A0A077YWP0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YWP0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 167 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
1M63.5Low82.7Confident232 Ų232128.2 Ų128.2100%1.14365%0.65SS**  00.70-75.7-163.5153.900114.8
2Y76.5Confident83.1Confident205 Ų205119.8 Ų119.880%0.80462%0.619SS**  trans-95.2-5.6-178.7-57.7-71.8000115.5P6Y2-P6 WeakPolarHBondContact O-CD 3.31Å
3L78.5Confident83.3Confident155 Ų155122.5 Ų122.581%0.81262%0.618SS**SBendtrans-70.1-35-175.5-100.278000114P6L3-P6 WeakPolarHBondContact O-CD 3.43Å
4C79.6Confident83.7Confident97 Ų97120.1 Ų120.166%0.65561%0.607SS**SBendtrans-84.4-19.2-176.7-64.10000113.5I7 S8C4-I7 PolarHBondContact O-N 3.43Å; C4-S8 WeakPolarHBondContact O-CB 3.38Å; C4-S8 PolarHBondContact O-N 3.07Å; C4-S8 PolarHBondContact O-OG 3.24Å; C4-S8 VanDerWaalsContact O-OG 3.07Å
5Y83.1Confident83.8Confident154 Ų154117.9 Ų117.960%0.60460%0.597SS**Hα-helixtrans-55.9-48.1-177.5-175.9-100.5000114.9I7 S8 F9Y5-I7 PolarHBondContact O-N 2.88Å; Y5-S8 PolarHBondContact O-N 3.27Å; Y5-S8 PolarHBondContact O-OG 3.08Å; Y5-F9 WeakPolarHBondContact O-CB 3.37Å; Y5-F9 PolarHBondContact O-N 3.4Å; Y5-F9 VanDerWaalsContact O-N 3.08Å
6P88.7Confident83.9Confident84 Ų84117.1 Ų117.155%0.54559%0.594SS.*Hα-helixtrans-67.7-22.4-177.426.7-35.6000113.4Y2 L3 P10Y2-P6 WeakPolarHBondContact O-CD 3.31Å; L3-P6 WeakPolarHBondContact O-CD 3.43Å; P6-P10 WeakPolarHBondContact O-CD 3.36Å; P6-P10 WeakPolarHBondContact O-CG 3.4Å
7I86Confident83.7Confident126 Ų126115.6 Ų115.665%0.64659%0.593SS**Hα-helixtrans-91.4-40.4178.8-65.3165000110.6C4 Y5 P10C4-I7 PolarHBondContact O-N 3.43Å; Y5-I7 PolarHBondContact O-N 2.88Å; I7-P10 VanDerWaalsContact O-CD 3.31Å; I7-P10 WeakPolarHBondContact O-CD 3.08Å; I7-P10 WeakPolarHBondContact O-CG 3.33Å
8S88.1Confident83.8Confident62 Ų62116.7 Ų116.743%0.43460%0.598SS.*Hα-helixtrans-73.3-31.6-176.966.60000112.8C4 Y5 L11 G12C4-S8 WeakPolarHBondContact O-CB 3.38Å; C4-S8 PolarHBondContact O-N 3.07Å; C4-S8 PolarHBondContact O-OG 3.24Å; C4-S8 VanDerWaalsContact O-OG 3.07Å; Y5-S8 PolarHBondContact O-N 3.27Å; Y5-S8 PolarHBondContact O-OG 3.08Å; S8-L11 PolarHBondContact O-N 3.45Å; S8-G12 PolarHBondContact O-N 3.35Å
9F87.2Confident83.4Confident129 Ų129117.1 Ų117.157%0.56660%0.6SS**Hα-helixtrans-61.1-52.6179.1-174.3-96.9000113.6Y5 L11 G12 Y13Y5-F9 WeakPolarHBondContact O-CB 3.37Å; Y5-F9 PolarHBondContact O-N 3.4Å; Y5-F9 VanDerWaalsContact O-N 3.08Å; F9-L11 VanDerWaalsContact C-N 3.31Å; F9-L11 PolarHBondContact O-N 3.32Å; F9-G12 PolarHBondContact O-N 3.24Å; F9-Y13 PolarHBondContact O-N 2.91Å
10P91.2Very high82.7Confident59 Ų59112.9 Ų112.938%0.38359%0.587SS.*Hα-helixtrans-65.8-35.5177.325.3-34.1000111.9P6 I7 Y13 I14P6-P10 WeakPolarHBondContact O-CD 3.36Å; P6-P10 WeakPolarHBondContact O-CG 3.4Å; I7-P10 VanDerWaalsContact O-CD 3.31Å; I7-P10 WeakPolarHBondContact O-CD 3.08Å; I7-P10 WeakPolarHBondContact O-CG 3.33Å; P10-Y13 PolarHBondContact O-N 2.96Å; P10-I14 WeakPolarHBondContact O-CD1 3.3Å; P10-I14 VanDerWaalsContact O-CG1 3.25Å; P10-I14 WeakPolarHBondContact O-CG1 3.25Å; P10-I14 PolarHBondContact O-N 3.37Å
11L87.8Confident82Confident107 Ų107116.6 Ų116.656%0.5660%0.598SS**Hα-helixtrans-63.9-44.4177.6-154.474.4000111.2S8 F9 I14 L15S8-L11 PolarHBondContact O-N 3.45Å; F9-L11 VanDerWaalsContact C-N 3.31Å; F9-L11 PolarHBondContact O-N 3.32Å; L11-I14 PolarHBondContact O-N 2.86Å; L11-L15 HydrophobicContact CG-CD1 4.37Å; L11-L15 WeakPolarHBondContact O-CB 3.48Å; L11-L15 VanDerWaalsContact O-CD1 3.3Å; L11-L15 WeakPolarHBondContact O-CD1 3.39Å; L11-L15 WeakPolarHBondContact O-CG 3.26Å; L11-L15 PolarHBondContact O-N 3.44Å
12G87.6Confident81.9Confident27 Ų27112.9 Ų112.928%0.27858%0.583SS.*Hα-helixtrans-62.8-41.4174.600000112.7S8 F9 I14 L15 D16S8-G12 PolarHBondContact O-N 3.35Å; F9-G12 PolarHBondContact O-N 3.24Å; G12-I14 VanDerWaalsContact C-N 3.34Å; G12-I14 PolarHBondContact O-N 3.43Å; G12-L15 WeakPolarHBondContact O-CB 3.37Å; G12-L15 PolarHBondContact O-N 3.47Å; G12-D16 PolarHBondContact O-N 2.79Å
13Y85.5Confident81.1Confident155 Ų155107.6 Ų107.661%0.60857%0.572SS**Hα-helixtrans-62.3-42174.9-174.7-96.3000112.1F9 P10 D16 V17F9-Y13 PolarHBondContact O-N 2.91Å; P10-Y13 PolarHBondContact O-N 2.96Å; Y13-D16 PolarHBondContact O-N 2.97Å; Y13-V17 HydrophobicContact CD1-CG2 4.04Å; Y13-V17 HydrophobicContact CE1-CG2 3.7Å; Y13-V17 WeakPolarHBondContact O-CB 3.42Å; Y13-V17 WeakPolarHBondContact O-CG2 3.2Å; Y13-V17 PolarHBondContact O-N 2.88Å
14I88.7Confident80.3Confident89 Ų89103.3 Ų103.346%0.45657%0.565SS.*Hα-helixtrans-64.3-42.6175.5-69.2159.7000110.6P10 L11 G12 V17 I18P10-I14 WeakPolarHBondContact O-CD1 3.3Å; P10-I14 VanDerWaalsContact O-CG1 3.25Å; P10-I14 WeakPolarHBondContact O-CG1 3.25Å; P10-I14 PolarHBondContact O-N 3.37Å; L11-I14 PolarHBondContact O-N 2.86Å; G12-I14 VanDerWaalsContact C-N 3.34Å; G12-I14 PolarHBondContact O-N 3.43Å; I14-V17 PolarHBondContact O-N 3.26Å; I14-I18 HydrophobicContact CG2-CD1 3.62Å; I14-I18 HydrophobicContact CG2-CG1 4.33Å; I14-I18 WeakPolarHBondContact O-CB 3.24Å; I14-I18 VanDerWaalsContact O-CG1 3.26Å; I14-I18 WeakPolarHBondContact O-CG1 3.22Å; I14-I18 PolarHBondContact O-N 3.43Å
15L85.6Confident79.6Confident88 Ų88104.8 Ų104.846%0.46156%0.562SS.*Hα-helixtrans-59.5-47.2174.8-79.7150.9000111.4L11 G12 V17 I18 I19L11-L15 HydrophobicContact CG-CD1 4.37Å; L11-L15 WeakPolarHBondContact O-CB 3.48Å; L11-L15 VanDerWaalsContact O-CD1 3.3Å; L11-L15 WeakPolarHBondContact O-CD1 3.39Å; L11-L15 WeakPolarHBondContact O-CG 3.26Å; L11-L15 PolarHBondContact O-N 3.44Å; G12-L15 WeakPolarHBondContact O-CB 3.37Å; G12-L15 PolarHBondContact O-N 3.47Å; L15-V17 VanDerWaalsContact C-N 3.32Å; L15-V17 PolarHBondContact O-N 3.32Å; L15-I18 PolarHBondContact O-N 2.93Å; L15-I19 HydrophobicContact CB-CD1 4.38Å; L15-I19 HydrophobicContact CD2-CD1 4.16Å; L15-I19 VanDerWaalsContact O-CB 3.22Å; L15-I19 WeakPolarHBondContact O-CB 3.48Å; L15-I19 VanDerWaalsContact O-CG1 3.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.44Å; L15-I19 PolarHBondContact O-N 2.84Å
16D84.2Confident79.1Confident104 Ų104105.4 Ų105.456%0.55658%0.575SS**Hα-helixtrans-64.7-35.7177.7-76.5-5.1000112.4G12 Y13 G20 K21G12-D16 PolarHBondContact O-N 2.79Å; Y13-D16 PolarHBondContact O-N 2.97Å; D16-G20 CarbonylContact O-C 3.58Å; D16-G20 VanDerWaalsContact O-C 3.3Å; D16-G20 VanDerWaalsContact O-CA 3.23Å; D16-G20 WeakPolarHBondContact O-CA 3.23Å; D16-G20 PolarHBondContact O-N 3.46Å; D16-K21 PolarHBondContact O-N 2.93Å
17V81.9Confident78.4Confident93 Ų93107.1 Ų107.156%0.56457%0.571SS**Hα-helixtrans-69.9-39.5175.6170.20000111.3Y13 I14 L15Y13-V17 HydrophobicContact CD1-CG2 4.04Å; Y13-V17 HydrophobicContact CE1-CG2 3.7Å; Y13-V17 WeakPolarHBondContact O-CB 3.42Å; Y13-V17 WeakPolarHBondContact O-CG2 3.2Å; Y13-V17 PolarHBondContact O-N 2.88Å; I14-V17 PolarHBondContact O-N 3.26Å; L15-V17 VanDerWaalsContact C-N 3.32Å; L15-V17 PolarHBondContact O-N 3.32Å
18I84Confident78.1Confident134 Ų134109 Ų10969%0.68757%0.57SS**Hα-helixtrans-74.4-46.9179.9-72.5171.3000111.6I14 L15 G20I14-I18 HydrophobicContact CG2-CD1 3.62Å; I14-I18 HydrophobicContact CG2-CG1 4.33Å; I14-I18 WeakPolarHBondContact O-CB 3.24Å; I14-I18 VanDerWaalsContact O-CG1 3.26Å; I14-I18 WeakPolarHBondContact O-CG1 3.22Å; I14-I18 PolarHBondContact O-N 3.43Å; L15-I18 PolarHBondContact O-N 2.93Å; I18-G20 PolarHBondContact O-N 3.4Å
19I77.4Confident77.8Confident125 Ų125112.1 Ų112.164%0.64157%0.573SS**Hα-helixtrans-71.1-27179.9-65.4168000109.8L15L15-I19 HydrophobicContact CB-CD1 4.38Å; L15-I19 HydrophobicContact CD2-CD1 4.16Å; L15-I19 VanDerWaalsContact O-CB 3.22Å; L15-I19 WeakPolarHBondContact O-CB 3.48Å; L15-I19 VanDerWaalsContact O-CG1 3.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.44Å; L15-I19 PolarHBondContact O-N 2.84Å
20G68.9Low77.5Confident32 Ų32111.4 Ų111.433%0.3357%0.571SS.*  trans83.2134.7-174.100000110.1D16 I18 D22D16-G20 CarbonylContact O-C 3.58Å; D16-G20 VanDerWaalsContact O-C 3.3Å; D16-G20 VanDerWaalsContact O-CA 3.23Å; D16-G20 WeakPolarHBondContact O-CA 3.23Å; D16-G20 PolarHBondContact O-N 3.46Å; I18-G20 PolarHBondContact O-N 3.4Å; G20-D22 PolarHBondContact O-N 3.05Å
21K67.5Low77.2Confident192 Ų192111.9 Ų111.984%0.83557%0.568SS**SBendtrans-50117.1170.6-69.2175.3178.3175.10108D16 V23D16-K21 PolarHBondContact O-N 2.93Å; K21-V23 VanDerWaalsContact C-N 3.31Å; K21-V23 PolarHBondContact O-N 2.83Å
22D61.1Low77.1Confident154 Ų154109.5 Ų109.582%0.82456%0.556SS**  trans-19.490.6-179.6-71.9-49000111.5G20 G24G20-D22 PolarHBondContact O-N 3.05Å; D22-G24 PolarHBondContact O-N 2.75Å
23V59.9Low77Confident94 Ų94112.9 Ų112.957%0.5756%0.563SS**  trans-63.1102.6162.6-86.10000101.8K21 H25K21-V23 VanDerWaalsContact C-N 3.31Å; K21-V23 PolarHBondContact O-N 2.83Å; V23-H25 VanDerWaalsContact CG2-CE1 3.45Å; V23-H25 WeakPolarHBondContact CG2-CE1 3.45Å; V23-H25 VanDerWaalsContact O-CA 3.3Å; V23-H25 WeakPolarHBondContact O-CA 3.23Å; V23-H25 PolarHBondContact O-CD2 2.81Å; V23-H25 VanDerWaalsContact O-CG 3.23Å; V23-H25 PolarHBondContact O-N 2.77Å
24G62.3Low76.9Confident64 Ų64111 Ų11166%0.6656%0.56SS**  trans-48.2103174.300000105.6D22 L26D22-G24 PolarHBondContact O-N 2.75Å; G24-L26 PolarHBondContact O-N 3.13Å
25H65.1Low76.7Confident129 Ų129109.5 Ų109.560%0.59755%0.552SS**  trans-74.988-161.4-80.5-80.4000105.6V23 Y27V23-H25 VanDerWaalsContact CG2-CE1 3.45Å; V23-H25 WeakPolarHBondContact CG2-CE1 3.45Å; V23-H25 VanDerWaalsContact O-CA 3.3Å; V23-H25 WeakPolarHBondContact O-CA 3.23Å; V23-H25 PolarHBondContact O-CD2 2.81Å; V23-H25 VanDerWaalsContact O-CG 3.23Å; V23-H25 PolarHBondContact O-N 2.77Å; H25-Y27 HydrophobicContact CB-CD2 4.3Å; H25-Y27 HydrophobicContact CB-CE2 3.92Å; H25-Y27 VanDerWaalsContact O-CD2 3.23Å; H25-Y27 WeakPolarHBondContact O-CD2 3.3Å; H25-Y27 PolarHBondContact O-N 2.94Å
26L73Confident76.6Confident166 Ų166106.2 Ų106.287%0.86954%0.535SS*.  trans-7082.3170-68.6171.1000105.6G24 R28G24-L26 PolarHBondContact O-N 3.13Å; L26-R28 PolarHBondContact O-N 2.65Å; L26-R28 VanDerWaalsContact O-N 3.16Å
27Y74Confident76.3Confident121 Ų121103.8 Ų103.848%0.47553%0.526SS..  trans-54.4123.9174.9-72.8-80.5000108.3H25 E31 L35H25-Y27 HydrophobicContact CB-CD2 4.3Å; H25-Y27 HydrophobicContact CB-CE2 3.92Å; H25-Y27 VanDerWaalsContact O-CD2 3.23Å; H25-Y27 WeakPolarHBondContact O-CD2 3.3Å; H25-Y27 PolarHBondContact O-N 2.94Å; Y27-E31 WeakPolarHBondContact CA-OE2 2.98Å; Y27-E31 HydrophobicContact CD1-CB 4.05Å; Y27-L35 HydrophobicContact CE1-CD2 4.36Å
28R79.1Confident76.2Confident165 Ų165109.3 Ų109.362%0.62354%0.537SS*.  trans-60.6153.5169.7-85.8179.2-75.7-118-4.7109L26 Q30 E31 L32L26-R28 PolarHBondContact O-N 2.65Å; L26-R28 VanDerWaalsContact O-N 3.16Å; R28-Q30 PolarHBondContact O-N 2.69Å; R28-E31 HydrophobicContact CB-CB 4.5Å; R28-E31 HydrophobicContact CB-CG 4.18Å; R28-E31 IonicContact CZ-OE1 2.63Å; R28-E31 VanDerWaalsContact CZ-OE1 3.28Å; R28-E31 PolarHBondContact N-OE2 3.26Å; R28-E31 IonicContact NE-OE1 2.85Å; R28-E31 PolarHBondContact NE-OE1 3.49Å; R28-E31 IonicContact NH2-OE1 2.94Å; R28-E31 PolarHBondContact NH2-OE1 2.66Å; R28-E31 CarbonylContact O-C 3.3Å; R28-E31 WeakPolarHBondContact O-CA 3.41Å; R28-E31 WeakPolarHBondContact O-CB 3.19Å; R28-E31 PolarHBondContact O-N 3.25Å; R28-L32 PolarHBondContact O-N 2.85Å
29R81.6Confident75.8Confident128 Ų128108.4 Ų108.448%0.48353%0.529SS..Hα-helixtrans-53.4-31.3176.7-62.7179.4-175.5164.9-1.8113.3K33 S82R29-K33 VanDerWaalsContact O-CB 3.28Å; R29-K33 WeakPolarHBondContact O-CB 3.3Å; R29-K33 PolarHBondContact O-N 2.9Å; R29-K33 VanDerWaalsContact O-N 3.09Å; R29-S82 PolarHBondContact NH1-O 3.42Å; R29-S82 PolarHBondContact NH1-OG 2.86Å; R29-S82 PolarHBondContact NH2-OG 2.85Å
30Q81.7Confident75.2Confident113 Ų113103.1 Ų103.153%0.52851%0.506SS..Hα-helixtrans-66.4-52.4171.7-98147.8-200111.5R28 L32 K33 E34 K83R28-Q30 PolarHBondContact O-N 2.69Å; Q30-L32 VanDerWaalsContact C-N 3.33Å; Q30-L32 PolarHBondContact O-N 3.11Å; Q30-K33 WeakPolarHBondContact O-CB 3.48Å; Q30-K33 PolarHBondContact O-N 2.8Å; Q30-K33 VanDerWaalsContact O-N 3.17Å; Q30-E34 WeakPolarHBondContact O-CG 3.46Å; Q30-E34 PolarHBondContact O-N 3.03Å; Q30-K83 VanDerWaalsContact CG-NZ 3.28Å; Q30-K83 VanDerWaalsContact NE2-NZ 3.2Å
31E84.5Confident74.9Confident69 Ų69103.6 Ų103.632%0.32250%0.503SS..Hα-helixtrans-60.4-42.5179.1-63.5162.2-168.400111.1Y27 R28 E34 L35Y27-E31 WeakPolarHBondContact CA-OE2 2.98Å; Y27-E31 HydrophobicContact CD1-CB 4.05Å; R28-E31 HydrophobicContact CB-CB 4.5Å; R28-E31 HydrophobicContact CB-CG 4.18Å; R28-E31 IonicContact CZ-OE1 2.63Å; R28-E31 VanDerWaalsContact CZ-OE1 3.28Å; R28-E31 PolarHBondContact N-OE2 3.26Å; R28-E31 IonicContact NE-OE1 2.85Å; R28-E31 PolarHBondContact NE-OE1 3.49Å; R28-E31 IonicContact NH2-OE1 2.94Å; R28-E31 PolarHBondContact NH2-OE1 2.66Å; R28-E31 CarbonylContact O-C 3.3Å; R28-E31 WeakPolarHBondContact O-CA 3.41Å; R28-E31 WeakPolarHBondContact O-CB 3.19Å; R28-E31 PolarHBondContact O-N 3.25Å; E31-E34 PolarHBondContact O-N 2.82Å; E31-L35 VanDerWaalsContact O-CB 3.27Å; E31-L35 WeakPolarHBondContact O-CB 3.49Å; E31-L35 PolarHBondContact O-N 2.95Å
32L85.7Confident74.4Confident58 Ų58104 Ų10430%0.30450%0.499SS..Hα-helixtrans-64.5-41175.8-176.761.1000112R28 Q30 E34 L35 I36 L79R28-L32 PolarHBondContact O-N 2.85Å; Q30-L32 VanDerWaalsContact C-N 3.33Å; Q30-L32 PolarHBondContact O-N 3.11Å; L32-E34 VanDerWaalsContact C-N 3.31Å; L32-E34 PolarHBondContact O-N 3.16Å; L32-L35 HydrophobicContact CD1-CD2 4.45Å; L32-L35 PolarHBondContact O-N 3.45Å; L32-I36 HydrophobicContact CD1-CD1 3.85Å; L32-I36 HydrophobicContact CD1-CG1 4.09Å; L32-I36 HydrophobicContact CG-CD1 3.82Å; L32-I36 HydrophobicContact CG-CG1 4.43Å; L32-I36 WeakPolarHBondContact O-CB 3.33Å; L32-I36 WeakPolarHBondContact O-CG1 3.44Å; L32-I36 PolarHBondContact O-N 2.91Å; L32-L79 HydrophobicContact CD2-CD1 3.88Å; L32-L79 HydrophobicContact CD2-CD2 4.05Å; L32-L79 HydrophobicContact CG-CD1 3.93Å
33K85.6Confident74.2Confident97 Ų97107.8 Ų107.842%0.42250%0.502SS..Hα-helixtrans-61.5-41.5175.6-175.3-176179.1-177.90111.2R29 Q30 S37 R76R29-K33 VanDerWaalsContact O-CB 3.28Å; R29-K33 WeakPolarHBondContact O-CB 3.3Å; R29-K33 PolarHBondContact O-N 2.9Å; R29-K33 VanDerWaalsContact O-N 3.09Å; Q30-K33 WeakPolarHBondContact O-CB 3.48Å; Q30-K33 PolarHBondContact O-N 2.8Å; Q30-K33 VanDerWaalsContact O-N 3.17Å; K33-S37 VanDerWaalsContact O-CB 3.3Å; K33-S37 WeakPolarHBondContact O-CB 3.45Å; K33-S37 PolarHBondContact O-N 2.91Å; K33-R76 HydrophobicContact CG-CG 4.12Å
34E83.3Confident73.9Confident117 Ų117107.2 Ų107.255%0.54750%0.496SS..Hα-helixtrans-71.2-39.4176.8-72.3-178.9-162.100112.4Q30 E31 L32 S37 R38Q30-E34 WeakPolarHBondContact O-CG 3.46Å; Q30-E34 PolarHBondContact O-N 3.03Å; E31-E34 PolarHBondContact O-N 2.82Å; L32-E34 VanDerWaalsContact C-N 3.31Å; L32-E34 PolarHBondContact O-N 3.16Å; E34-S37 CarbonylContact O-C 3.56Å; E34-S37 WeakPolarHBondContact O-CA 3.22Å; E34-S37 VanDerWaalsContact O-CB 3.28Å; E34-S37 WeakPolarHBondContact O-CB 3.38Å; E34-S37 PolarHBondContact O-N 3.17Å; E34-R38 WeakPolarHBondContact O-CG 3.28Å; E34-R38 PolarHBondContact O-N 3.43Å
35L84.9Confident73.4Confident57 Ų57110.8 Ų110.830%0.29850%0.495SS..Hα-helixtrans-60.6-51.9176.3-172.973.9000110.2Y27 E31 L32 S37 R38 H39Y27-L35 HydrophobicContact CE1-CD2 4.36Å; E31-L35 VanDerWaalsContact O-CB 3.27Å; E31-L35 WeakPolarHBondContact O-CB 3.49Å; E31-L35 PolarHBondContact O-N 2.95Å; L32-L35 HydrophobicContact CD1-CD2 4.45Å; L32-L35 PolarHBondContact O-N 3.45Å; L35-S37 PolarHBondContact O-N 3.29Å; L35-R38 PolarHBondContact O-N 3.35Å; L35-R38 VanDerWaalsContact O-N 3.11Å; L35-H39 WeakPolarHBondContact CD1-CE1 3.44Å; L35-H39 WeakPolarHBondContact O-CB 3.3Å; L35-H39 PolarHBondContact O-N 2.77Å; L35-H39 PolarHBondContact O-ND1 2.92Å
36I82.5Confident72.8Confident19 Ų19112 Ų11210%0.09750%0.499CS..Hα-helixtrans-62.8-27.3174.9-64.7171.9000110.6L32 G40 L67 V72 I75 L79L32-I36 HydrophobicContact CD1-CD1 3.85Å; L32-I36 HydrophobicContact CD1-CG1 4.09Å; L32-I36 HydrophobicContact CG-CD1 3.82Å; L32-I36 HydrophobicContact CG-CG1 4.43Å; L32-I36 WeakPolarHBondContact O-CB 3.33Å; L32-I36 WeakPolarHBondContact O-CG1 3.44Å; L32-I36 PolarHBondContact O-N 2.91Å; I36-G40 VanDerWaalsContact O-CA 3.32Å; I36-G40 WeakPolarHBondContact O-CA 3.27Å; I36-G40 PolarHBondContact O-N 2.99Å; I36-L67 HydrophobicContact CG2-CD1 4.08Å; I36-V72 HydrophobicContact CG2-CB 4.32Å; I36-V72 HydrophobicContact CG2-CG1 4.08Å; I36-V72 HydrophobicContact CG2-CG2 4.01Å; I36-I75 HydrophobicContact CD1-CB 4.4Å; I36-I75 HydrophobicContact CD1-CG2 3.43Å; I36-I75 VanDerWaalsContact CD1-CG2 3.43Å; I36-L79 HydrophobicContact CD1-CD1 4Å
37S79Confident71.8Confident53 Ų53110.3 Ų110.337%0.37149%0.486SS..Hα-helixtrans-70.8-38.2174.2-175.80000113.9K33 E34 L35 R76K33-S37 VanDerWaalsContact O-CB 3.3Å; K33-S37 WeakPolarHBondContact O-CB 3.45Å; K33-S37 PolarHBondContact O-N 2.91Å; E34-S37 CarbonylContact O-C 3.56Å; E34-S37 WeakPolarHBondContact O-CA 3.22Å; E34-S37 VanDerWaalsContact O-CB 3.28Å; E34-S37 WeakPolarHBondContact O-CB 3.38Å; E34-S37 PolarHBondContact O-N 3.17Å; L35-S37 PolarHBondContact O-N 3.29Å; S37-R76 VanDerWaalsContact OG-CZ 3.25Å; S37-R76 PolarHBondContact OG-NH2 2.99Å
38R78.1Confident70.8Confident209 Ų209106.3 Ų106.379%0.78948%0.476SS*.Hα-helixtrans-79-33.5177.7-69.3179.9-179.7-131.43112.4E34 L35 G40E34-R38 WeakPolarHBondContact O-CG 3.28Å; E34-R38 PolarHBondContact O-N 3.43Å; L35-R38 PolarHBondContact O-N 3.35Å; L35-R38 VanDerWaalsContact O-N 3.11Å; R38-G40 VanDerWaalsContact C-N 3.26Å
39H75.6Confident69.7Low115 Ų115105 Ų10553%0.53248%0.481SS..SBendtrans-872.2174.3-65.178.7000112.8L35L35-H39 WeakPolarHBondContact CD1-CE1 3.44Å; L35-H39 WeakPolarHBondContact O-CB 3.3Å; L35-H39 PolarHBondContact O-N 2.77Å; L35-H39 PolarHBondContact O-ND1 2.92Å
40G65.8Low68.5Low14 Ų14106.8 Ų106.814%0.14449%0.492CS..SBendtrans-63.1163.3176.900000111I36 R38 R42I36-G40 VanDerWaalsContact O-CA 3.32Å; I36-G40 WeakPolarHBondContact O-CA 3.27Å; I36-G40 PolarHBondContact O-N 2.99Å; R38-G40 VanDerWaalsContact C-N 3.26Å; G40-R42 PolarHBondContact O-N 2.77Å; G40-R42 VanDerWaalsContact O-N 3.12Å
41P63.5Low67.2Low42 Ų42109 Ų10927%0.27350%0.503SS..PPolyproline II helixtrans-53.1129.5-172.429.9-39.8000108.2R43 L67 S69P41-R43 PolarHBondContact O-N 2.9Å; P41-L67 VanDerWaalsContact CA-O 3.29Å; P41-L67 WeakPolarHBondContact CA-O 3.4Å; P41-L67 WeakPolarHBondContact CB-O 3.32Å; P41-L67 WeakPolarHBondContact CD-O 3.1Å; P41-L67 VanDerWaalsContact N-O 3.13Å; P41-S69 VanDerWaalsContact CG-CA 3.43Å; P41-S69 VanDerWaalsContact CG-N 3.32Å
42R56.2Low65.6Low201 Ų201111.8 Ų111.876%0.75851%0.514SS*.PPolyproline II helixtrans-58.8143.3158.3-171.2-179.5-171.9128.5-1.5105.5G40 D44G40-R42 PolarHBondContact O-N 2.77Å; G40-R42 VanDerWaalsContact O-N 3.12Å; R42-D44 WeakPolarHBondContact CA-OD1 3.16Å; R42-D44 WeakPolarHBondContact CB-OD1 3.29Å; R42-D44 WeakPolarHBondContact CG-OD1 3.35Å; R42-D44 PolarHBondContact O-N 3.06Å
43R56.5Low64Low232 Ų232116.7 Ų116.788%0.87554%0.535SS*.THydrogen-bonded Turntrans-66.813.7-165.7-64.7170.160.283.7-0.7114.2P41 H45P41-R43 PolarHBondContact O-N 2.9Å; R43-H45 VanDerWaalsContact C-N 3.29Å; R43-H45 PolarHBondContact O-N 3.12Å
44D53Low62.2Low83 Ų83120.5 Ų120.544%0.44455%0.554SS.*THydrogen-bonded Turntrans-75.3-5-166.335.4-51.8000115.1R42 F46 Q47R42-D44 WeakPolarHBondContact CA-OD1 3.16Å; R42-D44 WeakPolarHBondContact CB-OD1 3.29Å; R42-D44 WeakPolarHBondContact CG-OD1 3.35Å; R42-D44 PolarHBondContact O-N 3.06Å; D44-F46 VanDerWaalsContact C-N 3.33Å; D44-F46 PolarHBondContact O-N 3.31Å; D44-Q47 WeakPolarHBondContact O-CB 3.47Å; D44-Q47 PolarHBondContact O-N 2.79Å; D44-Q47 VanDerWaalsContact O-N 3.15Å
45H52.2Low60.5Low139 Ų139119 Ų11964%0.64457%0.571SS**Hα-helixtrans-78.7-12.4174.1-121.4-81.3000115R43 Q47 S48R43-H45 VanDerWaalsContact C-N 3.29Å; R43-H45 PolarHBondContact O-N 3.12Å; H45-Q47 PolarHBondContact O-N 3.44Å; H45-S48 PolarHBondContact CE1-OG 2.82Å; H45-S48 PolarHBondContact ND1-OG 3.15Å
46F52.3Low58.5Low155 Ų155124 Ų12468%0.6859%0.59SS**Hα-helixtrans-70.4-21.5166.3-169.3-100.3000111.6D44 F50D44-F46 VanDerWaalsContact C-N 3.33Å; D44-F46 PolarHBondContact O-N 3.31Å; F46-F50 HydrophobicContact CE1-CE2 4.49Å; F46-F50 HydrophobicContact CZ-CE2 4.18Å
47Q53.3Low56.9Low130 Ų130131 Ų13161%0.60763%0.627SS**Hα-helixtrans-82.2-34.4177.3-160.773.343.600112.2D44 H45 L49 F50D44-Q47 WeakPolarHBondContact O-CB 3.47Å; D44-Q47 PolarHBondContact O-N 2.79Å; D44-Q47 VanDerWaalsContact O-N 3.15Å; H45-Q47 PolarHBondContact O-N 3.44Å; Q47-L49 PolarHBondContact O-N 2.76Å; Q47-F50 PolarHBondContact O-N 3.23Å
48S52.8Low55.5Low36 Ų36133 Ų13325%0.25264%0.637SS.*Hα-helixtrans-78.4-17.5-17664.70000114.3H45 F50 E51 K52H45-S48 PolarHBondContact CE1-OG 2.82Å; H45-S48 PolarHBondContact ND1-OG 3.15Å; S48-F50 VanDerWaalsContact C-N 3.3Å; S48-E51 PolarHBondContact O-N 2.98Å; S48-K52 VanDerWaalsContact O-CB 3.29Å; S48-K52 WeakPolarHBondContact O-CB 3.29Å; S48-K52 PolarHBondContact O-N 3.41Å
49L56Low54.2Low139 Ų139129.9 Ų129.973%0.72863%0.631SS**THydrogen-bonded Turntrans-73.8-19.9173.5-71.4177.9000113.5Q47Q47-L49 PolarHBondContact O-N 2.76Å
50F55.7Low53.1Low164 Ų164130.1 Ų130.172%0.71964%0.643SS**THydrogen-bonded Turntrans-90.7-7.5173.3-86.2-78.2000114.2F46 Q47 S48F46-F50 HydrophobicContact CE1-CE2 4.49Å; F46-F50 HydrophobicContact CZ-CE2 4.18Å; Q47-F50 PolarHBondContact O-N 3.23Å; S48-F50 VanDerWaalsContact C-N 3.3Å
51E54.8Low52.5Low160 Ų160134.3 Ų134.375%0.74867%0.666SS**THydrogen-bonded Turntrans-117.8-13.9176.5-80.7-175.1168.600114.7S48 E53S48-E51 PolarHBondContact O-N 2.98Å; E51-E53 VanDerWaalsContact C-N 3.28Å; E51-E53 PolarHBondContact O-N 3.45Å; E51-E53 VanDerWaalsContact O-N 3.11Å
52K51.2Low52Low128 Ų128140.6 Ų140.656%0.55769%0.692SS**  trans-95.164.9-177.8-149.9169.3-172.61760112.1S48 E54S48-K52 VanDerWaalsContact O-CB 3.29Å; S48-K52 WeakPolarHBondContact O-CB 3.29Å; S48-K52 PolarHBondContact O-N 3.41Å; K52-E54 PolarHBondContact O-N 3.47Å
53E51.4Low51.7Low160 Ų160140.2 Ų140.275%0.74870%0.696SS**  trans-47.7131.6156.8-64.9-104.7139.700109.6E51E51-E53 VanDerWaalsContact C-N 3.28Å; E51-E53 PolarHBondContact O-N 3.45Å; E51-E53 VanDerWaalsContact O-N 3.11Å
54E48Very low51.7Low177 Ų177132.2 Ų132.283%0.82768%0.675SS**SBendtrans53.4105.5152.2-54.4-66.8138.500117.8K52K52-E54 PolarHBondContact O-N 3.47Å
55G48.5Very low52.2Low87 Ų87131.8 Ų131.890%0.89769%0.691SS**  trans99.626.5138.300000118.6
56K42.6Very low53Low160 Ų160130.1 Ų130.170%0.69668%0.683SS**  trans-118.4106.7161.9-146.1167.8-172.71760110.5T58K56-T58 PolarHBondContact O-N 3.09Å
57L49Very low53.9Low167 Ų167125.4 Ų125.487%0.87467%0.665SS**  trans-48.987.5151.3-59.9168.6000106.2E59L57-E59 PolarHBondContact O-N 2.99Å
58T49.7Very low55Low94 Ų94122.3 Ų122.358%0.57766%0.658SS**  trans-70.289.5169.920.70000105K56K56-T58 PolarHBondContact O-N 3.09Å
59E51.2Low56.4Low145 Ų145124.2 Ų124.268%0.67867%0.671SS**  trans-27.8135.6149.3-66.8-103.4118.100108.8L57 T61L57-E59 PolarHBondContact O-N 2.99Å; E59-T61 WeakPolarHBondContact O-CA 3.28Å; E59-T61 PolarHBondContact O-N 3.43Å
60P51.4Low57.4Low120 Ų120124.2 Ų124.278%0.77967%0.669SS**SBendtrans-47.6111.1-178.121.2-32.3000107.7Q62P60-Q62 PolarHBondContact O-N 3Å
61T53.7Low58.7Low101 Ų101121 Ų12162%0.6266%0.656SS**  trans-49.6116.5-160.7-41.30000108.4E59 F63E59-T61 WeakPolarHBondContact O-CA 3.28Å; E59-T61 PolarHBondContact O-N 3.43Å; T61-F63 VanDerWaalsContact C-N 3.32Å; T61-F63 PolarHBondContact O-N 3.11Å
62Q51.9Low60.2Low175 Ų175113.8 Ų113.882%0.81862%0.623SS**  trans-53.395-178.2-67.6-179.2-12.500109.1P60 S64P60-Q62 PolarHBondContact O-N 3Å; Q62-S64 PolarHBondContact O-N 3.09Å
63F51.2Low61.8Low193 Ų193114.4 Ų114.485%0.84663%0.627SS**  trans26.559.1168.9-159.7-99.2000113.6T61 G65T61-F63 VanDerWaalsContact C-N 3.32Å; T61-F63 PolarHBondContact O-N 3.11Å; F63-G65 PolarHBondContact O-N 2.89Å
64S55.5Low63.6Low63 Ų63110.5 Ų110.544%0.44161%0.614SS.*  trans-59129157.550.40000103.9Q62 Q66Q62-S64 PolarHBondContact O-N 3.09Å; S64-Q66 CarbonylContact O-C 3.54Å; S64-Q66 PolarHBondContact O-N 2.96Å; S64-Q66 VanDerWaalsContact O-O 3.05Å; S64-Q66 PolarHBondContact OG-O 3.22Å
65G63.8Low65.5Low75 Ų75104.8 Ų104.877%0.77359%0.589SS**SBendtrans-59.39.2-179.800000115.1F63F63-G65 PolarHBondContact O-N 2.89Å
66Q68.3Low67.4Low104 Ų104104.7 Ų104.749%0.48656%0.562SS.*SBendtrans-107.3126.6173.7-59.2177.50.300109.1S64S64-Q66 CarbonylContact O-C 3.54Å; S64-Q66 PolarHBondContact O-N 2.96Å; S64-Q66 VanDerWaalsContact O-O 3.05Å; S64-Q66 PolarHBondContact OG-O 3.22Å
67L71.2Confident69.5Low56 Ų5699 Ų9929%0.29355%0.548SS..  trans-75.2142.1173.5-63.3171.3000109.8I36 P41 E71 V72 I75I36-L67 HydrophobicContact CG2-CD1 4.08Å; P41-L67 VanDerWaalsContact CA-O 3.29Å; P41-L67 WeakPolarHBondContact CA-O 3.4Å; P41-L67 WeakPolarHBondContact CB-O 3.32Å; P41-L67 WeakPolarHBondContact CD-O 3.1Å; P41-L67 VanDerWaalsContact N-O 3.13Å; L67-E71 WeakPolarHBondContact CA-OE2 3.26Å; L67-E71 HydrophobicContact CB-CB 4.38Å; L67-V72 HydrophobicContact CB-CG2 3.76Å; L67-V72 HydrophobicContact CD1-CG2 4.27Å; L67-I75 HydrophobicContact CD1-CD1 4.26Å
68S78.1Confident71.5Confident65 Ų6596.1 Ų96.146%0.45553%0.532SS..  trans-66.5160.3170.31760000111.8M70 E71 V72S68-M70 PolarHBondContact O-N 3.43Å; S68-E71 PolarHBondContact N-OE2 3.32Å; S68-E71 PolarHBondContact O-N 3.47Å; S68-E71 VanDerWaalsContact O-N 3.14Å; S68-V72 WeakPolarHBondContact O-CG2 3.24Å; S68-V72 PolarHBondContact O-N 3.3Å
69S81Confident73.4Confident76 Ų7693.2 Ų93.253%0.53151%0.513SS..Hα-helixtrans-63.3-36.8-178.5-172.30000110.9P41 Q73P41-S69 VanDerWaalsContact CG-CA 3.43Å; P41-S69 VanDerWaalsContact CG-N 3.32Å; S69-Q73 VanDerWaalsContact O-CB 3.32Å; S69-Q73 WeakPolarHBondContact O-CB 3.15Å; S69-Q73 PolarHBondContact O-N 2.82Å
70M76.7Confident75.1Confident138 Ų13887.1 Ų87.168%0.6849%0.49SS*.Hα-helixtrans-65.7-44.4176.6-171.6175.6-76.400110.7S68 V72 Q73 V74S68-M70 PolarHBondContact O-N 3.43Å; M70-V72 PolarHBondContact O-N 2.76Å; M70-Q73 PolarHBondContact O-N 2.82Å; M70-V74 HydrophobicContact CG-CG2 4.44Å; M70-V74 WeakPolarHBondContact O-CB 3.21Å; M70-V74 VanDerWaalsContact O-CG2 3.24Å; M70-V74 WeakPolarHBondContact O-CG2 3.32Å; M70-V74 PolarHBondContact O-N 2.73Å
71E83.1Confident76.8Confident98 Ų9886.9 Ų86.946%0.45848%0.481SS..Hα-helixtrans-61.8-45.8178-65.8174.9142.700111.5L67 S68 Q73 V74 I75L67-E71 WeakPolarHBondContact CA-OE2 3.26Å; L67-E71 HydrophobicContact CB-CB 4.38Å; S68-E71 PolarHBondContact N-OE2 3.32Å; S68-E71 PolarHBondContact O-N 3.47Å; S68-E71 VanDerWaalsContact O-N 3.14Å; E71-Q73 VanDerWaalsContact C-N 3.33Å; E71-Q73 PolarHBondContact O-N 3.47Å; E71-V74 PolarHBondContact O-N 2.99Å; E71-I75 WeakPolarHBondContact O-CB 3.48Å; E71-I75 WeakPolarHBondContact O-CD1 3.38Å; E71-I75 WeakPolarHBondContact O-CG1 3.47Å; E71-I75 PolarHBondContact O-N 3.1Å
72V85.7Confident78.3Confident7 Ų785 Ų854%0.04247%0.472CS..Hα-helixtrans-59.7-44.8175.2169.50000111.2I36 L67 S68 M70 R76I36-V72 HydrophobicContact CG2-CB 4.32Å; I36-V72 HydrophobicContact CG2-CG1 4.08Å; I36-V72 HydrophobicContact CG2-CG2 4.01Å; L67-V72 HydrophobicContact CB-CG2 3.76Å; L67-V72 HydrophobicContact CD1-CG2 4.27Å; S68-V72 WeakPolarHBondContact O-CG2 3.24Å; S68-V72 PolarHBondContact O-N 3.3Å; M70-V72 PolarHBondContact O-N 2.76Å; V72-R76 HydrophobicContact CG1-CG 4.3Å; V72-R76 VanDerWaalsContact CG1-NE 3.31Å; V72-R76 VanDerWaalsContact O-CB 3.24Å; V72-R76 WeakPolarHBondContact O-CB 3.46Å; V72-R76 WeakPolarHBondContact O-CG 3.39Å; V72-R76 PolarHBondContact O-N 3.14Å
73Q85.9Confident79.9Confident141 Ų14181.3 Ų81.366%0.65945%0.453SS*.Hα-helixtrans-64.3-43.6179.2-174.2175.88.100111.6S69 M70 E71 G77S69-Q73 VanDerWaalsContact O-CB 3.32Å; S69-Q73 WeakPolarHBondContact O-CB 3.15Å; S69-Q73 PolarHBondContact O-N 2.82Å; M70-Q73 PolarHBondContact O-N 2.82Å; E71-Q73 VanDerWaalsContact C-N 3.33Å; E71-Q73 PolarHBondContact O-N 3.47Å; Q73-G77 PolarHBondContact O-N 3.06Å
74V89.4Confident81.7Confident78 Ų7878.1 Ų78.147%0.47344%0.439SS..Hα-helixtrans-62.1-51.5176.9170.30000110.5M70 E71 R76 G77 I78M70-V74 HydrophobicContact CG-CG2 4.44Å; M70-V74 WeakPolarHBondContact O-CB 3.21Å; M70-V74 VanDerWaalsContact O-CG2 3.24Å; M70-V74 WeakPolarHBondContact O-CG2 3.32Å; M70-V74 PolarHBondContact O-N 2.73Å; E71-V74 PolarHBondContact O-N 2.99Å; V74-R76 PolarHBondContact O-N 3.22Å; V74-G77 WeakPolarHBondContact O-CA 3.49Å; V74-G77 PolarHBondContact O-N 2.81Å; V74-G77 VanDerWaalsContact O-N 3.09Å; V74-I78 HydrophobicContact CG1-CD1 3.82Å; V74-I78 WeakPolarHBondContact O-CG1 3.47Å; V74-I78 PolarHBondContact O-N 3.1Å
75I88.1Confident83.3Confident58 Ų5878.8 Ų78.830%0.29744%0.44SS..Hα-helixtrans-63.3-42.5-179.1-61.3161.6000110.7I36 L67 E71 G77 I78 L79I36-I75 HydrophobicContact CD1-CB 4.4Å; I36-I75 HydrophobicContact CD1-CG2 3.43Å; I36-I75 VanDerWaalsContact CD1-CG2 3.43Å; L67-I75 HydrophobicContact CD1-CD1 4.26Å; E71-I75 WeakPolarHBondContact O-CB 3.48Å; E71-I75 WeakPolarHBondContact O-CD1 3.38Å; E71-I75 WeakPolarHBondContact O-CG1 3.47Å; E71-I75 PolarHBondContact O-N 3.1Å; I75-G77 VanDerWaalsContact C-N 3.3Å; I75-G77 PolarHBondContact O-N 3.29Å; I75-I78 PolarHBondContact O-N 2.88Å; I75-L79 HydrophobicContact CG2-CD1 3.72Å; I75-L79 HydrophobicContact CG2-CG 4.07Å; I75-L79 VanDerWaalsContact O-CB 3.29Å; I75-L79 WeakPolarHBondContact O-CB 3.48Å; I75-L79 VanDerWaalsContact O-CG 3.26Å; I75-L79 WeakPolarHBondContact O-CG 3.46Å; I75-L79 PolarHBondContact O-N 2.88Å
76R87Confident84.5Confident85 Ų8578.3 Ų78.332%0.32143%0.429SS..Hα-helixtrans-63-37.4174.2-74.5-176.1-168.5-173.822.4112.5K33 S37 V72 V74 G80K33-R76 HydrophobicContact CG-CG 4.12Å; S37-R76 VanDerWaalsContact OG-CZ 3.25Å; S37-R76 PolarHBondContact OG-NH2 2.99Å; V72-R76 HydrophobicContact CG1-CG 4.3Å; V72-R76 VanDerWaalsContact CG1-NE 3.31Å; V72-R76 VanDerWaalsContact O-CB 3.24Å; V72-R76 WeakPolarHBondContact O-CB 3.46Å; V72-R76 WeakPolarHBondContact O-CG 3.39Å; V72-R76 PolarHBondContact O-N 3.14Å; V74-R76 PolarHBondContact O-N 3.22Å; R76-G80 WeakPolarHBondContact O-CA 3.41Å; R76-G80 PolarHBondContact O-N 2.85Å
77G88.4Confident85.4Confident39 Ų3978.1 Ų78.140%0.40244%0.44SS..Hα-helixtrans-59.3-55.3174.900000110.5Q73 V74 I75 G80 L81Q73-G77 PolarHBondContact O-N 3.06Å; V74-G77 WeakPolarHBondContact O-CA 3.49Å; V74-G77 PolarHBondContact O-N 2.81Å; V74-G77 VanDerWaalsContact O-N 3.09Å; I75-G77 VanDerWaalsContact C-N 3.3Å; I75-G77 PolarHBondContact O-N 3.29Å; G77-G80 CarbonylContact O-C 3.56Å; G77-G80 WeakPolarHBondContact O-CA 3.24Å; G77-G80 PolarHBondContact O-N 3.14Å; G77-G80 VanDerWaalsContact O-N 3.1Å; G77-L81 WeakPolarHBondContact O-CG 3.43Å; G77-L81 PolarHBondContact O-N 3.04Å
78I90.5Very high86.2Confident107 Ų10780.3 Ų80.355%0.54945%0.452SS..Hα-helixtrans-61.9-48.7-179.9-64.7169000111.6V74 I75 G80 L81 S82V74-I78 HydrophobicContact CG1-CD1 3.82Å; V74-I78 WeakPolarHBondContact O-CG1 3.47Å; V74-I78 PolarHBondContact O-N 3.1Å; I75-I78 PolarHBondContact O-N 2.88Å; I78-G80 PolarHBondContact O-N 2.83Å; I78-L81 WeakPolarHBondContact O-CB 3.29Å; I78-L81 PolarHBondContact O-N 3.27Å; I78-L81 VanDerWaalsContact O-N 3.14Å; I78-S82 PolarHBondContact O-N 2.91Å
79L88.6Confident86.5Confident33 Ų3380.9 Ų80.917%0.17346%0.46CS..Hα-helixtrans-60.5-33175.6-71.6176.3000111.8L32 I36 I75L32-L79 HydrophobicContact CD2-CD1 3.88Å; L32-L79 HydrophobicContact CD2-CD2 4.05Å; L32-L79 HydrophobicContact CG-CD1 3.93Å; I36-L79 HydrophobicContact CD1-CD1 4Å; I75-L79 HydrophobicContact CG2-CD1 3.72Å; I75-L79 HydrophobicContact CG2-CG 4.07Å; I75-L79 VanDerWaalsContact O-CB 3.29Å; I75-L79 WeakPolarHBondContact O-CB 3.48Å; I75-L79 VanDerWaalsContact O-CG 3.26Å; I75-L79 WeakPolarHBondContact O-CG 3.46Å; I75-L79 PolarHBondContact O-N 2.88Å
80G87.3Confident86.9Confident18 Ų1883 Ų8319%0.18647%0.465CS..Hα-helixtrans-66.5-45.2173.600000112.6R76 G77 I78 S82 K83 K84R76-G80 WeakPolarHBondContact O-CA 3.41Å; R76-G80 PolarHBondContact O-N 2.85Å; G77-G80 CarbonylContact O-C 3.56Å; G77-G80 WeakPolarHBondContact O-CA 3.24Å; G77-G80 PolarHBondContact O-N 3.14Å; G77-G80 VanDerWaalsContact O-N 3.1Å; I78-G80 PolarHBondContact O-N 2.83Å; G80-S82 PolarHBondContact O-N 3.43Å; G80-K83 PolarHBondContact O-N 3.09Å; G80-K84 WeakPolarHBondContact O-CG 3.45Å; G80-K84 PolarHBondContact O-N 3.39Å; G80-K84 VanDerWaalsContact O-N 3.1Å
81L88.1Confident87.4Confident115 Ų11581 Ų8160%0.60246%0.46SS*.Hα-helixtrans-57.3-34.8178-68-178.3000112.1G77 I78 K83 K84G77-L81 WeakPolarHBondContact O-CG 3.43Å; G77-L81 PolarHBondContact O-N 3.04Å; I78-L81 WeakPolarHBondContact O-CB 3.29Å; I78-L81 PolarHBondContact O-N 3.27Å; I78-L81 VanDerWaalsContact O-N 3.14Å; L81-K83 PolarHBondContact O-N 3.43Å; L81-K84 HydrophobicContact CD2-CD 4.27Å; L81-K84 PolarHBondContact O-N 3.5Å; L81-K84 VanDerWaalsContact O-N 3.1Å
82S85.4Confident87.5Confident61 Ų6179.7 Ų79.743%0.42746%0.46SS..THydrogen-bonded Turntrans-62.5-15.4178-154.80000114.4R29 I78 G80R29-S82 PolarHBondContact NH1-O 3.42Å; R29-S82 PolarHBondContact NH1-OG 2.86Å; R29-S82 PolarHBondContact NH2-OG 2.85Å; I78-S82 PolarHBondContact O-N 2.91Å; G80-S82 PolarHBondContact O-N 3.43Å
83K84.1Confident87.4Confident98 Ų9886.6 Ų86.643%0.42650%0.496SS..THydrogen-bonded Turntrans-111.7-16173.9-65.1-172175.3-168.40113.4Q30 G80 L81Q30-K83 VanDerWaalsContact CG-NZ 3.28Å; Q30-K83 VanDerWaalsContact NE2-NZ 3.2Å; G80-K83 PolarHBondContact O-N 3.09Å; L81-K83 PolarHBondContact O-N 3.43Å
84K89.1Confident87.2Confident126 Ų12685.7 Ų85.755%0.54850%0.496SS..  trans-72.1130.9177.8-71.1-161.9-179.8-1630108.9G80 L81 D88G80-K84 WeakPolarHBondContact O-CG 3.45Å; G80-K84 PolarHBondContact O-N 3.39Å; G80-K84 VanDerWaalsContact O-N 3.1Å; L81-K84 HydrophobicContact CD2-CD 4.27Å; L81-K84 PolarHBondContact O-N 3.5Å; L81-K84 VanDerWaalsContact O-N 3.1Å; K84-D88 HydrophobicContact CB-CB 4.4Å
85T89.5Confident86.5Confident76 Ų7686.5 Ų86.547%0.46649%0.493SS..  trans-93.6165.2171.665.60000109.8S87 D88 A89T85-S87 PolarHBondContact O-N 3.27Å; T85-S87 PolarHBondContact OG1-N 2.85Å; T85-D88 PolarHBondContact N-OD2 2.63Å; T85-D88 WeakPolarHBondContact O-CB 3.21Å; T85-D88 PolarHBondContact O-N 3.49Å; T85-D88 PolarHBondContact OG1-N 2.79Å; T85-D88 PolarHBondContact OG1-OD2 3.1Å; T85-A89 PolarHBondContact O-N 2.84Å
86A88.1Confident86.1Confident65 Ų6587.6 Ų87.654%0.53750%0.502SS..Hα-helixtrans-54-33.7170.400000111.6D88 A89 L90A86-D88 PolarHBondContact O-N 3.19Å; A86-A89 PolarHBondContact O-N 3.18Å; A86-L90 HydrophobicContact CB-CD1 3.93Å; A86-L90 HydrophobicContact CB-CG 4.46Å; A86-L90 WeakPolarHBondContact O-CB 3.47Å; A86-L90 WeakPolarHBondContact O-CG 3.37Å; A86-L90 PolarHBondContact O-N 3.27Å
87S88.4Confident85.4Confident101 Ų10189.6 Ų89.671%0.70651%0.514SS*.Hα-helixtrans-62.7-28.7175.2-1690000113.6T85T85-S87 PolarHBondContact O-N 3.27Å; T85-S87 PolarHBondContact OG1-N 2.85Å
88D86.8Confident85Confident102 Ų10293.8 Ų93.855%0.54552%0.524SS..Hα-helixtrans-84.6-21.2178.5-55.5-53.8000112.5K84 T85 A86K84-D88 HydrophobicContact CB-CB 4.4Å; T85-D88 PolarHBondContact N-OD2 2.63Å; T85-D88 WeakPolarHBondContact O-CB 3.21Å; T85-D88 PolarHBondContact O-N 3.49Å; T85-D88 PolarHBondContact OG1-N 2.79Å; T85-D88 PolarHBondContact OG1-OD2 3.1Å; A86-D88 PolarHBondContact O-N 3.19Å
89A84.9Confident84.5Confident77 Ų7790.6 Ų90.664%0.63651%0.51SS*.Hα-helixtrans-101-27.6-175.900000113T85 A86T85-A89 PolarHBondContact O-N 2.84Å; A86-A89 PolarHBondContact O-N 3.18Å
90L90Very high84.3Confident119 Ų11991.5 Ų91.562%0.62352%0.515SS*.SBendtrans-96146.3-175.2-62.2176.7000111.3A86A86-L90 HydrophobicContact CB-CD1 3.93Å; A86-L90 HydrophobicContact CB-CG 4.46Å; A86-L90 WeakPolarHBondContact O-CB 3.47Å; A86-L90 WeakPolarHBondContact O-CG 3.37Å; A86-L90 PolarHBondContact O-N 3.27Å
91V87.9Confident84.1Confident97 Ų97100.6 Ų100.659%0.58855%0.545SS*.PPolyproline II helixtrans-76127169.5179.60000108.3K95 V96V91-K95 HydrophobicContact CG1-CB 3.67Å; V91-V96 HydrophobicContact CB-CG2 4.26Å; V91-V96 HydrophobicContact CG1-CG2 3.97Å
92P84.6Confident83.9Confident71 Ų71102.7 Ų102.746%0.46155%0.551SS.*PPolyproline II helixtrans-55142.4175.1-29.638000112.6N94 K95P92-N94 WeakPolarHBondContact CB-OD1 3.19Å; P92-N94 PolarHBondContact O-N 2.86Å; P92-N94 VanDerWaalsContact O-N 3.1Å; P92-K95 PolarHBondContact O-N 3.29Å
93L83.4Confident83.6Confident151 Ų151101.8 Ų101.879%0.79154%0.542SS*.G310 helixtrans-59.4-27.9-173.7-172.363.9000113.6K95 V96L93-K95 PolarHBondContact O-N 2.93Å; L93-V96 HydrophobicContact CD1-CB 4.43Å; L93-V96 PolarHBondContact O-N 2.85Å
94N81.6Confident83.4Confident122 Ų122104.6 Ų104.665%0.65256%0.556SS**G310 helixtrans-69.6-13.8175.265.9-29.2000113.9P92P92-N94 WeakPolarHBondContact CB-OD1 3.19Å; P92-N94 PolarHBondContact O-N 2.86Å; P92-N94 VanDerWaalsContact O-N 3.1Å
95K74.4Confident83.1Confident95 Ų95104.3 Ų104.341%0.41356%0.56SS.*G310 helixtrans-104.13.9174.2-64.4-172.6172.6-164.80112.7V91 P92 L93 E131V91-K95 HydrophobicContact CG1-CB 3.67Å; P92-K95 PolarHBondContact O-N 3.29Å; L93-K95 PolarHBondContact O-N 2.93Å; K95-E131 WeakPolarHBondContact CE-OE1 3.43Å; K95-E131 IonicContact NZ-OE1 3.62Å; K95-E131 PolarHBondContact NZ-OE1 3.15Å
96V79.6Confident82.8Confident81 Ų81105.3 Ų105.349%0.49156%0.562SS.*  trans-102132.6178179.80000108.7V91 L93V91-V96 HydrophobicContact CB-CG2 4.26Å; V91-V96 HydrophobicContact CG1-CG2 3.97Å; L93-V96 HydrophobicContact CD1-CB 4.43Å; L93-V96 PolarHBondContact O-N 2.85Å
97F73.1Confident82.4Confident128 Ų128110.8 Ų110.856%0.56157%0.574SS**  trans-103.3146.2172.767.8-85.4000109.8V99 V113F97-V99 HydrophobicContact CD2-CG2 3.54Å; F97-V99 HydrophobicContact CE2-CG2 3.59Å; F97-V113 HydrophobicContact CB-CG1 4.13Å; F97-V113 HydrophobicContact CD1-CG1 4.05Å; F97-V113 HydrophobicContact CD2-CG1 3.74Å; F97-V113 HydrophobicContact CE1-CG1 4.41Å; F97-V113 HydrophobicContact CE2-CG1 4.13Å; F97-V113 HydrophobicContact CG-CG1 3.7Å; F97-V113 HydrophobicContact CZ-CG1 4.46Å
98M79.8Confident81.9Confident126 Ų126113.8 Ų113.862%0.62158%0.577SS**  trans-119125.6173.6-171.2175.78300107.7
99V80.7Confident81.4Confident41 Ų41110.4 Ų110.425%0.24856%0.557CS.*  trans-102.4140.4177.8-175.80000107.7F97 D103 I105 F109F97-V99 HydrophobicContact CD2-CG2 3.54Å; F97-V99 HydrophobicContact CE2-CG2 3.59Å; V99-D103 HydrophobicContact CG1-CB 3.59Å; V99-I105 HydrophobicContact CG1-CG1 4.46Å; V99-F109 HydrophobicContact CB-CE1 4.44Å; V99-F109 HydrophobicContact CB-CZ 4.4Å; V99-F109 HydrophobicContact CG1-CE1 3.75Å; V99-F109 HydrophobicContact CG1-CZ 3.74Å; V99-F109 HydrophobicContact CG2-CE1 3.78Å; V99-F109 HydrophobicContact CG2-CZ 3.96Å
100D83.8Confident81.1Confident52 Ų52109.5 Ų109.528%0.27854%0.544SS..  trans-71.9150.4172.9-151.3-50.3000110.1Q102 D103 R140D100-Q102 PolarHBondContact O-N 3.31Å; D100-Q102 PolarHBondContact OD1-N 3.41Å; D100-D103 HydrophobicContact CB-CB 4.46Å; D100-D103 WeakPolarHBondContact CB-OD2 3.48Å; D100-D103 PolarHBondContact N-OD2 2.69Å; D100-D103 WeakPolarHBondContact O-CB 3.2Å; D100-D103 PolarHBondContact O-N 3Å; D100-D103 VanDerWaalsContact O-N 3.1Å; D100-R140 IonicContact OD2-CZ 3.28Å; D100-R140 IonicContact OD2-NE 2.77Å; D100-R140 IonicContact OD2-NH2 3.49Å; D100-R140 PolarHBondContact OD2-NH2 2.76Å
101Y83.2Confident80.4Confident209 Ų209106.3 Ų106.382%0.8253%0.527SS*.THydrogen-bonded Turntrans-62-27.5176.2-180-94.1000112
102Q84.2Confident79.7Confident158 Ų158108.9 Ų108.974%0.73853%0.53SS*.THydrogen-bonded Turntrans-87.4-1.1179-55.8-65.91.500113.6D100D100-Q102 PolarHBondContact O-N 3.31Å; D100-Q102 PolarHBondContact OD1-N 3.41Å
103D77.7Confident79.2Confident43 Ų43106.5 Ų106.523%0.2352%0.515CS..  trans-80.8127.8178.8-68.6-27.1000110.4V99 D100 I105 F109 Y138V99-D103 HydrophobicContact CG1-CB 3.59Å; D100-D103 HydrophobicContact CB-CB 4.46Å; D100-D103 WeakPolarHBondContact CB-OD2 3.48Å; D100-D103 PolarHBondContact N-OD2 2.69Å; D100-D103 WeakPolarHBondContact O-CB 3.2Å; D100-D103 PolarHBondContact O-N 3Å; D100-D103 VanDerWaalsContact O-N 3.1Å; D103-I105 PolarHBondContact O-N 2.89Å; D103-F109 HydrophobicContact CB-CZ 4.45Å; D103-Y138 VanDerWaalsContact CG-OH 3.23Å; D103-Y138 PolarHBondContact OD1-OH 3.1Å; D103-Y138 PolarHBondContact OD2-OH 3.22Å
104E81.4Confident78.6Confident156 Ų156102.9 Ų102.973%0.72950%0.495SS*.  trans-77.2119.2170.8-68.8-177.8171.400110D106E104-D106 PolarHBondContact O-N 3.26Å
105I82.5Confident77.9Confident120 Ų12098 Ų9862%0.61547%0.474SS*.  trans-81.174.3178.8-53.9177.7000109.1V99 D103 F109 V110V99-I105 HydrophobicContact CG1-CG1 4.46Å; D103-I105 PolarHBondContact O-N 2.89Å; I105-F109 HydrophobicContact CG1-CD1 4.48Å; I105-F109 HydrophobicContact CG2-CD1 4.35Å; I105-V110 HydrophobicContact CG2-CG2 3.64Å
106D83.2Confident77.4Confident97 Ų9794 Ų9452%0.51946%0.457SS..  trans-83.1161172.3-87.6-20.4000112.1E104 E108 F109 V110E104-D106 PolarHBondContact O-N 3.26Å; D106-E108 PolarHBondContact O-N 2.87Å; D106-E108 VanDerWaalsContact O-N 3.15Å; D106-F109 WeakPolarHBondContact O-CA 3.45Å; D106-F109 WeakPolarHBondContact O-CB 2.98Å; D106-F109 PolarHBondContact O-N 3.39Å; D106-V110 PolarHBondContact O-N 3.47Å
107K79.4Confident76.4Confident181 Ų18196.2 Ų96.279%0.78747%0.471SS*.Hα-helixtrans-51.8-39.4175-66.8179.6-177.11760111.4V110 L111K107-V110 PolarHBondContact O-N 3.29Å; K107-L111 WeakPolarHBondContact O-CB 3.31Å; K107-L111 WeakPolarHBondContact O-CG 3.07Å; K107-L111 PolarHBondContact O-N 3.17Å
108E77.1Confident75.9Confident163 Ų16392.5 Ų92.576%0.76246%0.46SS*.Hα-helixtrans-65-40.6176-63.9-171.3177.400112.5D106 L111 K112D106-E108 PolarHBondContact O-N 2.87Å; D106-E108 VanDerWaalsContact O-N 3.15Å; E108-L111 PolarHBondContact O-N 3.27Å; E108-K112 WeakPolarHBondContact O-CB 3.13Å; E108-K112 PolarHBondContact O-N 2.81Å
109F77.7Confident75.2Confident31 Ų3194 Ų9414%0.13647%0.466CS..Hα-helixtrans-64.2-44.4175.3-177.8-100.2000111.3V99 D103 I105 D106 L111 K112 V113 Y138V99-F109 HydrophobicContact CB-CE1 4.44Å; V99-F109 HydrophobicContact CB-CZ 4.4Å; V99-F109 HydrophobicContact CG1-CE1 3.75Å; V99-F109 HydrophobicContact CG1-CZ 3.74Å; V99-F109 HydrophobicContact CG2-CE1 3.78Å; V99-F109 HydrophobicContact CG2-CZ 3.96Å; D103-F109 HydrophobicContact CB-CZ 4.45Å; I105-F109 HydrophobicContact CG1-CD1 4.48Å; I105-F109 HydrophobicContact CG2-CD1 4.35Å; D106-F109 WeakPolarHBondContact O-CA 3.45Å; D106-F109 WeakPolarHBondContact O-CB 2.98Å; D106-F109 PolarHBondContact O-N 3.39Å; F109-L111 PolarHBondContact O-N 2.8Å; F109-K112 WeakPolarHBondContact O-CB 3.44Å; F109-K112 PolarHBondContact O-N 2.92Å; F109-V113 HydrophobicContact CD1-CG2 3.98Å; F109-V113 HydrophobicContact CD2-CG2 4.46Å; F109-V113 HydrophobicContact CE1-CG2 3.59Å; F109-V113 HydrophobicContact CE2-CG2 4.1Å; F109-V113 HydrophobicContact CG-CG2 4.4Å; F109-V113 HydrophobicContact CZ-CG2 3.65Å; F109-V113 WeakPolarHBondContact O-CB 3.3Å; F109-V113 VanDerWaalsContact O-CG2 3.3Å; F109-V113 WeakPolarHBondContact O-CG2 3.42Å; F109-V113 PolarHBondContact O-N 3.32Å; F109-Y138 HydrophobicContact CE2-CD2 4.45Å; F109-Y138 AromaticContact CE2-CE2 3.98Å; F109-Y138 HydrophobicContact CE2-CE2 3.98Å; F109-Y138 HydrophobicContact CZ-CE2 4.36Å
110V78.5Confident74.5Confident59 Ų5999.3 Ų99.336%0.35849%0.488SS..Hα-helixtrans-60.6-45.9175.7175.60000110.9I105 D106 K107 K112 V113 I114I105-V110 HydrophobicContact CG2-CG2 3.64Å; D106-V110 PolarHBondContact O-N 3.47Å; K107-V110 PolarHBondContact O-N 3.29Å; V110-K112 VanDerWaalsContact C-N 3.33Å; V110-K112 PolarHBondContact O-N 3.45Å; V110-V113 PolarHBondContact O-N 3.47Å; V110-I114 HydrophobicContact CG1-CD1 3.54Å; V110-I114 HydrophobicContact CG1-CG1 4.28Å; V110-I114 VanDerWaalsContact O-CG1 3.26Å; V110-I114 WeakPolarHBondContact O-CG1 3.47Å; V110-I114 PolarHBondContact O-N 2.98Å
111L74.9Confident73.6Confident52 Ų52100.3 Ų100.327%0.27249%0.494SS..Hα-helixtrans-60.4-42.8176-71.6172.6000111.6K107 E108 F109 G115 I116 V122K107-L111 WeakPolarHBondContact O-CB 3.31Å; K107-L111 WeakPolarHBondContact O-CG 3.07Å; K107-L111 PolarHBondContact O-N 3.17Å; E108-L111 PolarHBondContact O-N 3.27Å; F109-L111 PolarHBondContact O-N 2.8Å; L111-G115 PolarHBondContact O-N 3.1Å; L111-I116 CarbonylContact C-O 3.53Å; L111-I116 CarbonylContact O-C 3.55Å; L111-I116 PolarHBondContact O-N 3.29Å; L111-I116 VanDerWaalsContact O-O 3.06Å; L111-V122 HydrophobicContact CD2-CG2 3.61Å
112K73.5Confident72.7Confident150 Ų15091.9 Ų91.965%0.65246%0.464SS*.Hα-helixtrans-62.8-42.2175.3-175.9-178.4178.5-175.60112.5E108 F109 V110 G115E108-K112 WeakPolarHBondContact O-CB 3.13Å; E108-K112 PolarHBondContact O-N 2.81Å; F109-K112 WeakPolarHBondContact O-CB 3.44Å; F109-K112 PolarHBondContact O-N 2.92Å; V110-K112 VanDerWaalsContact C-N 3.33Å; V110-K112 PolarHBondContact O-N 3.45Å; K112-G115 PolarHBondContact O-N 3.19Å
113V73Confident72Confident22 Ų2289.4 Ų89.413%0.13346%0.455CS..Hα-helixtrans-70.6-42.2-178.4168.90000111.6F97 F109 V110 G115 P135F97-V113 HydrophobicContact CB-CG1 4.13Å; F97-V113 HydrophobicContact CD1-CG1 4.05Å; F97-V113 HydrophobicContact CD2-CG1 3.74Å; F97-V113 HydrophobicContact CE1-CG1 4.41Å; F97-V113 HydrophobicContact CE2-CG1 4.13Å; F97-V113 HydrophobicContact CG-CG1 3.7Å; F97-V113 HydrophobicContact CZ-CG1 4.46Å; F109-V113 HydrophobicContact CD1-CG2 3.98Å; F109-V113 HydrophobicContact CD2-CG2 4.46Å; F109-V113 HydrophobicContact CE1-CG2 3.59Å; F109-V113 HydrophobicContact CE2-CG2 4.1Å; F109-V113 HydrophobicContact CG-CG2 4.4Å; F109-V113 HydrophobicContact CZ-CG2 3.65Å; F109-V113 WeakPolarHBondContact O-CB 3.3Å; F109-V113 VanDerWaalsContact O-CG2 3.3Å; F109-V113 WeakPolarHBondContact O-CG2 3.42Å; F109-V113 PolarHBondContact O-N 3.32Å; V110-V113 PolarHBondContact O-N 3.47Å; V113-G115 PolarHBondContact O-N 3.31Å; V113-G115 VanDerWaalsContact O-N 3.1Å; V113-P135 WeakPolarHBondContact O-CB 3.35Å; V113-P135 WeakPolarHBondContact O-CG 3.46Å
114I71.9Confident71.6Confident74 Ų7492.5 Ų92.538%0.37947%0.466SS..THydrogen-bonded Turntrans-72.6-3.5177.8-48.9165000110.6V110 I116V110-I114 HydrophobicContact CG1-CD1 3.54Å; V110-I114 HydrophobicContact CG1-CG1 4.28Å; V110-I114 VanDerWaalsContact O-CG1 3.26Å; V110-I114 WeakPolarHBondContact O-CG1 3.47Å; V110-I114 PolarHBondContact O-N 2.98Å; I114-I116 HydrophobicContact CB-CD1 3.67Å; I114-I116 HydrophobicContact CB-CG1 3.71Å; I114-I116 HydrophobicContact CD1-CD1 4.46Å; I114-I116 HydrophobicContact CG2-CD1 3.2Å; I114-I116 HydrophobicContact CG2-CG1 3.51Å; I114-I116 WeakPolarHBondContact O-CG1 3.37Å; I114-I116 PolarHBondContact O-N 3.37Å
115G66.1Low71Confident20 Ų2086.7 Ų86.721%0.20645%0.445CS..THydrogen-bonded Turntrans74.77.3-179.200000112.8L111 K112 V113 T117 P133L111-G115 PolarHBondContact O-N 3.1Å; K112-G115 PolarHBondContact O-N 3.19Å; V113-G115 PolarHBondContact O-N 3.31Å; V113-G115 VanDerWaalsContact O-N 3.1Å; G115-T117 PolarHBondContact O-N 3.4Å; G115-P133 WeakPolarHBondContact O-CG 3.36Å
116I63.9Low70.4Confident10 Ų1088.3 Ų88.35%0.05145%0.452CS..  trans-96.596.7-172.6-38.8172000108.2L111 I114 S118 D121 V122L111-I116 CarbonylContact C-O 3.53Å; L111-I116 CarbonylContact O-C 3.55Å; L111-I116 PolarHBondContact O-N 3.29Å; L111-I116 VanDerWaalsContact O-O 3.06Å; I114-I116 HydrophobicContact CB-CD1 3.67Å; I114-I116 HydrophobicContact CB-CG1 3.71Å; I114-I116 HydrophobicContact CD1-CD1 4.46Å; I114-I116 HydrophobicContact CG2-CD1 3.2Å; I114-I116 HydrophobicContact CG2-CG1 3.51Å; I114-I116 WeakPolarHBondContact O-CG1 3.37Å; I114-I116 PolarHBondContact O-N 3.37Å; I116-S118 VanDerWaalsContact C-N 3.34Å; I116-D121 HydrophobicContact CG2-CB 3.24Å; I116-V122 HydrophobicContact CB-CG2 3.74Å; I116-V122 HydrophobicContact CD1-CB 4.15Å; I116-V122 HydrophobicContact CD1-CG1 4.13Å; I116-V122 HydrophobicContact CD1-CG2 3.75Å; I116-V122 HydrophobicContact CG1-CG2 4.33Å; I116-V122 HydrophobicContact CG2-CB 3.97Å; I116-V122 HydrophobicContact CG2-CG2 3.32Å
117T59.6Low69.9Low128 Ų12891.6 Ų91.679%0.78546%0.462SS*.  trans-76.7-23.8-171.1-54.70000111.9G115G115-T117 PolarHBondContact O-N 3.4Å
118S61.4Low69.5Low50 Ų5085.4 Ų85.435%0.3544%0.439SS..SBendtrans-127.7148.5179.4-178.30000112.3I116 Q120 D121 V122I116-S118 VanDerWaalsContact C-N 3.34Å; S118-Q120 PolarHBondContact O-N 3.01Å; S118-Q120 VanDerWaalsContact O-N 3.12Å; S118-Q120 PolarHBondContact OG-N 3.3Å; S118-D121 PolarHBondContact N-OD2 2.95Å; S118-D121 WeakPolarHBondContact O-CB 3.44Å; S118-D121 PolarHBondContact O-N 3.32Å; S118-V122 PolarHBondContact O-N 3.41Å; S118-V122 VanDerWaalsContact O-N 3.17Å
119Q65Low69.2Low159 Ų15986.1 Ų86.174%0.74345%0.448SS*.Hα-helixtrans-56.5-28.2172.6-68.9-146.6-40.100112.7V122 L123Q119-V122 PolarHBondContact O-N 3.12Å; Q119-L123 WeakPolarHBondContact O-CB 3.26Å; Q119-L123 PolarHBondContact O-N 3.07Å
120Q66.5Low68.8Low151 Ų15190.1 Ų90.171%0.70647%0.467SS*.Hα-helixtrans-67.8-36.5174.8-64.6-176.9-6.400112.1S118 V122 L123 K124S118-Q120 PolarHBondContact O-N 3.01Å; S118-Q120 VanDerWaalsContact O-N 3.12Å; S118-Q120 PolarHBondContact OG-N 3.3Å; Q120-V122 VanDerWaalsContact C-N 3.28Å; Q120-L123 WeakPolarHBondContact O-CB 3.47Å; Q120-L123 PolarHBondContact O-N 3.26Å; Q120-K124 VanDerWaalsContact O-CB 3.31Å; Q120-K124 WeakPolarHBondContact O-CB 3.33Å; Q120-K124 PolarHBondContact O-N 2.77Å
121D65.4Low68.1Low74 Ų7493 Ų9340%0.39648%0.477SS..Hα-helixtrans-70.4-30.2175.4-58.2-32000110.2I116 S118 K124 A125I116-D121 HydrophobicContact CG2-CB 3.24Å; S118-D121 PolarHBondContact N-OD2 2.95Å; S118-D121 WeakPolarHBondContact O-CB 3.44Å; S118-D121 PolarHBondContact O-N 3.32Å; D121-K124 PolarHBondContact O-N 3.2Å; D121-A125 VanDerWaalsContact O-CB 3.3Å; D121-A125 WeakPolarHBondContact O-CB 3.32Å; D121-A125 PolarHBondContact O-N 3.1Å
122V64.7Low67.3Low31 Ų3193.5 Ų93.519%0.18848%0.483CS..Hα-helixtrans-68.9-47176.7-177.40000108.8L111 I116 S118 Q119 Q120 K124 A125 M126L111-V122 HydrophobicContact CD2-CG2 3.61Å; I116-V122 HydrophobicContact CB-CG2 3.74Å; I116-V122 HydrophobicContact CD1-CB 4.15Å; I116-V122 HydrophobicContact CD1-CG1 4.13Å; I116-V122 HydrophobicContact CD1-CG2 3.75Å; I116-V122 HydrophobicContact CG1-CG2 4.33Å; I116-V122 HydrophobicContact CG2-CB 3.97Å; I116-V122 HydrophobicContact CG2-CG2 3.32Å; S118-V122 PolarHBondContact O-N 3.41Å; S118-V122 VanDerWaalsContact O-N 3.17Å; Q119-V122 PolarHBondContact O-N 3.12Å; Q120-V122 VanDerWaalsContact C-N 3.28Å; V122-K124 VanDerWaalsContact C-N 3.3Å; V122-K124 PolarHBondContact O-N 3.25Å; V122-A125 PolarHBondContact O-N 3.23Å; V122-M126 HydrophobicContact CG1-CE 4.07Å; V122-M126 HydrophobicContact CG1-CG 4.47Å; V122-M126 WeakPolarHBondContact O-CB 3.2Å; V122-M126 WeakPolarHBondContact O-CG 3.36Å; V122-M126 PolarHBondContact O-N 2.94Å
123L68.7Low66.8Low107 Ų10790 Ų9056%0.5648%0.476SS*.Hα-helixtrans-57.6-48.2174.6-15172.9000109.8Q119 Q120 A125 M126 F127Q119-L123 WeakPolarHBondContact O-CB 3.26Å; Q119-L123 PolarHBondContact O-N 3.07Å; Q120-L123 WeakPolarHBondContact O-CB 3.47Å; Q120-L123 PolarHBondContact O-N 3.26Å; L123-A125 PolarHBondContact O-N 3.48Å; L123-M126 PolarHBondContact O-N 3.41Å; L123-F127 HydrophobicContact CD1-CD2 4.17Å; L123-F127 HydrophobicContact CD1-CE2 3.53Å; L123-F127 HydrophobicContact CG-CD2 3.79Å; L123-F127 HydrophobicContact CG-CE2 3.64Å; L123-F127 WeakPolarHBondContact O-CD2 3.46Å; L123-F127 PolarHBondContact O-N 3.42Å
124K69.4Low66.3Low107 Ų10793.6 Ų93.647%0.46549%0.491SS..Hα-helixtrans-60.3-47.7178.3-167.6-177.1175.2-148.80111.2Q120 D121 V122 M126 F127 T128 E130Q120-K124 VanDerWaalsContact O-CB 3.31Å; Q120-K124 WeakPolarHBondContact O-CB 3.33Å; Q120-K124 PolarHBondContact O-N 2.77Å; D121-K124 PolarHBondContact O-N 3.2Å; V122-K124 VanDerWaalsContact C-N 3.3Å; V122-K124 PolarHBondContact O-N 3.25Å; K124-M126 VanDerWaalsContact C-N 3.32Å; K124-M126 PolarHBondContact O-N 2.83Å; K124-F127 PolarHBondContact O-N 2.89Å; K124-T128 WeakPolarHBondContact CG-OG1 3.21Å; K124-T128 WeakPolarHBondContact O-CA 3.3Å; K124-T128 WeakPolarHBondContact O-CB 3.48Å; K124-T128 PolarHBondContact O-N 3.44Å; K124-T128 PolarHBondContact O-OG1 2.9Å; K124-E130 WeakPolarHBondContact CE-OE2 3.45Å; K124-E130 IonicContact NZ-OE2 3.83Å; K124-E130 PolarHBondContact NZ-OE2 2.92Å
125A68.5Low65.6Low34 Ų3492.4 Ų92.428%0.28149%0.488SS..Hα-helixtrans-67.9-27.2179.200000113.8D121 V122 L123D121-A125 VanDerWaalsContact O-CB 3.3Å; D121-A125 WeakPolarHBondContact O-CB 3.32Å; D121-A125 PolarHBondContact O-N 3.1Å; V122-A125 PolarHBondContact O-N 3.23Å; L123-A125 PolarHBondContact O-N 3.48Å
126M69.9Low65.4Low155 Ų155100.6 Ų100.676%0.76452%0.518SS*.Hα-helixtrans-79.3-29.1174.6-73.4-146.2-166.900113.3V122 L123 K124V122-M126 HydrophobicContact CG1-CE 4.07Å; V122-M126 HydrophobicContact CG1-CG 4.47Å; V122-M126 WeakPolarHBondContact O-CB 3.2Å; V122-M126 WeakPolarHBondContact O-CG 3.36Å; V122-M126 PolarHBondContact O-N 2.94Å; L123-M126 PolarHBondContact O-N 3.41Å; K124-M126 VanDerWaalsContact C-N 3.32Å; K124-M126 PolarHBondContact O-N 2.83Å
127F73Confident65.1Low166 Ų166104.7 Ų104.773%0.72855%0.554SS**Hα-helixtrans-102.5-9-179.5-66.3-64.4000114.3L123 K124L123-F127 HydrophobicContact CD1-CD2 4.17Å; L123-F127 HydrophobicContact CD1-CE2 3.53Å; L123-F127 HydrophobicContact CG-CD2 3.79Å; L123-F127 HydrophobicContact CG-CE2 3.64Å; L123-F127 WeakPolarHBondContact O-CD2 3.46Å; L123-F127 PolarHBondContact O-N 3.42Å; K124-F127 PolarHBondContact O-N 2.89Å
128T70.5Confident64.9Low51 Ų51103 Ų10331%0.31353%0.534SS..SBendtrans-117.9128.7-179.9-43.90000107.8K124 E130K124-T128 WeakPolarHBondContact CG-OG1 3.21Å; K124-T128 WeakPolarHBondContact O-CA 3.3Å; K124-T128 WeakPolarHBondContact O-CB 3.48Å; K124-T128 PolarHBondContact O-N 3.44Å; K124-T128 PolarHBondContact O-OG1 2.9Å; T128-E130 HydrophobicContact CG2-CB 3.88Å; T128-E130 HydrophobicContact CG2-CG 3.72Å; T128-E130 PolarHBondContact O-N 2.88Å
129D70.3Confident64.8Low178 Ų178111.1 Ų111.195%0.95256%0.556SS**  trans-68.116.6173.2-63.2-40.3000113.1E131D129-E131 PolarHBondContact O-N 3.23Å
130E69.3Low64.3Low114 Ų114110.5 Ų110.553%0.53355%0.547SS..SBendtrans-71.2125.8171.3-83.3-172.2161.800108.9K124 T128K124-E130 WeakPolarHBondContact CE-OE2 3.45Å; K124-E130 IonicContact NZ-OE2 3.83Å; K124-E130 PolarHBondContact NZ-OE2 2.92Å; T128-E130 HydrophobicContact CG2-CB 3.88Å; T128-E130 HydrophobicContact CG2-CG 3.72Å; T128-E130 PolarHBondContact O-N 2.88Å
131E64.9Low63.9Low121 Ų121109 Ų10957%0.56554%0.544SS*.PPolyproline II helixtrans-56.3125176.3-169.9172-17000109K95 D129K95-E131 WeakPolarHBondContact CE-OE1 3.43Å; K95-E131 IonicContact NZ-OE1 3.62Å; K95-E131 PolarHBondContact NZ-OE1 3.15Å; D129-E131 PolarHBondContact O-N 3.23Å
132P58.6Low63.4Low61 Ų61116.4 Ų116.440%0.39657%0.567SS.*PPolyproline II helixtrans-56.5146-18020.9-31.1000109.8Q134P132-Q134 PolarHBondContact O-N 2.93Å
133P61.7Low63Low78 Ų78119.9 Ų119.951%0.50659%0.592SS.*PPolyproline II helixtrans-52.8134.6178.621.5-31.6000109.5G115G115-P133 WeakPolarHBondContact O-CG 3.36Å
134Q62Low62.4Low97 Ų97119.3 Ų119.345%0.45360%0.597SS.*PPolyproline II helixtrans-55130.3-178.4-67.8-68.12.400109.3P132 K136P132-Q134 PolarHBondContact O-N 2.93Å; Q134-K136 PolarHBondContact O-N 2.91Å
135P59.2Low61.7Low48 Ų48117.7 Ų117.731%0.31260%0.604SS.*PPolyproline II helixtrans-49.2132.9173.3-2834.7000109.8V113 A137V113-P135 WeakPolarHBondContact O-CB 3.35Å; V113-P135 WeakPolarHBondContact O-CG 3.46Å; P135-A137 PolarHBondContact O-N 2.97Å
136K60.8Low61Low192 Ų192122.3 Ų122.384%0.83562%0.624SS**PPolyproline II helixtrans-59.2128.2169.2-69.4177.4-178.2172.40106.8Q134 Y138Q134-K136 PolarHBondContact O-N 2.91Å; K136-Y138 PolarHBondContact O-N 2.87Å
137A57.3Low60.3Low96 Ų96125.2 Ų125.279%0.79363%0.626SS**PPolyproline II helixtrans-47.9122.8175.800000108.7P135 R139P135-A137 PolarHBondContact O-N 2.97Å; A137-R139 VanDerWaalsContact C-N 3.28Å; A137-R139 PolarHBondContact O-N 2.83Å
138Y56.4Low59.4Low94 Ų94122 Ų12237%0.36962%0.624SS.*  trans-63.395.5177.8-176.7-92.5000107.6D103 F109 K136 R140D103-Y138 VanDerWaalsContact CG-OH 3.23Å; D103-Y138 PolarHBondContact OD1-OH 3.1Å; D103-Y138 PolarHBondContact OD2-OH 3.22Å; F109-Y138 HydrophobicContact CE2-CD2 4.45Å; F109-Y138 AromaticContact CE2-CE2 3.98Å; F109-Y138 HydrophobicContact CE2-CE2 3.98Å; F109-Y138 HydrophobicContact CZ-CE2 4.36Å; K136-Y138 PolarHBondContact O-N 2.87Å; Y138-R140 HydrophobicContact CD1-CG 4.23Å; Y138-R140 HydrophobicContact CE1-CG 3.86Å; Y138-R140 PolarHBondContact O-N 3.49Å
139R59.4Low58.7Low219 Ų219128 Ų12883%0.82665%0.646SS**  trans-81102.2175.7-165.9179.3-170.7170.12.2104.8A137 D141A137-R139 VanDerWaalsContact C-N 3.28Å; A137-R139 PolarHBondContact O-N 2.83Å; R139-D141 PolarHBondContact O-N 3.45Å
140R54Low57.8Low147 Ų147127.1 Ų127.156%0.55564%0.638SS**  trans-46.9111.7169.4-84-175169.3174.7-2.4108D100 Y138 R142D100-R140 IonicContact OD2-CZ 3.28Å; D100-R140 IonicContact OD2-NE 2.77Å; D100-R140 IonicContact OD2-NH2 3.49Å; D100-R140 PolarHBondContact OD2-NH2 2.76Å; Y138-R140 HydrophobicContact CD1-CG 4.23Å; Y138-R140 HydrophobicContact CE1-CG 3.86Å; Y138-R140 PolarHBondContact O-N 3.49Å; R140-R142 PolarHBondContact O-N 3.47Å
141D58.1Low57.1Low120 Ų120128.2 Ų128.264%0.64265%0.648SS**  trans-63.6108.4168.8-71.2-36.9000105.5R139 S143 S144R139-D141 PolarHBondContact O-N 3.45Å; D141-S143 PolarHBondContact O-N 3.42Å; D141-S144 PolarHBondContact O-N 3.27Å
142R55.2Low56.5Low229 Ų229129.5 Ų129.586%0.86466%0.659SS**G310 helixtrans-59.3-4.5178.9-73-174.5-178.7-173.4-0112.9R140 S144 A145R140-R142 PolarHBondContact O-N 3.47Å; R142-S144 PolarHBondContact O-N 3.46Å; R142-A145 PolarHBondContact O-N 3.21Å
143S56.6Low56.4Low103 Ų103134.1 Ų134.172%0.7268%0.68SS**G310 helixtrans-58.1-24.4176.1-171.70000113.8D141 A145D141-S143 PolarHBondContact O-N 3.42Å; S143-A145 VanDerWaalsContact C-N 3.31Å; S143-A145 PolarHBondContact O-N 2.85Å
144S55.2Low55.9Low95 Ų95137.8 Ų137.866%0.66469%0.692SS**G310 helixtrans-78.8-13.1-178.6-51.30000114D141 R142 D146 R147D141-S144 PolarHBondContact O-N 3.27Å; R142-S144 PolarHBondContact O-N 3.46Å; S144-D146 PolarHBondContact O-N 3.44Å; S144-R147 PolarHBondContact O-N 3.22Å
145A55Low55.7Low74 Ų74138.7 Ų138.761%0.61271%0.706SS**G310 helixtrans-66.2-19.3176.400000112.7R142 S143 R147R142-A145 PolarHBondContact O-N 3.21Å; S143-A145 VanDerWaalsContact C-N 3.31Å; S143-A145 PolarHBondContact O-N 2.85Å; A145-R147 VanDerWaalsContact C-N 3.31Å; A145-R147 PolarHBondContact O-N 3.24Å
146D54.6Low55.6Low131 Ų131145.1 Ų145.170%0.70173%0.732SS**G310 helixtrans-78.3-14.3-177-136.47.7000113.3S144 S148S144-D146 PolarHBondContact O-N 3.44Å; D146-S148 VanDerWaalsContact C-N 3.31Å; D146-S148 PolarHBondContact O-N 3.41Å
147R54.5Low55.2Low215 Ų215141.3 Ų141.381%0.81172%0.721SS**G310 helixtrans-75.5-15.7176.5-77.8-170.3178.2-1681.1114S144 A145 K149 M150S144-R147 PolarHBondContact O-N 3.22Å; A145-R147 VanDerWaalsContact C-N 3.31Å; A145-R147 PolarHBondContact O-N 3.24Å; R147-K149 PolarHBondContact O-N 3.43Å; R147-M150 PolarHBondContact O-N 3.43Å
148S54.1Low54.9Low98 Ų98143.4 Ų143.469%0.68572%0.718SS**G310 helixtrans-73.8-7.5-178.9860000113.9D146D146-S148 VanDerWaalsContact C-N 3.31Å; D146-S148 PolarHBondContact O-N 3.41Å
149K55.6Low55.1Low177 Ų177142.7 Ų142.777%0.7773%0.727SS**G310 helixtrans-91.5-9.5176.6-76.6-170.6177.8-179.20114.9R147R147-K149 PolarHBondContact O-N 3.43Å
150M52.2Low54.7Low160 Ų160138.5 Ų138.579%0.78872%0.72SS**SBendtrans-93.5-9.1-173.8-148.880.8109.600114.7R147R147-M150 PolarHBondContact O-N 3.43Å
151N52.8Low54.8Low138 Ų138138 Ų13874%0.73873%0.727SS**SBendtrans-103.49.8-171.3-86.48.6000115.6D153N151-D153 VanDerWaalsContact C-N 3.31Å
152N54.2Low54.5Low148 Ų148141.4 Ų141.479%0.79174%0.74SS**SBendtrans-85.2-1175.6-76.9-7.4000114M154N152-M154 PolarHBondContact O-N 3.49Å
153D55.1Low54.6Low157 Ų157136.5 Ų136.584%0.8474%0.735SS**  trans-100.959.7174.6-67-28.6000110.8N151 P155N151-D153 VanDerWaalsContact C-N 3.31Å; D153-P155 WeakPolarHBondContact O-CD 3.45Å
154M51.8Low54.3Low156 Ų156141.1 Ų141.177%0.76874%0.743SS**  trans-98.4107167.1-166.392.2163.700107.9N152 H156N152-M154 PolarHBondContact O-N 3.49Å; M154-H156 PolarHBondContact O-N 2.93Å
155P57.1Low54.1Low115 Ų115145.8 Ų145.875%0.74775%0.754SS**  trans-64.1120.7177.324.2-30.8000109.7D153 D157D153-P155 WeakPolarHBondContact O-CD 3.45Å; P155-D157 VanDerWaalsContact C-N 3.33Å; P155-D157 PolarHBondContact O-N 3.19Å
156H57.8Low53.9Low184 Ų184151.2 Ų151.285%0.85277%0.767SS**  trans-66.688.5171.5-68-84.8000109.6M154M154-H156 PolarHBondContact O-N 2.93Å
157D52.2Low53.6Low112 Ų112154.5 Ų154.560%0.59980%0.8SS**  trans-121.375.5163-162.13.7000109.5P155 S159P155-D157 VanDerWaalsContact C-N 3.33Å; P155-D157 PolarHBondContact O-N 3.19Å; D157-S159 VanDerWaalsContact C-N 3.26Å; D157-S159 WeakPolarHBondContact OD1-CB 3.42Å; D157-S159 PolarHBondContact OD1-OG 3.43Å
158L52Low53.6Low139 Ų139151.5 Ų151.573%0.72880%0.799SS**  trans-93.827.7173.6-65.8176.5000111.4N160L158-N160 VanDerWaalsContact C-N 3.32Å; L158-N160 PolarHBondContact O-N 3.3Å
159S59.4Low53.5Low80 Ų80154.3 Ų154.356%0.55981%0.805SS**THydrogen-bonded Turntrans-80.5-5.3-175.663.70000114.8D157D157-S159 VanDerWaalsContact C-N 3.26Å; D157-S159 WeakPolarHBondContact OD1-CB 3.42Å; D157-S159 PolarHBondContact OD1-OG 3.43Å
160N51.6Low53.4Low130 Ų130153 Ų15370%0.69581%0.807SS**THydrogen-bonded Turntrans-109.711.9-170.2-65.6-48000116L158L158-N160 VanDerWaalsContact C-N 3.32Å; L158-N160 PolarHBondContact O-N 3.3Å
161I55.5Low53.5Low136 Ų136152.6 Ų152.670%0.69781%0.808SS**SBendtrans-100.1-13.3-177.4-54.3-178.7000113.4T163I161-T163 PolarHBondContact O-N 2.61Å
162E52.7Low53.5Low193 Ų193153.5 Ų153.590%0.90281%0.813SS**THydrogen-bonded Turntrans-83.55.4-174.6-71.3-168.4156.300116.2
163T56.4Low53.5Low126 Ų126153.9 Ų153.977%0.77381%0.814SS**THydrogen-bonded Turntrans-97.51.4-173.8-41.50000115.6I161I161-T163 PolarHBondContact O-N 2.61Å
164F51Low53.4Low200 Ų200153.6 Ų153.688%0.87781%0.812SS**SBendtrans-1015.1-171.4-122.8-88.9000117.5
165E51.5Low53.5Low193 Ų193153.5 Ų153.590%0.90282%0.816SS**SBendtrans-111.420.3-176.9-76.2-129.2142.200116
166Q50.7Low53.2Low187 Ų187156.7 Ų156.787%0.87482%0.821SS**  trans-132.473172-69.9-171.1-9.400112.8
167S47.4Very low52.8Low200 Ų200154.2 Ų154.2100%1.39982%0.819SS**  trans-166.10151.3-80.30000111.5

Retrieved 167 of 167 residues in 33.2 ms (Link to these results)