5Å; K78-K82 PolarHBondContact O-N 3.48Å; R79-K82 PolarHBondContact O-N 3.35Å; L80-K82 VanDerWaalsContact C-N 3.32Å; L80-K82 PolarHBondContact O-N 3.28Å; K82-N86 WeakPolarHBondContact O-CB 3.18Å; K82-N86 PolarHBondContact O-N 2.78Å; K82-N86 VanDerWaalsContact O-N 3.08Å; K82-N86 PolarHBondContact O-OD1 3.28Å
83R79.3Confident72.5Confident186 Ų186111.7 Ų111.770%0.70256%0.564SS**Hα-helixtrans-70-40.6174.9-73-178.471.3-1722.1112.1R79 L80 N81 N86 C87R79-R83 WeakPolarHBondContact O-CG 3.32Å; R79-R83 PolarHBondContact O-N 2.94Å; L80-R83 WeakPolarHBondContact O-CB 3.43Å; L80-R83 PolarHBondContact O-N 3.19Å; L80-R83 VanDerWaalsContact O-N 3.08Å; N81-R83 VanDerWaalsContact C-N 3.27Å; N81-R83 PolarHBondContact O-N 2.98Å; R83-N86 PolarHBondContact O-N 3.5Å; R83-C87 WeakPolarHBondContact O-CB 3.25Å; R83-C87 PolarHBondContact O-N 2.98Å
84L77.8Confident71.1Confident106 Ų106119 Ų11956%0.55560%0.596SS**Hα-helixtrans-66.1-43.1176.8-73.1172000111.5L80 N81 N86 C87 L88L80-L84 PolarHBondContact O-N 3.26Å; N81-L84 PolarHBondContact O-N 2.91Å; N81-L84 VanDerWaalsContact O-N 3.13Å; L84-N86 VanDerWaalsContact C-N 3.34Å; L84-N86 PolarHBondContact O-N 3.44Å; L84-C87 PolarHBondContact O-N 3.48Å; L84-L88 WeakPolarHBondContact O-CB 3.29Å; L84-L88 WeakPolarHBondContact O-CG 3.19Å; L84-L88 PolarHBondContact O-N 3.44Å
85E80.5Confident70.9Confident116 Ų116121.8 Ų121.854%0.54261%0.606SS.*Hα-helixtrans-60.5-43173.8-73.4178.1156.200111.7N81 L88 K89N81-E85 WeakPolarHBondContact O-CB 3.2Å; N81-E85 WeakPolarHBondContact O-CG 3.22Å; N81-E85 PolarHBondContact O-N 2.83Å; E85-L88 PolarHBondContact O-N 3.45Å; E85-K89 WeakPolarHBondContact O-CB 3.35Å; E85-K89 WeakPolarHBondContact O-CG 3.35Å; E85-K89 PolarHBondContact O-N 2.9Å
86N77.1Confident70.7Confident97 Ų97124.4 Ų124.452%0.51962%0.615SS.*Hα-helixtrans-64.6-39.2175.2-75.6-1.6000112.1K82 R83 L84 S90K82-N86 WeakPolarHBondContact O-CB 3.18Å; K82-N86 PolarHBondContact O-N 2.78Å; K82-N86 VanDerWaalsContact O-N 3.08Å; K82-N86 PolarHBondContact O-OD1 3.28Å; R83-N86 PolarHBondContact O-N 3.5Å; L84-N86 VanDerWaalsContact C-N 3.34Å; L84-N86 PolarHBondContact O-N 3.44Å; N86-S90 VanDerWaalsContact O-CB 3.3Å; N86-S90 WeakPolarHBondContact O-CB 3.45Å; N86-S90 PolarHBondContact O-N 3.03Å
87C70.7Confident70.7Confident84 Ų84126.2 Ų126.257%0.56862%0.623SS**Hα-helixtrans-67.5-40.8176.7-163.40000111.8R83 L84 S90 S91R83-C87 WeakPolarHBondContact O-CB 3.25Å; R83-C87 PolarHBondContact O-N 2.98Å; L84-C87 PolarHBondContact O-N 3.48Å; C87-S90 WeakPolarHBondContact O-CB 3.21Å; C87-S90 PolarHBondContact O-N 3.25Å; C87-S91 PolarHBondContact O-N 2.93Å; C87-S91 PolarHBondContact O-OG 3.44Å
88L71.9Confident70.4Confident107 Ų107128.1 Ų128.156%0.5663%0.63SS**Hα-helixtrans-69.6-36.1177.3-76.9168.2000112.4L84 E85 S91 N92L84-L88 WeakPolarHBondContact O-CB 3.29Å; L84-L88 WeakPolarHBondContact O-CG 3.19Å; L84-L88 PolarHBondContact O-N 3.44Å; E85-L88 PolarHBondContact O-N 3.45Å; L88-S91 PolarHBondContact O-N 2.95Å; L88-S91 PolarHBondContact O-OG 2.86Å; L88-S91 VanDerWaalsContact O-OG 3.1Å; L88-N92 PolarHBondContact O-N 2.97Å; L88-N92 PolarHBondContact O-ND2 2.78Å
89K72.6Confident69.9Low150 Ų150126.8 Ų126.865%0.65263%0.629SS**Hα-helixtrans-67.7-38.7171.6-78.2-178.6178.8-179.80111.7E85 S91 N92E85-K89 WeakPolarHBondContact O-CB 3.35Å; E85-K89 WeakPolarHBondContact O-CG 3.35Å; E85-K89 PolarHBondContact O-N 2.9Å; K89-S91 VanDerWaalsContact C-N 3.28Å; K89-S91 PolarHBondContact O-N 3.12Å; K89-N92 PolarHBondContact O-N 3.43Å
90S64.2Low69.3Low81 Ų81123.4 Ų123.457%0.56663%0.626SS**Hα-helixtrans-63.5-32.9174.2179.40000112.6N86 C87N86-S90 VanDerWaalsContact O-CB 3.3Å; N86-S90 WeakPolarHBondContact O-CB 3.45Å; N86-S90 PolarHBondContact O-N 3.03Å; C87-S90 WeakPolarHBondContact O-CB 3.21Å; C87-S90 PolarHBondContact O-N 3.25Å
91S59Low69Low71 Ų71126 Ų12650%0.49764%0.638SS.*THydrogen-bonded Turntrans-88.5-5.1-178.271.10000114.7C87 L88 K89C87-S91 PolarHBondContact O-N 2.93Å; C87-S91 PolarHBondContact O-OG 3.44Å; L88-S91 PolarHBondContact O-N 2.95Å; L88-S91 PolarHBondContact O-OG 2.86Å; L88-S91 VanDerWaalsContact O-OG 3.1Å; K89-S91 VanDerWaalsContact C-N 3.28Å; K89-S91 PolarHBondContact O-N 3.12Å
92N58.4Low68.2Low135 Ų135128.5 Ų128.572%0.72265%0.649SS**THydrogen-bonded Turntrans-101.210.5175.4-83.3-83.8000112.6L88 K89L88-N92 PolarHBondContact O-N 2.97Å; L88-N92 PolarHBondContact O-ND2 2.78Å; K89-N92 PolarHBondContact O-N 3.43Å
93L53.5Low67.2Low156 Ų156127.9 Ų127.982%0.81765%0.654SS**  trans-118.613.2-176.9-116.9146.5000113.1
94E40.9Very low66Low246 Ų246122.6 Ų122.6100%1.1565%0.65SS**  trans-1160167.9-73.5-175.6109.100110.9

Retrieved 94 of 94 residues in 97.7 ms (Link to these results)