A0A3Q0KV28_SCHMA Loading...

Smp_202920

AlphaFold DB , UniProt , Accession A0A3Q0KV28, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 106 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
1M50.1Low73.6Confident212 Ų212130.5 Ų130.5100%1.04464%0.643SS**  0104.20-77.8-175.9170.600108.2Y3M1-Y3 PolarHBondContact O-N 3.37Å
2H58Low74.3Confident202 Ų202123.9 Ų123.994%0.93562%0.616SS**  trans-77102.4173-109.2-70.4000108
3Y64.9Low74.8Confident156 Ų156123.9 Ų123.961%0.61261%0.61SS**  trans-67.6136166-68-77.3000108.3M1M1-Y3 PolarHBondContact O-N 3.37Å
4S77.6Confident75.6Confident55 Ų55118.5 Ų118.539%0.38559%0.59SS.*  trans-63.3146.5170.271.10000109.1K6 Q7 F8S4-K6 PolarHBondContact O-N 3.28Å; S4-K6 VanDerWaalsContact O-N 3.09Å; S4-Q7 WeakPolarHBondContact O-CB 3.45Å; S4-Q7 PolarHBondContact O-N 3.13Å; S4-Q7 WeakPolarHBondContact OG-CG 3.41Å; S4-Q7 PolarHBondContact OG-N 3.26Å; S4-F8 PolarHBondContact O-N 3.13Å; S4-F8 VanDerWaalsContact O-N 3.08Å
5T78.3Confident76.2Confident128 Ų128115.6 Ų115.679%0.78558%0.577SS**Hα-helixtrans-52.7-32.7175.746.60000112.2F8 G9T5-F8 PolarHBondContact O-N 3.15Å; T5-G9 PolarHBondContact O-N 3.33Å
6K78.3Confident76.7Confident171 Ų171113.6 Ų113.674%0.74357%0.567SS**Hα-helixtrans-62.3-45.4173.6-64.9-175.3179-178.30112.9S4 G9 L10S4-K6 PolarHBondContact O-N 3.28Å; S4-K6 VanDerWaalsContact O-N 3.09Å; K6-G9 PolarHBondContact O-N 3.27Å; K6-L10 WeakPolarHBondContact O-CG 3.47Å; K6-L10 PolarHBondContact O-N 2.97Å
7Q80.4Confident77.1Confident107 Ų107111.2 Ų111.250%0.556%0.556SS.*Hα-helixtrans-67.4-39.2178.2-74.6168.9-22.800111.7S4 G9 L10 F11S4-Q7 WeakPolarHBondContact O-CB 3.45Å; S4-Q7 PolarHBondContact O-N 3.13Å; S4-Q7 WeakPolarHBondContact OG-CG 3.41Å; S4-Q7 PolarHBondContact OG-N 3.26Å; Q7-G9 VanDerWaalsContact C-N 3.35Å; Q7-L10 PolarHBondContact O-N 3.29Å; Q7-F11 WeakPolarHBondContact O-CB 3.42Å; Q7-F11 PolarHBondContact O-N 3.46Å
8F76.6Confident77.4Confident129 Ų129107.1 Ų107.157%0.56654%0.536SS*.Hα-helixtrans-63.7-41.8175.5-172.4-100.6000111.4S4 T5 F11 T12S4-F8 PolarHBondContact O-N 3.13Å; S4-F8 VanDerWaalsContact O-N 3.08Å; T5-F8 PolarHBondContact O-N 3.15Å; F8-F11 WeakPolarHBondContact O-CB 3.33Å; F8-F11 PolarHBondContact O-N 3.47Å; F8-T12 HydrophobicContact CD1-CG2 4.18Å; F8-T12 HydrophobicContact CE1-CG2 3.77Å; F8-T12 HydrophobicContact CZ-CG2 3.97Å; F8-T12 WeakPolarHBondContact O-CG2 3.39Å; F8-T12 PolarHBondContact O-N 2.89Å; F8-T12 PolarHBondContact O-OG1 3.14Å
9G81.5Confident77.8Confident32 Ų32106.3 Ų106.333%0.3353%0.533SS..Hα-helixtrans-62.8-41.7175.100000113.8T5 K6 Q7 F11 T12 F13T5-G9 PolarHBondContact O-N 3.33Å; K6-G9 PolarHBondContact O-N 3.27Å; Q7-G9 VanDerWaalsContact C-N 3.35Å; G9-F11 VanDerWaalsContact C-N 3.34Å; G9-T12 WeakPolarHBondContact CA-OG1 3.4Å; G9-T12 PolarHBondContact O-OG1 2.99Å; G9-F13 VanDerWaalsContact O-CB 3.27Å; G9-F13 WeakPolarHBondContact O-CB 3.45Å; G9-F13 PolarHBondContact O-N 2.99Å
10L84.5Confident78.1Confident122 Ų122106 Ų10664%0.63953%0.53SS*.Hα-helixtrans-65.5-38.8174.4-72.6172000111.9K6 Q7 F13 S14K6-L10 WeakPolarHBondContact O-CG 3.47Å; K6-L10 PolarHBondContact O-N 2.97Å; Q7-L10 PolarHBondContact O-N 3.29Å; L10-F13 PolarHBondContact O-N 3.22Å; L10-S14 WeakPolarHBondContact O-CB 3.48Å; L10-S14 PolarHBondContact O-N 3.45Å; L10-S14 PolarHBondContact O-OG 2.97Å
11F79.4Confident78.2Confident122 Ų122104.2 Ų104.254%0.53552%0.522SS..Hα-helixtrans-63.7-48.7176.5178.6-105.5000111.6Q7 F8 G9 F13 S14 I15Q7-F11 WeakPolarHBondContact O-CB 3.42Å; Q7-F11 PolarHBondContact O-N 3.46Å; F8-F11 WeakPolarHBondContact O-CB 3.33Å; F8-F11 PolarHBondContact O-N 3.47Å; G9-F11 VanDerWaalsContact C-N 3.34Å; F11-F13 PolarHBondContact O-N 3.07Å; F11-S14 PolarHBondContact O-N 3.47Å; F11-S14 PolarHBondContact O-OG 3.36Å; F11-I15 HydrophobicContact CD1-CD1 3.79Å; F11-I15 HydrophobicContact CD2-CD1 4.49Å; F11-I15 HydrophobicContact CE1-CD1 3.3Å; F11-I15 HydrophobicContact CE1-CG1 4.49Å; F11-I15 HydrophobicContact CE2-CD1 4.08Å; F11-I15 HydrophobicContact CG-CD1 4.38Å; F11-I15 HydrophobicContact CZ-CD1 3.47Å; F11-I15 VanDerWaalsContact CZ-CD1 3.47Å; F11-I15 HydrophobicContact CZ-CG1 4.41Å; F11-I15 WeakPolarHBondContact O-CG1 3.26Å; F11-I15 PolarHBondContact O-N 3.2Å
12T81.9Confident79.6Confident51 Ų5199.7 Ų99.731%0.31349%0.493SS..Hα-helixtrans-63-42.1176.853.10000111.7F8 G9 S14 I15 I16F8-T12 HydrophobicContact CD1-CG2 4.18Å; F8-T12 HydrophobicContact CE1-CG2 3.77Å; F8-T12 HydrophobicContact CZ-CG2 3.97Å; F8-T12 WeakPolarHBondContact O-CG2 3.39Å; F8-T12 PolarHBondContact O-N 2.89Å; F8-T12 PolarHBondContact O-OG1 3.14Å; G9-T12 WeakPolarHBondContact CA-OG1 3.4Å; G9-T12 PolarHBondContact O-OG1 2.99Å; T12-S14 VanDerWaalsContact C-N 3.35Å; T12-S14 PolarHBondContact O-N 3.47Å; T12-I15 PolarHBondContact O-N 2.98Å; T12-I16 VanDerWaalsContact O-CG1 3.26Å; T12-I16 WeakPolarHBondContact O-CG1 3.47Å; T12-I16 PolarHBondContact O-N 3.26Å
13F81.4Confident80.6Confident124 Ų12495.5 Ų95.554%0.54448%0.477SS..Hα-helixtrans-60.3-42.7175.6-173.7-109.8000112.3G9 L10 F11 I15 I16 I17G9-F13 VanDerWaalsContact O-CB 3.27Å; G9-F13 WeakPolarHBondContact O-CB 3.45Å; G9-F13 PolarHBondContact O-N 2.99Å; L10-F13 PolarHBondContact O-N 3.22Å; F11-F13 PolarHBondContact O-N 3.07Å; F13-I15 VanDerWaalsContact C-N 3.34Å; F13-I15 PolarHBondContact O-N 2.9Å; F13-I16 PolarHBondContact O-N 3.2Å; F13-I17 HydrophobicContact CD1-CD1 3.55Å; F13-I17 HydrophobicContact CD1-CG1 4.42Å; F13-I17 HydrophobicContact CE1-CD1 3.16Å; F13-I17 HydrophobicContact CE1-CG1 4.17Å; F13-I17 HydrophobicContact CE2-CD1 4.32Å; F13-I17 HydrophobicContact CG-CD1 4.3Å; F13-I17 HydrophobicContact CZ-CD1 3.59Å; F13-I17 HydrophobicContact CZ-CG1 4.22Å; F13-I17 WeakPolarHBondContact O-CG1 3.31Å; F13-I17 PolarHBondContact O-N 3.23Å
14S85.2Confident81.4Confident48 Ų4892.1 Ų92.134%0.33647%0.466SS..Hα-helixtrans-62.4-4017670.80000112.4L10 F11 T12 I17 I18L10-S14 WeakPolarHBondContact O-CB 3.48Å; L10-S14 PolarHBondContact O-N 3.45Å; L10-S14 PolarHBondContact O-OG 2.97Å; F11-S14 PolarHBondContact O-N 3.47Å; F11-S14 PolarHBondContact O-OG 3.36Å; T12-S14 VanDerWaalsContact C-N 3.35Å; T12-S14 PolarHBondContact O-N 3.47Å; S14-I17 PolarHBondContact O-N 3.45Å; S14-I18 WeakPolarHBondContact O-CB 3.36Å; S14-I18 WeakPolarHBondContact O-CD1 3.49Å; S14-I18 WeakPolarHBondContact O-CG1 3.41Å; S14-I18 PolarHBondContact O-N 2.94Å
15I85.7Confident81.6Confident75 Ų7594 Ų9439%0.38547%0.468SS..Hα-helixtrans-65.1-43.3174.9-68.4168.7000110.7F11 T12 F13 I17 I18 L19F11-I15 HydrophobicContact CD1-CD1 3.79Å; F11-I15 HydrophobicContact CD2-CD1 4.49Å; F11-I15 HydrophobicContact CE1-CD1 3.3Å; F11-I15 HydrophobicContact CE1-CG1 4.49Å; F11-I15 HydrophobicContact CE2-CD1 4.08Å; F11-I15 HydrophobicContact CG-CD1 4.38Å; F11-I15 HydrophobicContact CZ-CD1 3.47Å; F11-I15 VanDerWaalsContact CZ-CD1 3.47Å; F11-I15 HydrophobicContact CZ-CG1 4.41Å; F11-I15 WeakPolarHBondContact O-CG1 3.26Å; F11-I15 PolarHBondContact O-N 3.2Å; T12-I15 PolarHBondContact O-N 2.98Å; F13-I15 VanDerWaalsContact C-N 3.34Å; F13-I15 PolarHBondContact O-N 2.9Å; I15-I17 VanDerWaalsContact C-N 3.34Å; I15-I17 PolarHBondContact O-N 3.26Å; I15-I18 PolarHBondContact O-N 2.94Å; I15-L19 VanDerWaalsContact O-CB 3.28Å; I15-L19 WeakPolarHBondContact O-CB 3.47Å; I15-L19 PolarHBondContact O-N 3.45Å
16I83.6Confident81.6Confident83 Ų8392.8 Ų92.843%0.42646%0.456SS..Hα-helixtrans-61.6-44.2178.7-69.1164.7000110.3T12 F13 L19 H20T12-I16 VanDerWaalsContact O-CG1 3.26Å; T12-I16 WeakPolarHBondContact O-CG1 3.47Å; T12-I16 PolarHBondContact O-N 3.26Å; F13-I16 PolarHBondContact O-N 3.2Å; I16-L19 PolarHBondContact O-N 3Å; I16-H20 WeakPolarHBondContact CG2-ND1 3.36Å; I16-H20 WeakPolarHBondContact O-CB 3.35Å; I16-H20 PolarHBondContact O-N 3.42Å; I16-H20 PolarHBondContact O-ND1 3.47Å
17I83.5Confident81.7Confident73 Ų7390.7 Ų90.737%0.37445%0.449SS..Hα-helixtrans-61.3-48.2175.5-71.4169.1000110.6F13 S14 I15 L19 H20 L21F13-I17 HydrophobicContact CD1-CD1 3.55Å; F13-I17 HydrophobicContact CD1-CG1 4.42Å; F13-I17 HydrophobicContact CE1-CD1 3.16Å; F13-I17 HydrophobicContact CE1-CG1 4.17Å; F13-I17 HydrophobicContact CE2-CD1 4.32Å; F13-I17 HydrophobicContact CG-CD1 4.3Å; F13-I17 HydrophobicContact CZ-CD1 3.59Å; F13-I17 HydrophobicContact CZ-CG1 4.22Å; F13-I17 WeakPolarHBondContact O-CG1 3.31Å; F13-I17 PolarHBondContact O-N 3.23Å; S14-I17 PolarHBondContact O-N 3.45Å; I15-I17 VanDerWaalsContact C-N 3.34Å; I15-I17 PolarHBondContact O-N 3.26Å; I17-L19 VanDerWaalsContact C-N 3.28Å; I17-L19 PolarHBondContact O-N 2.96Å; I17-H20 PolarHBondContact O-N 3.45Å; I17-L21 HydrophobicContact CG2-CD1 3.83Å; I17-L21 HydrophobicContact CG2-CG 4.22Å; I17-L21 WeakPolarHBondContact O-CB 3.41Å; I17-L21 WeakPolarHBondContact O-CG 3.45Å; I17-L21 PolarHBondContact O-N 3.18Å
18I83Confident81.4Confident38 Ų3888 Ų8820%0.19544%0.437CS..Hα-helixtrans-60.6-41.9179.3-69.2164000110.5S14 I15 L21 Y22 Y76S14-I18 WeakPolarHBondContact O-CB 3.36Å; S14-I18 WeakPolarHBondContact O-CD1 3.49Å; S14-I18 WeakPolarHBondContact O-CG1 3.41Å; S14-I18 PolarHBondContact O-N 2.94Å; I15-I18 PolarHBondContact O-N 2.94Å; I18-L21 PolarHBondContact O-N 2.98Å; I18-Y22 WeakPolarHBondContact O-CB 3.33Å; I18-Y22 PolarHBondContact O-N 3.41Å; I18-Y76 HydrophobicContact CD1-CE2 4.22Å; I18-Y76 HydrophobicContact CG2-CE1 4.19Å; I18-Y76 HydrophobicContact CG2-CE2 4.29Å
19L84Confident81.5Confident92 Ų9287.6 Ų87.648%0.48244%0.437SS..Hα-helixtrans-65.2-42.5177.4-174.764.8000111.5I15 I16 I17 Y22 L23I15-L19 VanDerWaalsContact O-CB 3.28Å; I15-L19 WeakPolarHBondContact O-CB 3.47Å; I15-L19 PolarHBondContact O-N 3.45Å; I16-L19 PolarHBondContact O-N 3Å; I17-L19 VanDerWaalsContact C-N 3.28Å; I17-L19 PolarHBondContact O-N 2.96Å; L19-Y22 PolarHBondContact O-N 3.49Å; L19-L23 HydrophobicContact CD1-CD1 4.43Å; L19-L23 HydrophobicContact CD1-CG 4.45Å; L19-L23 HydrophobicContact CG-CD1 4.08Å; L19-L23 WeakPolarHBondContact O-CB 3.38Å; L19-L23 WeakPolarHBondContact O-CG 3.43Å; L19-L23 PolarHBondContact O-N 2.96Å
20H84.4Confident81.5Confident100 Ų10090.6 Ų90.646%0.46345%0.445SS..Hα-helixtrans-61.5-50.3174.1-82.772.4000111.1I16 I17 Y22 L23 F24I16-H20 WeakPolarHBondContact CG2-ND1 3.36Å; I16-H20 WeakPolarHBondContact O-CB 3.35Å; I16-H20 PolarHBondContact O-N 3.42Å; I16-H20 PolarHBondContact O-ND1 3.47Å; I17-H20 PolarHBondContact O-N 3.45Å; H20-Y22 PolarHBondContact O-N 3.33Å; H20-L23 PolarHBondContact O-N 3.21Å; H20-F24 WeakPolarHBondContact O-CB 3.47Å; H20-F24 VanDerWaalsContact O-CD2 3.23Å; H20-F24 WeakPolarHBondContact O-CD2 3.43Å; H20-F24 PolarHBondContact O-N 3.37Å
21L79.3Confident81.4Confident69 Ų6991.8 Ų91.836%0.36144%0.442SS..Hα-helixtrans-58.6-33.2177.5-70.2174.5000112.1I17 I18 K25 I28 L69I17-L21 HydrophobicContact CG2-CD1 3.83Å; I17-L21 HydrophobicContact CG2-CG 4.22Å; I17-L21 WeakPolarHBondContact O-CB 3.41Å; I17-L21 WeakPolarHBondContact O-CG 3.45Å; I17-L21 PolarHBondContact O-N 3.18Å; I18-L21 PolarHBondContact O-N 2.98Å; L21-K25 WeakPolarHBondContact O-CA 3.47Å; L21-K25 WeakPolarHBondContact O-CB 3.33Å; L21-K25 PolarHBondContact O-N 3.4Å; L21-K25 VanDerWaalsContact O-N 3.16Å; L21-I28 HydrophobicContact CD2-CD1 3.71Å; L21-L69 HydrophobicContact CD1-CD2 4.23Å
22Y79.4Confident81.2Confident116 Ų11687.8 Ų87.846%0.45543%0.425SS..Hα-helixtrans-73-47.6176.3-178.6-117.3000113.2I18 L19 H20 F24 K25 W73I18-Y22 WeakPolarHBondContact O-CB 3.33Å; I18-Y22 PolarHBondContact O-N 3.41Å; L19-Y22 PolarHBondContact O-N 3.49Å; H20-Y22 PolarHBondContact O-N 3.33Å; Y22-F24 VanDerWaalsContact C-N 3.26Å; Y22-F24 PolarHBondContact O-N 3.03Å; Y22-K25 HydrophobicContact CD2-CD 4.43Å; Y22-K25 HydrophobicContact CE2-CD 4.49Å; Y22-K25 PolarHBondContact O-N 2.91Å; Y22-W73 AromaticContact CD2-CH2 3.08Å; Y22-W73 HydrophobicContact CD2-CH2 3.08Å; Y22-W73 AromaticContact CD2-CZ2 3.94Å; Y22-W73 HydrophobicContact CD2-CZ2 3.94Å; Y22-W73 AromaticContact CD2-CZ3 3.69Å; Y22-W73 HydrophobicContact CD2-CZ3 3.69Å; Y22-W73 AromaticContact CE2-CH2 3.43Å; Y22-W73 HydrophobicContact CE2-CH2 3.43Å; Y22-W73 VanDerWaalsContact CE2-CH2 3.43Å; Y22-W73 AromaticContact CE2-CZ2 3.92Å; Y22-W73 HydrophobicContact CE2-CZ2 3.92Å; Y22-W73 HydrophobicContact CE2-CZ3 4.45Å; Y22-W73 HydrophobicContact CG-CH2 4.12Å; Y22-W73 HydrophobicContact CG-CZ3 4.43Å
23L80.3Confident81.3Confident114 Ų11489.3 Ų89.360%0.59743%0.43SS*.Hα-helixtrans-62.8-36.7-179.8-73.7171.9000111.5L19 H20L19-L23 HydrophobicContact CD1-CD1 4.43Å; L19-L23 HydrophobicContact CD1-CG 4.45Å; L19-L23 HydrophobicContact CG-CD1 4.08Å; L19-L23 WeakPolarHBondContact O-CB 3.38Å; L19-L23 WeakPolarHBondContact O-CG 3.43Å; L19-L23 PolarHBondContact O-N 2.96Å; H20-L23 PolarHBondContact O-N 3.21Å
24F81Confident81.4Confident85 Ų8588.2 Ų88.237%0.37343%0.427SS..THydrogen-bonded Turntrans-10215.3-176.5-62.9-70.5000113.4H20 Y22 D26 E27 I28H20-F24 WeakPolarHBondContact O-CB 3.47Å; H20-F24 VanDerWaalsContact O-CD2 3.23Å; H20-F24 WeakPolarHBondContact O-CD2 3.43Å; H20-F24 PolarHBondContact O-N 3.37Å; Y22-F24 VanDerWaalsContact C-N 3.26Å; Y22-F24 PolarHBondContact O-N 3.03Å; F24-D26 PolarHBondContact O-N 3.34Å; F24-D26 VanDerWaalsContact O-N 3.15Å; F24-E27 HydrophobicContact CD1-CG 4.47Å; F24-E27 WeakPolarHBondContact CD1-OE2 3.3Å; F24-E27 PolarHBondContact O-N 3.49Å; F24-E27 VanDerWaalsContact O-N 3.14Å; F24-I28 HydrophobicContact CB-CD1 4.12Å; F24-I28 HydrophobicContact CB-CG1 4.3Å; F24-I28 WeakPolarHBondContact O-CB 3.39Å; F24-I28 WeakPolarHBondContact O-CD1 3.4Å; F24-I28 WeakPolarHBondContact O-CG1 3.49Å; F24-I28 PolarHBondContact O-N 2.91Å
25K81.5Confident81Confident96 Ų9688.2 Ų88.242%0.41742%0.423SS..Hα-helixtrans-54.1-39.5-175.473.7-175.3-176.3177.90112.9L21 Y22 Q29L21-K25 WeakPolarHBondContact O-CA 3.47Å; L21-K25 WeakPolarHBondContact O-CB 3.33Å; L21-K25 PolarHBondContact O-N 3.4Å; L21-K25 VanDerWaalsContact O-N 3.16Å; Y22-K25 HydrophobicContact CD2-CD 4.43Å; Y22-K25 HydrophobicContact CE2-CD 4.49Å; Y22-K25 PolarHBondContact O-N 2.91Å; K25-Q29 WeakPolarHBondContact O-CB 3.39Å; K25-Q29 PolarHBondContact O-N 3.19Å
26D78.5Confident80.7Confident102 Ų10291.4 Ų91.455%0.54543%0.431SS..Hα-helixtrans-76.7-37.7-175.8-60.7-37.2000110.3F24 Q29 L30F24-D26 PolarHBondContact O-N 3.34Å; F24-D26 VanDerWaalsContact O-N 3.15Å; D26-Q29 PolarHBondContact O-N 3.36Å; D26-L30 WeakPolarHBondContact O-CB 3.48Å; D26-L30 PolarHBondContact O-N 3.33Å
27E79.8Confident80.6Confident126 Ų12691.3 Ų91.359%0.58943%0.431SS*.Hα-helixtrans-67.1-41.3173.7-65.8-176.4-16700111.7F24 Q29 L30 Y31F24-E27 HydrophobicContact CD1-CG 4.47Å; F24-E27 WeakPolarHBondContact CD1-OE2 3.3Å; F24-E27 PolarHBondContact O-N 3.49Å; F24-E27 VanDerWaalsContact O-N 3.14Å; E27-Q29 VanDerWaalsContact C-N 3.34Å; E27-L30 PolarHBondContact O-N 3.03Å; E27-Y31 VanDerWaalsContact O-CB 3.32Å; E27-Y31 WeakPolarHBondContact O-CB 3.49Å; E27-Y31 PolarHBondContact O-N 3.37Å
28I75.9Confident80.5Confident50 Ų5093.4 Ų93.426%0.25644%0.439SS..Hα-helixtrans-60.9-46.7174.6-68.3164.5000109.3L21 F24 L30 Y31 F32L21-I28 HydrophobicContact CD2-CD1 3.71Å; F24-I28 HydrophobicContact CB-CD1 4.12Å; F24-I28 HydrophobicContact CB-CG1 4.3Å; F24-I28 WeakPolarHBondContact O-CB 3.39Å; F24-I28 WeakPolarHBondContact O-CD1 3.4Å; F24-I28 WeakPolarHBondContact O-CG1 3.49Å; F24-I28 PolarHBondContact O-N 2.91Å; I28-L30 PolarHBondContact O-N 3.26Å; I28-Y31 WeakPolarHBondContact O-CB 3.5Å; I28-Y31 PolarHBondContact O-N 2.96Å; I28-F32 HydrophobicContact CG2-CD2 3.65Å; I28-F32 HydrophobicContact CG2-CE2 3.46Å; I28-F32 VanDerWaalsContact CG2-CE2 3.46Å; I28-F32 WeakPolarHBondContact O-CD2 3.45Å; I28-F32 PolarHBondContact O-N 3.21Å
29Q78.7Confident80Confident121 Ų12192.9 Ų92.957%0.56544%0.438SS*.Hα-helixtrans-60.5-45176.6-175.4176-8.400111.6K25 D26 E27 Y31 F32 I33K25-Q29 WeakPolarHBondContact O-CB 3.39Å; K25-Q29 PolarHBondContact O-N 3.19Å; D26-Q29 PolarHBondContact O-N 3.36Å; E27-Q29 VanDerWaalsContact C-N 3.34Å; Q29-Y31 VanDerWaalsContact C-N 3.35Å; Q29-Y31 PolarHBondContact O-N 2.95Å; Q29-F32 PolarHBondContact O-N 3.31Å; Q29-I33 HydrophobicContact CG-CD1 4.11Å; Q29-I33 VanDerWaalsContact O-CG1 3.32Å; Q29-I33 WeakPolarHBondContact O-CG1 3.4Å; Q29-I33 PolarHBondContact O-N 3.33Å
30L81.6Confident79.7Confident96 Ų9691.4 Ų91.450%0.50343%0.43SS..Hα-helixtrans-62.3-42.5176.9-173.369.2000111.7D26 E27 I28 F32 I33 Q34D26-L30 WeakPolarHBondContact O-CB 3.48Å; D26-L30 PolarHBondContact O-N 3.33Å; E27-L30 PolarHBondContact O-N 3.03Å; I28-L30 PolarHBondContact O-N 3.26Å; L30-F32 VanDerWaalsContact C-N 3.35Å; L30-F32 PolarHBondContact O-N 3.07Å; L30-I33 PolarHBondContact O-N 2.9Å; L30-Q34 WeakPolarHBondContact O-CG 3.29Å; L30-Q34 PolarHBondContact O-N 3.03Å
31Y80.6Confident79.4Confident146 Ų14693.6 Ų93.657%0.57344%0.438SS*.Hα-helixtrans-59.7-44.1176.2-179.9-95.4000111.5E27 I28 Q29 Q34 L35E27-Y31 VanDerWaalsContact O-CB 3.32Å; E27-Y31 WeakPolarHBondContact O-CB 3.49Å; E27-Y31 PolarHBondContact O-N 3.37Å; I28-Y31 WeakPolarHBondContact O-CB 3.5Å; I28-Y31 PolarHBondContact O-N 2.96Å; Q29-Y31 VanDerWaalsContact C-N 3.35Å; Q29-Y31 PolarHBondContact O-N 2.95Å; Y31-Q34 PolarHBondContact O-N 3.45Å; Y31-L35 WeakPolarHBondContact O-CB 3.46Å; Y31-L35 PolarHBondContact O-N 2.97Å
32F76.3Confident79.1Confident39 Ų3992.9 Ų92.917%0.17144%0.437CS..Hα-helixtrans-66-37.7176.2-80.9-68.4000113I28 Q29 L30 L35 Y36 L65 L66I28-F32 HydrophobicContact CG2-CD2 3.65Å; I28-F32 HydrophobicContact CG2-CE2 3.46Å; I28-F32 VanDerWaalsContact CG2-CE2 3.46Å; I28-F32 WeakPolarHBondContact O-CD2 3.45Å; I28-F32 PolarHBondContact O-N 3.21Å; Q29-F32 PolarHBondContact O-N 3.31Å; L30-F32 VanDerWaalsContact C-N 3.35Å; L30-F32 PolarHBondContact O-N 3.07Å; F32-L35 HydrophobicContact CD1-CD2 4.46Å; F32-L35 PolarHBondContact O-N 3.44Å; F32-Y36 WeakPolarHBondContact O-CB 3.31Å; F32-Y36 PolarHBondContact O-N 2.96Å; F32-L65 HydrophobicContact CZ-CD2 4.34Å; F32-L66 HydrophobicContact CB-CD1 4.44Å; F32-L66 HydrophobicContact CD1-CD1 3.82Å; F32-L66 HydrophobicContact CD1-CD2 4.19Å; F32-L66 HydrophobicContact CD1-CG 4.13Å; F32-L66 HydrophobicContact CD2-CD2 3.55Å; F32-L66 HydrophobicContact CD2-CG 4.37Å; F32-L66 HydrophobicContact CE1-CD1 4.16Å; F32-L66 HydrophobicContact CE1-CD2 4.17Å; F32-L66 HydrophobicContact CE1-CG 4.01Å; F32-L66 HydrophobicContact CE2-CD2 3.52Å; F32-L66 HydrophobicContact CE2-CG 4.26Å; F32-L66 HydrophobicContact CG-CD1 4.04Å; F32-L66 HydrophobicContact CG-CD2 3.91Å; F32-L66 HydrophobicContact CG-CG 4.32Å; F32-L66 HydrophobicContact CZ-CD2 3.85Å; F32-L66 HydrophobicContact CZ-CG 4.08Å
33I83.1Confident78.7Confident83 Ų8391.5 Ų91.543%0.42643%0.433SS..Hα-helixtrans-64-43.1174-67.8164.6000110.5Q29 L30 Y36 N37Q29-I33 HydrophobicContact CG-CD1 4.11Å; Q29-I33 VanDerWaalsContact O-CG1 3.32Å; Q29-I33 WeakPolarHBondContact O-CG1 3.4Å; Q29-I33 PolarHBondContact O-N 3.33Å; L30-I33 PolarHBondContact O-N 2.9Å; I33-Y36 PolarHBondContact O-N 3.41Å; I33-N37 WeakPolarHBondContact O-CB 3.47Å; I33-N37 VanDerWaalsContact O-CG 3.29Å; I33-N37 PolarHBondContact O-N 2.85Å; I33-N37 PolarHBondContact O-ND2 3.28Å
34Q83.6Confident78.2Confident100 Ų10093 Ų9347%0.46744%0.437SS..Hα-helixtrans-63.9-44.3176.3-73.7179.1-3.700111.6L30 Y31 N37 Q38L30-Q34 WeakPolarHBondContact O-CG 3.29Å; L30-Q34 PolarHBondContact O-N 3.03Å; Y31-Q34 PolarHBondContact O-N 3.45Å; Q34-N37 PolarHBondContact O-N 3.38Å; Q34-Q38 WeakPolarHBondContact O-CB 3.19Å; Q34-Q38 WeakPolarHBondContact O-CG 3.3Å; Q34-Q38 PolarHBondContact O-N 3.35Å
35L78Confident77.6Confident48 Ų4896.1 Ų96.125%0.25146%0.457SS..Hα-helixtrans-58.9-50.8176.4-172.971000110.2Y31 F32 N37 Q38 T39Y31-L35 WeakPolarHBondContact O-CB 3.46Å; Y31-L35 PolarHBondContact O-N 2.97Å; F32-L35 HydrophobicContact CD1-CD2 4.46Å; F32-L35 PolarHBondContact O-N 3.44Å; L35-N37 VanDerWaalsContact C-N 3.34Å; L35-N37 PolarHBondContact O-N 2.85Å; L35-Q38 WeakPolarHBondContact O-CB 3.39Å; L35-Q38 PolarHBondContact O-N 2.94Å; L35-Q38 VanDerWaalsContact O-N 3.11Å; L35-T39 WeakPolarHBondContact O-CB 3.42Å; L35-T39 PolarHBondContact O-N 2.98Å; L35-T39 PolarHBondContact O-OG1 3.09Å
36Y77.8Confident76.9Confident143 Ų14394.6 Ų94.656%0.56145%0.451SS*.Hα-helixtrans-56-46.3177.4-178.7-101.5000112.4F32 I33 Q38 T39 I40F32-Y36 WeakPolarHBondContact O-CB 3.31Å; F32-Y36 PolarHBondContact O-N 2.96Å; I33-Y36 PolarHBondContact O-N 3.41Å; Y36-Q38 PolarHBondContact O-N 3.41Å; Y36-T39 PolarHBondContact O-N 3.35Å; Y36-I40 HydrophobicContact CD1-CD1 3.7Å; Y36-I40 HydrophobicContact CE1-CD1 3.19Å; Y36-I40 HydrophobicContact CE1-CG1 4.34Å; Y36-I40 HydrophobicContact CE2-CD1 4.24Å; Y36-I40 HydrophobicContact CG-CD1 4.42Å; Y36-I40 WeakPolarHBondContact O-CG1 3.37Å; Y36-I40 PolarHBondContact O-N 3.26Å
37N82.3Confident76.2Confident80 Ų8097.8 Ų97.843%0.42847%0.468SS..Hα-helixtrans-64.9-38.3177.4-74.7-23.1000112.6I33 Q34 L35 K41I33-N37 WeakPolarHBondContact O-CB 3.47Å; I33-N37 VanDerWaalsContact O-CG 3.29Å; I33-N37 PolarHBondContact O-N 2.85Å; I33-N37 PolarHBondContact O-ND2 3.28Å; Q34-N37 PolarHBondContact O-N 3.38Å; L35-N37 VanDerWaalsContact C-N 3.34Å; L35-N37 PolarHBondContact O-N 2.85Å; N37-K41 WeakPolarHBondContact O-CG 3.49Å; N37-K41 PolarHBondContact O-N 3.45Å; N37-K41 VanDerWaalsContact O-N 3.16Å
38Q80.5Confident76.1Confident117 Ų11796 Ų9655%0.54746%0.463SS..Hα-helixtrans-65.8-44.7174.4-75.3178.1-2.300110.5Q34 L35 Y36 I40 K41 T42Q34-Q38 WeakPolarHBondContact O-CB 3.19Å; Q34-Q38 WeakPolarHBondContact O-CG 3.3Å; Q34-Q38 PolarHBondContact O-N 3.35Å; L35-Q38 WeakPolarHBondContact O-CB 3.39Å; L35-Q38 PolarHBondContact O-N 2.94Å; L35-Q38 VanDerWaalsContact O-N 3.11Å; Y36-Q38 PolarHBondContact O-N 3.41Å; Q38-I40 PolarHBondContact O-N 3.39Å; Q38-K41 WeakPolarHBondContact O-CB 3.27Å; Q38-K41 PolarHBondContact O-N 2.94Å; Q38-K41 VanDerWaalsContact O-N 3.13Å; Q38-T42 PolarHBondContact O-N 3.08Å; Q38-T42 PolarHBondContact O-OG1 3.04Å
39T74.2Confident76.2Confident28 Ų2897.2 Ų97.217%0.17248%0.476CS..Hα-helixtrans-58.9-43.8178.5-53.70000112.2L35 Y36 T42 F43 I55 T59L35-T39 WeakPolarHBondContact O-CB 3.42Å; L35-T39 PolarHBondContact O-N 2.98Å; L35-T39 PolarHBondContact O-OG1 3.09Å; Y36-T39 PolarHBondContact O-N 3.35Å; T39-T42 PolarHBondContact O-N 3.5Å; T39-F43 WeakPolarHBondContact O-CB 3.33Å; T39-F43 PolarHBondContact O-N 3.03Å; T39-I55 HydrophobicContact CG2-CB 4.49Å; T39-I55 HydrophobicContact CG2-CG2 3.27Å; T39-T59 WeakPolarHBondContact CG2-OG1 3.34Å
40I76.3Confident76.1Confident61 Ų6197 Ų9731%0.31348%0.476SS..Hα-helixtrans-61.6-45.6174.5-70.4168.4000111.1Y36 Q38 T42 F43 H44Y36-I40 HydrophobicContact CD1-CD1 3.7Å; Y36-I40 HydrophobicContact CE1-CD1 3.19Å; Y36-I40 HydrophobicContact CE1-CG1 4.34Å; Y36-I40 HydrophobicContact CE2-CD1 4.24Å; Y36-I40 HydrophobicContact CG-CD1 4.42Å; Y36-I40 WeakPolarHBondContact O-CG1 3.37Å; Y36-I40 PolarHBondContact O-N 3.26Å; Q38-I40 PolarHBondContact O-N 3.39Å; I40-T42 VanDerWaalsContact C-N 3.33Å; I40-T42 PolarHBondContact O-N 3.41Å; I40-F43 WeakPolarHBondContact O-CB 3.47Å; I40-F43 PolarHBondContact O-N 2.92Å; I40-H44 PolarHBondContact O-CD2 2.9Å; I40-H44 PolarHBondContact O-N 2.97Å
41K78.3Confident75.9Confident146 Ų14694.2 Ų94.264%0.63546%0.463SS*.Hα-helixtrans-61.7-42.6178.3-74.1177.1-179.2-175.80111.7N37 Q38 H44 L45N37-K41 WeakPolarHBondContact O-CG 3.49Å; N37-K41 PolarHBondContact O-N 3.45Å; N37-K41 VanDerWaalsContact O-N 3.16Å; Q38-K41 WeakPolarHBondContact O-CB 3.27Å; Q38-K41 PolarHBondContact O-N 2.94Å; Q38-K41 VanDerWaalsContact O-N 3.13Å; K41-H44 PolarHBondContact O-N 3.49Å; K41-L45 WeakPolarHBondContact O-CG 3.26Å; K41-L45 PolarHBondContact O-N 3.38Å
42T73.2Confident75.8Confident54 Ų5489.1 Ų89.133%0.33145%0.445SS..Hα-helixtrans-66-40.6177.6-51.30000111.2Q38 T39 I40 H44 L45 Q46 I55Q38-T42 PolarHBondContact O-N 3.08Å; Q38-T42 PolarHBondContact O-OG1 3.04Å; T39-T42 PolarHBondContact O-N 3.5Å; I40-T42 VanDerWaalsContact C-N 3.33Å; I40-T42 PolarHBondContact O-N 3.41Å; T42-H44 VanDerWaalsContact C-N 3.32Å; T42-H44 PolarHBondContact O-N 2.96Å; T42-L45 PolarHBondContact O-N 2.93Å; T42-L45 VanDerWaalsContact O-N 3.15Å; T42-Q46 HydrophobicContact CG2-CG 4.2Å; T42-Q46 WeakPolarHBondContact O-CB 3.28Å; T42-Q46 WeakPolarHBondContact O-CG 3.46Å; T42-Q46 PolarHBondContact O-N 3.21Å; T42-Q46 VanDerWaalsContact O-N 3.1Å; T42-I55 HydrophobicContact CG2-CD1 3.64Å
43F70.3Confident75.9Confident86 Ų8691.3 Ų91.338%0.37746%0.458SS..Hα-helixtrans-59.9-39.9175.5-172.2-85.5000112.2T39 I40 L45 I52 I55 I56T39-F43 WeakPolarHBondContact O-CB 3.33Å; T39-F43 PolarHBondContact O-N 3.03Å; I40-F43 WeakPolarHBondContact O-CB 3.47Å; I40-F43 PolarHBondContact O-N 2.92Å; F43-L45 VanDerWaalsContact C-N 3.33Å; F43-L45 PolarHBondContact O-N 3.28Å; F43-I52 HydrophobicContact CD2-CG1 4.24Å; F43-I52 HydrophobicContact CD2-CG2 4.03Å; F43-I52 HydrophobicContact CE2-CB 4.29Å; F43-I52 HydrophobicContact CE2-CG1 4.23Å; F43-I52 HydrophobicContact CE2-CG2 3.37Å; F43-I52 HydrophobicContact CZ-CG2 4.02Å; F43-I55 HydrophobicContact CD2-CG2 4.26Å; F43-I56 HydrophobicContact CE2-CD1 4.23Å; F43-I56 HydrophobicContact CE2-CG1 4.29Å
44H70.1Confident75.8Confident147 Ų14791.8 Ų91.868%0.68146%0.46SS*.Hα-helixtrans-71.6-23.6176.6-77.6-62.4000114.4I40 K41 T42I40-H44 PolarHBondContact O-CD2 2.9Å; I40-H44 PolarHBondContact O-N 2.97Å; K41-H44 PolarHBondContact O-N 3.49Å; T42-H44 VanDerWaalsContact C-N 3.32Å; T42-H44 PolarHBondContact O-N 2.96Å
45L69.2Low75.7Confident149 Ų14988.1 Ų88.178%0.7844%0.444SS*.Hα-helixtrans-92.2-19.1-177.6-74.1167.9000113.4K41 T42 F43K41-L45 WeakPolarHBondContact O-CG 3.26Å; K41-L45 PolarHBondContact O-N 3.38Å; T42-L45 PolarHBondContact O-N 2.93Å; T42-L45 VanDerWaalsContact O-N 3.15Å; F43-L45 VanDerWaalsContact C-N 3.33Å; F43-L45 PolarHBondContact O-N 3.28Å
46Q65.7Low75.8Confident64 Ų6489.4 Ų89.430%0.29945%0.45SS..  trans-100112.1-174-73.9179.9-22.600111.4T42 D48 T51 I52T42-Q46 HydrophobicContact CG2-CG 4.2Å; T42-Q46 WeakPolarHBondContact O-CB 3.28Å; T42-Q46 WeakPolarHBondContact O-CG 3.46Å; T42-Q46 PolarHBondContact O-N 3.21Å; T42-Q46 VanDerWaalsContact O-N 3.1Å; Q46-D48 VanDerWaalsContact C-N 3.31Å; Q46-T51 WeakPolarHBondContact CB-OG1 3.46Å; Q46-T51 VanDerWaalsContact OE1-CB 3.26Å; Q46-T51 PolarHBondContact OE1-OG1 3.33Å; Q46-I52 WeakPolarHBondContact O-CD1 3.47Å
47N64.8Low76.1Confident170 Ų17086.8 Ų86.891%0.90945%0.445SS*.  trans-84.3-3.5170.9-93.81.5000113.3S49N47-S49 PolarHBondContact O-N 2.68Å
48D77.9Confident76.3Confident88 Ų8887.5 Ų87.547%0.47145%0.448SS..  trans-84.8111.7178.8-1740.4000110.5Q46 M50 T51 I52Q46-D48 VanDerWaalsContact C-N 3.31Å; D48-M50 PolarHBondContact O-N 3.44Å; D48-M50 VanDerWaalsContact O-N 3.09Å; D48-M50 PolarHBondContact OD1-N 3.28Å; D48-M50 VanDerWaalsContact OD1-N 3.15Å; D48-T51 HydrophobicContact CB-CG2 4.27Å; D48-T51 PolarHBondContact O-N 3.05Å; D48-T51 PolarHBondContact O-OG1 3.44Å; D48-I52 PolarHBondContact O-N 3.21Å
49S77.2Confident76.4Confident76 Ų7683.7 Ų83.753%0.53143%0.433SS..Hα-helixtrans-48.4-35177.761.60000113.8N47 I53N47-S49 PolarHBondContact O-N 2.68Å; S49-I53 WeakPolarHBondContact O-CD1 3.47Å; S49-I53 VanDerWaalsContact O-CG1 3.27Å; S49-I53 WeakPolarHBondContact O-CG1 3.4Å; S49-I53 PolarHBondContact O-N 2.96Å; S49-I53 VanDerWaalsContact O-N 3.13Å
50M76.8Confident76.8Confident116 Ų11686.8 Ų86.857%0.57145%0.447SS*.Hα-helixtrans-71.1-39.8-179.2-69.1-59.4-70.200112.1D48 I53 I54D48-M50 PolarHBondContact O-N 3.44Å; D48-M50 VanDerWaalsContact O-N 3.09Å; D48-M50 PolarHBondContact OD1-N 3.28Å; D48-M50 VanDerWaalsContact OD1-N 3.15Å; M50-I53 PolarHBondContact O-N 3.49Å; M50-I53 HydrophobicContact SD-CD1 4.39Å; M50-I54 WeakPolarHBondContact O-CG1 3.23Å; M50-I54 PolarHBondContact O-N 3.47Å; M50-I54 VanDerWaalsContact O-N 3.11Å
51T77.2Confident77.4Confident38 Ų3888.8 Ų88.823%0.23346%0.457CS..Hα-helixtrans-68-38.5178.258.90000112.2Q46 D48 I53 I54 I55Q46-T51 WeakPolarHBondContact CB-OG1 3.46Å; Q46-T51 VanDerWaalsContact OE1-CB 3.26Å; Q46-T51 PolarHBondContact OE1-OG1 3.33Å; D48-T51 HydrophobicContact CB-CG2 4.27Å; D48-T51 PolarHBondContact O-N 3.05Å; D48-T51 PolarHBondContact O-OG1 3.44Å; T51-I53 PolarHBondContact O-N 3.49Å; T51-I54 PolarHBondContact O-N 3.32Å; T51-I55 WeakPolarHBondContact O-CB 3.49Å; T51-I55 WeakPolarHBondContact O-CG1 3.32Å; T51-I55 PolarHBondContact O-N 2.78Å
52I78.5Confident77.5Confident39 Ų3983 Ų8320%0.244%0.436CS..Hα-helixtrans-58-47.3172.1-74.7165.9000111.1F43 Q46 D48 I54 I55 I56F43-I52 HydrophobicContact CD2-CG1 4.24Å; F43-I52 HydrophobicContact CD2-CG2 4.03Å; F43-I52 HydrophobicContact CE2-CB 4.29Å; F43-I52 HydrophobicContact CE2-CG1 4.23Å; F43-I52 HydrophobicContact CE2-CG2 3.37Å; F43-I52 HydrophobicContact CZ-CG2 4.02Å; Q46-I52 WeakPolarHBondContact O-CD1 3.47Å; D48-I52 PolarHBondContact O-N 3.21Å; I52-I54 VanDerWaalsContact C-N 3.34Å; I52-I54 PolarHBondContact O-N 3.22Å; I52-I55 WeakPolarHBondContact O-CB 3.37Å; I52-I55 PolarHBondContact O-N 2.94Å; I52-I56 HydrophobicContact CG2-CD1 3.79Å; I52-I56 HydrophobicContact CG2-CG1 4.49Å; I52-I56 WeakPolarHBondContact O-CG1 3.32Å; I52-I56 PolarHBondContact O-N 3.01Å
53I79.7Confident77.8Confident85 Ų8583 Ų8344%0.43644%0.437SS..Hα-helixtrans-60.5-45179.5-69.4163.8000110.8S49 M50 T51 I55 I56 I57S49-I53 WeakPolarHBondContact O-CD1 3.47Å; S49-I53 VanDerWaalsContact O-CG1 3.27Å; S49-I53 WeakPolarHBondContact O-CG1 3.4Å; S49-I53 PolarHBondContact O-N 2.96Å; S49-I53 VanDerWaalsContact O-N 3.13Å; M50-I53 PolarHBondContact O-N 3.49Å; M50-I53 HydrophobicContact SD-CD1 4.39Å; T51-I53 PolarHBondContact O-N 3.49Å; I53-I55 VanDerWaalsContact C-N 3.33Å; I53-I55 PolarHBondContact O-N 2.92Å; I53-I56 PolarHBondContact O-N 3.44Å; I53-I57 HydrophobicContact CG2-CD1 3.88Å; I53-I57 WeakPolarHBondContact O-CG1 3.5Å; I53-I57 PolarHBondContact O-N 2.95Å
54I81.1Confident78.5Confident93 Ų9384.1 Ų84.148%0.47745%0.446SS..Hα-helixtrans-60.6-44.5177.9-67.7165.9000110.7M50 T51 I52 I56 I57 I58M50-I54 WeakPolarHBondContact O-CG1 3.23Å; M50-I54 PolarHBondContact O-N 3.47Å; M50-I54 VanDerWaalsContact O-N 3.11Å; T51-I54 PolarHBondContact O-N 3.32Å; I52-I54 VanDerWaalsContact C-N 3.34Å; I52-I54 PolarHBondContact O-N 3.22Å; I54-I56 VanDerWaalsContact C-N 3.34Å; I54-I56 PolarHBondContact O-N 2.93Å; I54-I57 PolarHBondContact O-N 3.47Å; I54-I58 HydrophobicContact CG2-CD1 3.81Å; I54-I58 HydrophobicContact CG2-CG1 4.48Å; I54-I58 WeakPolarHBondContact O-CG1 3.28Å; I54-I58 PolarHBondContact O-N 3.44Å
55I79.7Confident79.1Confident22 Ų2281.9 Ų81.911%0.11344%0.439CS..Hα-helixtrans-58.5-45.6176.2-79.2169.7000111.5T39 T42 F43 T51 I52 I53 I57 I58 T59T39-I55 HydrophobicContact CG2-CB 4.49Å; T39-I55 HydrophobicContact CG2-CG2 3.27Å; T42-I55 HydrophobicContact CG2-CD1 3.64Å; F43-I55 HydrophobicContact CD2-CG2 4.26Å; T51-I55 WeakPolarHBondContact O-CB 3.49Å; T51-I55 WeakPolarHBondContact O-CG1 3.32Å; T51-I55 PolarHBondContact O-N 2.78Å; I52-I55 WeakPolarHBondContact O-CB 3.37Å; I52-I55 PolarHBondContact O-N 2.94Å; I53-I55 VanDerWaalsContact C-N 3.33Å; I53-I55 PolarHBondContact O-N 2.92Å; I55-I57 VanDerWaalsContact C-N 3.35Å; I55-I57 PolarHBondContact O-N 2.95Å; I55-I58 PolarHBondContact O-N 2.9Å; I55-T59 WeakPolarHBondContact O-CB 3.46Å; I55-T59 PolarHBondContact O-N 3.38Å; I55-T59 PolarHBondContact O-OG1 2.81Å
56I81.4Confident79.6Confident75 Ų7577.7 Ų77.739%0.38542%0.417SS..Hα-helixtrans-60.9-45.4178.4-68.9165.8000110.3F43 I52 I53 I54 I58 T59 I60F43-I56 HydrophobicContact CE2-CD1 4.23Å; F43-I56 HydrophobicContact CE2-CG1 4.29Å; I52-I56 HydrophobicContact CG2-CD1 3.79Å; I52-I56 HydrophobicContact CG2-CG1 4.49Å; I52-I56 WeakPolarHBondContact O-CG1 3.32Å; I52-I56 PolarHBondContact O-N 3.01Å; I53-I56 PolarHBondContact O-N 3.44Å; I54-I56 VanDerWaalsContact C-N 3.34Å; I54-I56 PolarHBondContact O-N 2.93Å; I56-I58 PolarHBondContact O-N 2.84Å; I56-T59 WeakPolarHBondContact O-CB 3.32Å; I56-T59 PolarHBondContact O-N 3.35Å; I56-I60 HydrophobicContact CG2-CD1 3.78Å; I56-I60 HydrophobicContact CG2-CG1 4.43Å; I56-I60 VanDerWaalsContact O-CG1 3.32Å; I56-I60 WeakPolarHBondContact O-CG1 3.41Å; I56-I60 PolarHBondContact O-N 3.29Å
57I84.7Confident80.3Confident89 Ų8979.6 Ų79.646%0.45643%0.428SS..Hα-helixtrans-59.9-47.1178.4-67.8166.6000110.9I53 I54 I55 T59 I60 I61I53-I57 HydrophobicContact CG2-CD1 3.88Å; I53-I57 WeakPolarHBondContact O-CG1 3.5Å; I53-I57 PolarHBondContact O-N 2.95Å; I54-I57 PolarHBondContact O-N 3.47Å; I55-I57 VanDerWaalsContact C-N 3.35Å; I55-I57 PolarHBondContact O-N 2.95Å; I57-T59 VanDerWaalsContact C-N 3.29Å; I57-T59 PolarHBondContact O-N 3.23Å; I57-I60 PolarHBondContact O-N 2.9Å; I57-I61 HydrophobicContact CG2-CD1 3.75Å; I57-I61 HydrophobicContact CG2-CG1 4.47Å; I57-I61 WeakPolarHBondContact O-CG1 3.46Å; I57-I61 PolarHBondContact O-N 2.85Å
58I86.1Confident81.1Confident94 Ų9473.3 Ų73.348%0.48240%0.404SS..Hα-helixtrans-61.7-40178-67.3168.4000110.8I54 I55 I56 I61 S62I54-I58 HydrophobicContact CG2-CD1 3.81Å; I54-I58 HydrophobicContact CG2-CG1 4.48Å; I54-I58 WeakPolarHBondContact O-CG1 3.28Å; I54-I58 PolarHBondContact O-N 3.44Å; I55-I58 PolarHBondContact O-N 2.9Å; I56-I58 PolarHBondContact O-N 2.84Å; I58-I61 PolarHBondContact O-N 2.98Å; I58-S62 WeakPolarHBondContact O-CB 3.32Å; I58-S62 PolarHBondContact O-N 3.35Å; I58-S62 PolarHBondContact O-OG 3.22Å
59T81.1Confident81.2Confident38 Ų3872.3 Ų72.323%0.23340%0.398CS..Hα-helixtrans-65-40.5178-52.70000111.7T39 I55 I56 I57 S62 S63T39-T59 WeakPolarHBondContact CG2-OG1 3.34Å; I55-T59 WeakPolarHBondContact O-CB 3.46Å; I55-T59 PolarHBondContact O-N 3.38Å; I55-T59 PolarHBondContact O-OG1 2.81Å; I56-T59 WeakPolarHBondContact O-CB 3.32Å; I56-T59 PolarHBondContact O-N 3.35Å; I57-T59 VanDerWaalsContact C-N 3.29Å; I57-T59 PolarHBondContact O-N 3.23Å; T59-S62 WeakPolarHBondContact CA-OG 3.4Å; T59-S62 PolarHBondContact O-OG 3.46Å; T59-S63 VanDerWaalsContact O-CB 3.28Å; T59-S63 WeakPolarHBondContact O-CB 3.48Å; T59-S63 PolarHBondContact O-N 3.37Å; T59-S63 PolarHBondContact O-OG 2.93Å
60I84.4Confident81.1Confident92 Ų9271.8 Ų71.847%0.47239%0.394SS..Hα-helixtrans-65.6-48.3176.5-69166.8000110.5I56 I57 S62 S63 I64I56-I60 HydrophobicContact CG2-CD1 3.78Å; I56-I60 HydrophobicContact CG2-CG1 4.43Å; I56-I60 VanDerWaalsContact O-CG1 3.32Å; I56-I60 WeakPolarHBondContact O-CG1 3.41Å; I56-I60 PolarHBondContact O-N 3.29Å; I57-I60 PolarHBondContact O-N 2.9Å; I60-S62 PolarHBondContact O-N 3.49Å; I60-S63 PolarHBondContact O-N 2.83Å; I60-I64 HydrophobicContact CG2-CD1 3.73Å; I60-I64 HydrophobicContact CG2-CG1 4.43Å; I60-I64 VanDerWaalsContact O-CG1 3.3Å; I60-I64 WeakPolarHBondContact O-CG1 3.37Å; I60-I64 PolarHBondContact O-N 2.99Å
61I87.3Confident81.2Confident104 Ų10471.4 Ų71.453%0.53339%0.393SS..Hα-helixtrans-60.6-46.5-179.7-67.1167.7000110.7I57 I58 S63 I64 L65I57-I61 HydrophobicContact CG2-CD1 3.75Å; I57-I61 HydrophobicContact CG2-CG1 4.47Å; I57-I61 WeakPolarHBondContact O-CG1 3.46Å; I57-I61 PolarHBondContact O-N 2.85Å; I58-I61 PolarHBondContact O-N 2.98Å; I61-S63 VanDerWaalsContact C-N 3.34Å; I61-S63 PolarHBondContact O-N 3.44Å; I61-I64 PolarHBondContact O-N 3.48Å; I61-L65 PolarHBondContact O-N 3.16Å
62S81.2Confident81.4Confident25 Ų2574.5 Ų74.518%0.17541%0.405CS..Hα-helixtrans-63.7-38.6177.652.50000112.3I58 T59 I60 L65 L66I58-S62 WeakPolarHBondContact O-CB 3.32Å; I58-S62 PolarHBondContact O-N 3.35Å; I58-S62 PolarHBondContact O-OG 3.22Å; T59-S62 WeakPolarHBondContact CA-OG 3.4Å; T59-S62 PolarHBondContact O-OG 3.46Å; I60-S62 PolarHBondContact O-N 3.49Å; S62-L65 PolarHBondContact O-N 3.45Å; S62-L66 WeakPolarHBondContact O-CG 3.49Å; S62-L66 PolarHBondContact O-N 3.03Å
63S79.7Confident81.3Confident53 Ų5377 Ų7737%0.37141%0.412SS..Hα-helixtrans-65.3-42.5176-61.20000112.4T59 I60 I61 L65 L66 I67T59-S63 VanDerWaalsContact O-CB 3.28Å; T59-S63 WeakPolarHBondContact O-CB 3.48Å; T59-S63 PolarHBondContact O-N 3.37Å; T59-S63 PolarHBondContact O-OG 2.93Å; I60-S63 PolarHBondContact O-N 2.83Å; I61-S63 VanDerWaalsContact C-N 3.34Å; I61-S63 PolarHBondContact O-N 3.44Å; S63-L65 VanDerWaalsContact C-N 3.31Å; S63-L65 PolarHBondContact O-N 3.24Å; S63-L66 WeakPolarHBondContact O-CB 3.44Å; S63-L66 PolarHBondContact O-N 2.91Å; S63-I67 VanDerWaalsContact O-CG1 3.31Å; S63-I67 WeakPolarHBondContact O-CG1 3.49Å; S63-I67 PolarHBondContact O-N 3.21Å
64I84.3Confident81.3Confident110 Ų11077.6 Ų77.656%0.56442%0.415SS*.Hα-helixtrans-61.6-42.7175.6-68.2165000110.4I60 I61 L66 I67 G68I60-I64 HydrophobicContact CG2-CD1 3.73Å; I60-I64 HydrophobicContact CG2-CG1 4.43Å; I60-I64 VanDerWaalsContact O-CG1 3.3Å; I60-I64 WeakPolarHBondContact O-CG1 3.37Å; I60-I64 PolarHBondContact O-N 2.99Å; I61-I64 PolarHBondContact O-N 3.48Å; I64-L66 PolarHBondContact O-N 3.45Å; I64-I67 PolarHBondContact O-N 3.23Å; I64-G68 PolarHBondContact O-N 3.3Å
65L82.2Confident81.2Confident100 Ų10077.9 Ų77.952%0.52442%0.417SS..Hα-helixtrans-62.4-42.4177.9-167.5120.2000111.6F32 I61 S62 S63 G68 L69F32-L65 HydrophobicContact CZ-CD2 4.34Å; I61-L65 PolarHBondContact O-N 3.16Å; S62-L65 PolarHBondContact O-N 3.45Å; S63-L65 VanDerWaalsContact C-N 3.31Å; S63-L65 PolarHBondContact O-N 3.24Å; L65-G68 PolarHBondContact O-N 2.93Å; L65-L69 HydrophobicContact CD2-CD1 3.83Å; L65-L69 HydrophobicContact CG-CD1 4.47Å; L65-L69 WeakPolarHBondContact O-CG 3.11Å; L65-L69 PolarHBondContact O-N 2.73Å
66L80.8Confident81.2Confident61 Ų6180.9 Ų80.932%0.31943%0.427SS..Hα-helixtrans-61.8-43.5175.2-81.1172000112.9F32 S62 S63 I64 G68 L69 S70F32-L66 HydrophobicContact CB-CD1 4.44Å; F32-L66 HydrophobicContact CD1-CD1 3.82Å; F32-L66 HydrophobicContact CD1-CD2 4.19Å; F32-L66 HydrophobicContact CD1-CG 4.13Å; F32-L66 HydrophobicContact CD2-CD2 3.55Å; F32-L66 HydrophobicContact CD2-CG 4.37Å; F32-L66 HydrophobicContact CE1-CD1 4.16Å; F32-L66 HydrophobicContact CE1-CD2 4.17Å; F32-L66 HydrophobicContact CE1-CG 4.01Å; F32-L66 HydrophobicContact CE2-CD2 3.52Å; F32-L66 HydrophobicContact CE2-CG 4.26Å; F32-L66 HydrophobicContact CG-CD1 4.04Å; F32-L66 HydrophobicContact CG-CD2 3.91Å; F32-L66 HydrophobicContact CG-CG 4.32Å; F32-L66 HydrophobicContact CZ-CD2 3.85Å; F32-L66 HydrophobicContact CZ-CG 4.08Å; S62-L66 WeakPolarHBondContact O-CG 3.49Å; S62-L66 PolarHBondContact O-N 3.03Å; S63-L66 WeakPolarHBondContact O-CB 3.44Å; S63-L66 PolarHBondContact O-N 2.91Å; I64-L66 PolarHBondContact O-N 3.45Å; L66-G68 VanDerWaalsContact C-N 3.34Å; L66-L69 PolarHBondContact O-N 2.97Å; L66-S70 WeakPolarHBondContact O-CB 3.4Å; L66-S70 PolarHBondContact O-N 3.41Å; L66-S70 PolarHBondContact O-OG 3.41Å
67I80.4Confident80.8Confident103 Ų10380.3 Ų80.353%0.52843%0.425SS..Hα-helixtrans-63.1-44.7176.4-66.2163.1000109.9S63 I64 L69 S70 I71S63-I67 VanDerWaalsContact O-CG1 3.31Å; S63-I67 WeakPolarHBondContact O-CG1 3.49Å; S63-I67 PolarHBondContact O-N 3.21Å; I64-I67 PolarHBondContact O-N 3.23Å; I67-L69 PolarHBondContact O-N 2.96Å; I67-S70 PolarHBondContact O-N 3.3Å; I67-I71 HydrophobicContact CG2-CD1 3.81Å; I67-I71 HydrophobicContact CG2-CG1 4.45Å; I67-I71 WeakPolarHBondContact O-CG1 3.32Å; I67-I71 PolarHBondContact O-N 2.99Å
68G81.1Confident80.5Confident39 Ų3982.5 Ų82.540%0.40243%0.431SS..Hα-helixtrans-59.2-46.8177.100000112.8I64 L65 L66 S70 I71 H72I64-G68 PolarHBondContact O-N 3.3Å; L65-G68 PolarHBondContact O-N 2.93Å; L66-G68 VanDerWaalsContact C-N 3.34Å; G68-S70 VanDerWaalsContact C-N 3.34Å; G68-S70 PolarHBondContact O-N 2.97Å; G68-I71 PolarHBondContact O-N 3.35Å; G68-H72 WeakPolarHBondContact O-CB 3.22Å; G68-H72 PolarHBondContact O-N 3.47Å
69L80.1Confident80.1Confident67 Ų6782.2 Ų82.235%0.35143%0.43SS..Hα-helixtrans-62.3-40.3175.4-73.3171.8000111.9L21 L65 L66 I67 H72 W73L21-L69 HydrophobicContact CD1-CD2 4.23Å; L65-L69 HydrophobicContact CD2-CD1 3.83Å; L65-L69 HydrophobicContact CG-CD1 4.47Å; L65-L69 WeakPolarHBondContact O-CG 3.11Å; L65-L69 PolarHBondContact O-N 2.73Å; L66-L69 PolarHBondContact O-N 2.97Å; I67-L69 PolarHBondContact O-N 2.96Å; L69-H72 PolarHBondContact O-N 3.26Å; L69-W73 VanDerWaalsContact O-CB 3.29Å; L69-W73 WeakPolarHBondContact O-CB 3.17Å; L69-W73 PolarHBondContact O-N 3.27Å
70S75.7Confident80Confident65 Ų6585 Ų8546%0.45544%0.443SS..Hα-helixtrans-65-43.3178.5-60.10000112.1L66 I67 G68 W73 I74L66-S70 WeakPolarHBondContact O-CB 3.4Å; L66-S70 PolarHBondContact O-N 3.41Å; L66-S70 PolarHBondContact O-OG 3.41Å; I67-S70 PolarHBondContact O-N 3.3Å; G68-S70 VanDerWaalsContact C-N 3.34Å; G68-S70 PolarHBondContact O-N 2.97Å; S70-W73 WeakPolarHBondContact O-CB 3.32Å; S70-W73 PolarHBondContact O-N 3.47Å; S70-I74 VanDerWaalsContact O-CG1 3.3Å; S70-I74 WeakPolarHBondContact O-CG1 3.43Å; S70-I74 PolarHBondContact O-N 2.82Å
71I78.9Confident79.7Confident107 Ų10785.6 Ų85.655%0.54945%0.447SS..Hα-helixtrans-64.5-44.7175.3-66.1165.8000110.2I67 G68 W73 I74 L75I67-I71 HydrophobicContact CG2-CD1 3.81Å; I67-I71 HydrophobicContact CG2-CG1 4.45Å; I67-I71 WeakPolarHBondContact O-CG1 3.32Å; I67-I71 PolarHBondContact O-N 2.99Å; G68-I71 PolarHBondContact O-N 3.35Å; I71-W73 VanDerWaalsContact C-N 3.3Å; I71-W73 PolarHBondContact O-N 3Å; I71-I74 PolarHBondContact O-N 2.92Å; I71-L75 WeakPolarHBondContact O-CB 3.45Å; I71-L75 PolarHBondContact O-N 2.73Å
72H81Confident79.4Confident104 Ų10484.9 Ų84.948%0.48144%0.443SS..Hα-helixtrans-59.7-42.3177.4-168.778.3000111.5G68 L69 L75 Y76G68-H72 WeakPolarHBondContact O-CB 3.22Å; G68-H72 PolarHBondContact O-N 3.47Å; L69-H72 PolarHBondContact O-N 3.26Å; H72-L75 PolarHBondContact O-N 3.21Å; H72-Y76 WeakPolarHBondContact O-CB 3.34Å; H72-Y76 PolarHBondContact O-N 3.4Å
73W76.4Confident79.5Confident92 Ų9290.3 Ų90.335%0.34846%0.464SS..Hα-helixtrans-60.3-47.5175.8-177.9-103.9000112.4Y22 L69 S70 I71 L75 Y76 N77Y22-W73 AromaticContact CD2-CH2 3.08Å; Y22-W73 HydrophobicContact CD2-CH2 3.08Å; Y22-W73 AromaticContact CD2-CZ2 3.94Å; Y22-W73 HydrophobicContact CD2-CZ2 3.94Å; Y22-W73 AromaticContact CD2-CZ3 3.69Å; Y22-W73 HydrophobicContact CD2-CZ3 3.69Å; Y22-W73 AromaticContact CE2-CH2 3.43Å; Y22-W73 HydrophobicContact CE2-CH2 3.43Å; Y22-W73 VanDerWaalsContact CE2-CH2 3.43Å; Y22-W73 AromaticContact CE2-CZ2 3.92Å; Y22-W73 HydrophobicContact CE2-CZ2 3.92Å; Y22-W73 HydrophobicContact CE2-CZ3 4.45Å; Y22-W73 HydrophobicContact CG-CH2 4.12Å; Y22-W73 HydrophobicContact CG-CZ3 4.43Å; L69-W73 VanDerWaalsContact O-CB 3.29Å; L69-W73 WeakPolarHBondContact O-CB 3.17Å; L69-W73 PolarHBondContact O-N 3.27Å; S70-W73 WeakPolarHBondContact O-CB 3.32Å; S70-W73 PolarHBondContact O-N 3.47Å; I71-W73 VanDerWaalsContact C-N 3.3Å; I71-W73 PolarHBondContact O-N 3Å; W73-L75 VanDerWaalsContact C-N 3.33Å; W73-L75 PolarHBondContact O-N 2.93Å; W73-Y76 PolarHBondContact O-N 2.95Å; W73-N77 PolarHBondContact NE1-ND2 3.47Å; W73-N77 PolarHBondContact O-N 2.96Å; W73-N77 PolarHBondContact O-ND2 2.95Å
74I79.3Confident79.6Confident97 Ų9790.4 Ų90.450%0.49747%0.465SS..Hα-helixtrans-61.3-43.8177.3-67.6162.9000110.6S70 I71 K78S70-I74 VanDerWaalsContact O-CG1 3.3Å; S70-I74 WeakPolarHBondContact O-CG1 3.43Å; S70-I74 PolarHBondContact O-N 2.82Å; I71-I74 PolarHBondContact O-N 2.92Å; I74-K78 WeakPolarHBondContact O-CG 3.36Å; I74-K78 PolarHBondContact O-N 3.31Å; I74-K78 VanDerWaalsContact O-N 3.07Å
75L79.4Confident79.8Confident99 Ų9989.2 Ų89.252%0.51846%0.458SS..Hα-helixtrans-65.2-43.6179.1-174.165.5000111.6I71 H72 W73 K78 L79I71-L75 WeakPolarHBondContact O-CB 3.45Å; I71-L75 PolarHBondContact O-N 2.73Å; H72-L75 PolarHBondContact O-N 3.21Å; W73-L75 VanDerWaalsContact C-N 3.33Å; W73-L75 PolarHBondContact O-N 2.93Å; L75-K78 PolarHBondContact O-N 3.4Å; L75-L79 HydrophobicContact CG-CD1 4.41Å; L75-L79 WeakPolarHBondContact O-CG 3.35Å; L75-L79 PolarHBondContact O-N 2.81Å
76Y79Confident80Confident85 Ų8589 Ų8933%0.33346%0.457SS..Hα-helixtrans-62-45.2178.4-174.6-98.3000111.8I18 H72 W73 K78 L79 L80I18-Y76 HydrophobicContact CD1-CE2 4.22Å; I18-Y76 HydrophobicContact CG2-CE1 4.19Å; I18-Y76 HydrophobicContact CG2-CE2 4.29Å; H72-Y76 WeakPolarHBondContact O-CB 3.34Å; H72-Y76 PolarHBondContact O-N 3.4Å; W73-Y76 PolarHBondContact O-N 2.95Å; Y76-K78 VanDerWaalsContact C-N 3.35Å; Y76-K78 PolarHBondContact O-N 3.28Å; Y76-L79 PolarHBondContact O-N 3.3Å; Y76-L80 HydrophobicContact CE1-CD1 4.2Å; Y76-L80 PolarHBondContact O-N 3.25Å
77N74.3Confident80.3Confident62 Ų6291 Ų9133%0.33247%0.466SS..Hα-helixtrans-63-40.1176.7-76.4-22.4000112.4W73 L80 L81W73-N77 PolarHBondContact NE1-ND2 3.47Å; W73-N77 PolarHBondContact O-N 2.96Å; W73-N77 PolarHBondContact O-ND2 2.95Å; N77-L80 PolarHBondContact O-N 3.01Å; N77-L81 WeakPolarHBondContact O-CB 3.27Å; N77-L81 PolarHBondContact O-N 2.9Å
78K76.8Confident80.7Confident135 Ų13593 Ų9359%0.58747%0.471SS*.Hα-helixtrans-61.5-43.7173.8-77.3-177177.8-176.70111.7I74 L75 Y76 L80 L81 I82I74-K78 WeakPolarHBondContact O-CG 3.36Å; I74-K78 PolarHBondContact O-N 3.31Å; I74-K78 VanDerWaalsContact O-N 3.07Å; L75-K78 PolarHBondContact O-N 3.4Å; Y76-K78 VanDerWaalsContact C-N 3.35Å; Y76-K78 PolarHBondContact O-N 3.28Å; K78-L80 PolarHBondContact O-N 3.47Å; K78-L81 PolarHBondContact O-N 2.83Å; K78-I82 WeakPolarHBondContact O-CG1 3.5Å; K78-I82 PolarHBondContact O-N 2.9Å
79L79.5Confident81.1Confident88 Ų8895.6 Ų95.646%0.46148%0.475SS..Hα-helixtrans-63-41176.5-76.7169.2000112.2L75 Y76 I82 K83L75-L79 HydrophobicContact CG-CD1 4.41Å; L75-L79 WeakPolarHBondContact O-CG 3.35Å; L75-L79 PolarHBondContact O-N 2.81Å; Y76-L79 PolarHBondContact O-N 3.3Å; L79-I82 PolarHBondContact O-N 3.14Å; L79-K83 WeakPolarHBondContact O-CG 3.33Å; L79-K83 PolarHBondContact O-N 3.15Å
80L78.9Confident81.5Confident96 Ų9698.2 Ų98.250%0.50349%0.489SS..Hα-helixtrans-64.8-39.9177.4-166.9121.5000111.7Y76 N77 K78 K83 S84Y76-L80 HydrophobicContact CE1-CD1 4.2Å; Y76-L80 PolarHBondContact O-N 3.25Å; N77-L80 PolarHBondContact O-N 3.01Å; K78-L80 PolarHBondContact O-N 3.47Å; L80-K83 PolarHBondContact O-N 3.11Å; L80-S84 PolarHBondContact O-N 3.45Å
81L76.4Confident82.1Confident106 Ų10699.5 Ų99.556%0.55549%0.49SS*.Hα-helixtrans-62.7-44.2174.7-173.4125.7000111.7N77 K78 K83 S84 I85N77-L81 WeakPolarHBondContact O-CB 3.27Å; N77-L81 PolarHBondContact O-N 2.9Å; K78-L81 PolarHBondContact O-N 2.83Å; L81-K83 PolarHBondContact O-N 3.31Å; L81-S84 WeakPolarHBondContact O-CB 3.47Å; L81-S84 PolarHBondContact O-N 3.42Å; L81-I85 HydrophobicContact CD2-CD1 3.69Å; L81-I85 HydrophobicContact CG-CD1 4.29Å; L81-I85 WeakPolarHBondContact O-CG1 3.41Å; L81-I85 PolarHBondContact O-N 3.49Å
82I81.8Confident82.6Confident89 Ų89101.3 Ų101.346%0.45649%0.494SS..Hα-helixtrans-60.6-46.5174.9-67.3164.6000110.6K78 L79 S84 I85 I86K78-I82 WeakPolarHBondContact O-CG1 3.5Å; K78-I82 PolarHBondContact O-N 2.9Å; L79-I82 PolarHBondContact O-N 3.14Å; I82-S84 VanDerWaalsContact C-N 3.29Å; I82-S84 PolarHBondContact O-N 3.45Å; I82-I85 PolarHBondContact O-N 2.95Å; I82-I86 HydrophobicContact CG2-CD1 3.73Å; I82-I86 HydrophobicContact CG2-CG1 4.33Å; I82-I86 WeakPolarHBondContact O-CG1 3.45Å; I82-I86 PolarHBondContact O-N 2.96Å
83K83.4Confident82.9Confident138 Ų138101.4 Ų101.460%0.650%0.497SS*.Hα-helixtrans-57.8-42.7175.7-75-178.9179.5-179.20111.7L79 L80 L81 I86 I87L79-K83 WeakPolarHBondContact O-CG 3.33Å; L79-K83 PolarHBondContact O-N 3.15Å; L80-K83 PolarHBondContact O-N 3.11Å; L81-K83 PolarHBondContact O-N 3.31Å; K83-I86 PolarHBondContact O-N 3.43Å; K83-I87 WeakPolarHBondContact O-CD1 3.36Å; K83-I87 VanDerWaalsContact O-CG1 3.26Å; K83-I87 WeakPolarHBondContact O-CG1 3.35Å; K83-I87 PolarHBondContact O-N 3.24Å
84S82.5Confident83.4Confident56 Ų56104 Ų10439%0.39251%0.511SS..Hα-helixtrans-61-44.2176.4-172.40000112.2L80 L81 I82 I87 K88L80-S84 PolarHBondContact O-N 3.45Å; L81-S84 WeakPolarHBondContact O-CB 3.47Å; L81-S84 PolarHBondContact O-N 3.42Å; I82-S84 VanDerWaalsContact C-N 3.29Å; I82-S84 PolarHBondContact O-N 3.45Å; S84-I87 PolarHBondContact O-N 3.3Å; S84-K88 WeakPolarHBondContact O-CG 3.49Å; S84-K88 PolarHBondContact O-N 3.13Å
85I86.8Confident83.7Confident84 Ų84104.3 Ų104.343%0.43151%0.513SS..Hα-helixtrans-63.2-46.3176.9-67.2165.6000110.9L81 I82 I87 K88 I89L81-I85 HydrophobicContact CD2-CD1 3.69Å; L81-I85 HydrophobicContact CG-CD1 4.29Å; L81-I85 WeakPolarHBondContact O-CG1 3.41Å; L81-I85 PolarHBondContact O-N 3.49Å; I82-I85 PolarHBondContact O-N 2.95Å; I85-I87 VanDerWaalsContact C-N 3.32Å; I85-I87 PolarHBondContact O-N 3.4Å; I85-K88 PolarHBondContact O-N 3.48Å; I85-I89 HydrophobicContact CG2-CD1 3.82Å; I85-I89 HydrophobicContact CG2-CG1 4.43Å; I85-I89 WeakPolarHBondContact O-CG1 3.49Å; I85-I89 PolarHBondContact O-N 3.24Å
86I87.7Confident83.9Confident97 Ų97103.2 Ų103.250%0.49751%0.507SS..Hα-helixtrans-59.1-44.6178.3-68.3168.5000110.7I82 K83 K88 I89 L90I82-I86 HydrophobicContact CG2-CD1 3.73Å; I82-I86 HydrophobicContact CG2-CG1 4.33Å; I82-I86 WeakPolarHBondContact O-CG1 3.45Å; I82-I86 PolarHBondContact O-N 2.96Å; K83-I86 PolarHBondContact O-N 3.43Å; I86-K88 PolarHBondContact O-N 2.82Å; I86-I89 PolarHBondContact O-N 2.82Å; I86-L90 WeakPolarHBondContact O-CB 3.32Å; I86-L90 PolarHBondContact O-N 2.81Å
87I87.8Confident84Confident101 Ų101103.6 Ų103.652%0.51852%0.515SS..Hα-helixtrans-61.4-44177.5-69.2164.8000110.7K83 S84 I85 I89 L90 I91K83-I87 WeakPolarHBondContact O-CD1 3.36Å; K83-I87 VanDerWaalsContact O-CG1 3.26Å; K83-I87 WeakPolarHBondContact O-CG1 3.35Å; K83-I87 PolarHBondContact O-N 3.24Å; S84-I87 PolarHBondContact O-N 3.3Å; I85-I87 VanDerWaalsContact C-N 3.32Å; I85-I87 PolarHBondContact O-N 3.4Å; I87-I89 VanDerWaalsContact C-N 3.35Å; I87-I89 PolarHBondContact O-N 2.88Å; I87-L90 PolarHBondContact O-N 3.48Å; I87-I91 HydrophobicContact CG2-CD1 3.82Å; I87-I91 HydrophobicContact CG2-CG1 4.47Å; I87-I91 VanDerWaalsContact O-CG1 3.31Å; I87-I91 WeakPolarHBondContact O-CG1 3.46Å; I87-I91 PolarHBondContact O-N 3.11Å
88K88.7Confident84.3Confident146 Ų146104.3 Ų104.364%0.63552%0.519SS*.Hα-helixtrans-60.9-41.9176.1-74.7-179.6179.3-178.10112.4S84 I85 I86 I91 K92S84-K88 WeakPolarHBondContact O-CG 3.49Å; S84-K88 PolarHBondContact O-N 3.13Å; I85-K88 PolarHBondContact O-N 3.48Å; I86-K88 PolarHBondContact O-N 2.82Å; K88-I91 PolarHBondContact O-N 2.87Å; K88-K92 WeakPolarHBondContact O-CB 3.43Å; K88-K92 PolarHBondContact O-N 2.99Å
89I87.7Confident84.4Confident94 Ų94103.6 Ų103.648%0.48252%0.518SS..Hα-helixtrans-63-45.4175.9-67.2166.9000110.3I85 I86 I87 I91 K92 L93I85-I89 HydrophobicContact CG2-CD1 3.82Å; I85-I89 HydrophobicContact CG2-CG1 4.43Å; I85-I89 WeakPolarHBondContact O-CG1 3.49Å; I85-I89 PolarHBondContact O-N 3.24Å; I86-I89 PolarHBondContact O-N 2.82Å; I87-I89 VanDerWaalsContact C-N 3.35Å; I87-I89 PolarHBondContact O-N 2.88Å; I89-I91 VanDerWaalsContact C-N 3.34Å; I89-I91 PolarHBondContact O-N 3.37Å; I89-K92 PolarHBondContact O-N 3.29Å; I89-L93 HydrophobicContact CG2-CD1 3.94Å; I89-L93 HydrophobicContact CG2-CG 4.34Å; I89-L93 WeakPolarHBondContact O-CG 3.33Å; I89-L93 PolarHBondContact O-N 3.33Å
90L90.2Very high84.1Confident121 Ų121103.5 Ų103.563%0.63452%0.518SS*.Hα-helixtrans-60.8-42.6179.2-163.6102.4000111.8I86 I87 L93 K94I86-L90 WeakPolarHBondContact O-CB 3.32Å; I86-L90 PolarHBondContact O-N 2.81Å; I87-L90 PolarHBondContact O-N 3.48Å; L90-L93 PolarHBondContact O-N 3Å; L90-K94 WeakPolarHBondContact O-CB 3.44Å; L90-K94 PolarHBondContact O-N 3.17Å
91I88.1Confident83.7Confident92 Ų92105 Ų10547%0.47252%0.52SS..Hα-helixtrans-63.7-45.2175.8-67.2165.9000110.5I87 K88 I89 L93 K94 L95I87-I91 HydrophobicContact CG2-CD1 3.82Å; I87-I91 HydrophobicContact CG2-CG1 4.47Å; I87-I91 VanDerWaalsContact O-CG1 3.31Å; I87-I91 WeakPolarHBondContact O-CG1 3.46Å; I87-I91 PolarHBondContact O-N 3.11Å; K88-I91 PolarHBondContact O-N 2.87Å; I89-I91 VanDerWaalsContact C-N 3.34Å; I89-I91 PolarHBondContact O-N 3.37Å; I91-L93 PolarHBondContact O-N 3.48Å; I91-K94 PolarHBondContact O-N 3.16Å; I91-L95 HydrophobicContact CG2-CD1 4.08Å; I91-L95 WeakPolarHBondContact O-CG 3.46Å; I91-L95 PolarHBondContact O-N 3.04Å
92K88Confident83Confident146 Ų146106.4 Ų106.464%0.63552%0.524SS*.Hα-helixtrans-62.7-41.3178.7-169.2174.8-179.3-1800112.1K88 I89 L95 L96K88-K92 WeakPolarHBondContact O-CB 3.43Å; K88-K92 PolarHBondContact O-N 2.99Å; I89-K92 PolarHBondContact O-N 3.29Å; K92-L95 PolarHBondContact O-N 3.33Å; K92-L96 HydrophobicContact CG-CD1 4.4Å; K92-L96 WeakPolarHBondContact O-CG 3.44Å; K92-L96 PolarHBondContact O-N 3.36Å
93L87.5Confident81.9Confident106 Ų106109 Ų10956%0.55553%0.533SS*.Hα-helixtrans-64.2-40.2174.7-72.7172.2000112I89 L90 I91 L96 N97I89-L93 HydrophobicContact CG2-CD1 3.94Å; I89-L93 HydrophobicContact CG2-CG 4.34Å; I89-L93 WeakPolarHBondContact O-CG 3.33Å; I89-L93 PolarHBondContact O-N 3.33Å; L90-L93 PolarHBondContact O-N 3Å; I91-L93 PolarHBondContact O-N 3.48Å; L93-L96 PolarHBondContact O-N 2.88Å; L93-N97 WeakPolarHBondContact O-CB 3.35Å; L93-N97 PolarHBondContact O-N 3.34Å
94K88Confident80.8Confident146 Ų146111.1 Ų111.164%0.63554%0.543SS*.Hα-helixtrans-64.3-40.6175.8-168.4176.2-178.5-179.10111.9L90 I91 N97 N98L90-K94 WeakPolarHBondContact O-CB 3.44Å; L90-K94 PolarHBondContact O-N 3.17Å; I91-K94 PolarHBondContact O-N 3.16Å; K94-N97 PolarHBondContact O-N 3.41Å; K94-N98 PolarHBondContact O-N 3.04Å; K94-N98 VanDerWaalsContact O-N 3.07Å
95L85.9Confident79.7Confident103 Ų103115.3 Ų115.354%0.53956%0.559SS.*Hα-helixtrans-64.2-46.1175.4-72.7169.2000112I91 K92 N97 N98 Q99I91-L95 HydrophobicContact CG2-CD1 4.08Å; I91-L95 WeakPolarHBondContact O-CG 3.46Å; I91-L95 PolarHBondContact O-N 3.04Å; K92-L95 PolarHBondContact O-N 3.33Å; L95-N97 VanDerWaalsContact C-N 3.34Å; L95-N97 PolarHBondContact O-N 3.22Å; L95-N98 PolarHBondContact O-N 3.18Å; L95-Q99 WeakPolarHBondContact O-CG 3.47Å; L95-Q99 PolarHBondContact O-N 3.1Å
96L82.8Confident77.9Confident76 Ų76122.2 Ų122.240%0.39859%0.59SS.*Hα-helixtrans-60.8-41.7176-75.8165.8000112.1K92 L93 N98 Q99 N100K92-L96 HydrophobicContact CG-CD1 4.4Å; K92-L96 WeakPolarHBondContact O-CG 3.44Å; K92-L96 PolarHBondContact O-N 3.36Å; L93-L96 PolarHBondContact O-N 2.88Å; L96-N98 VanDerWaalsContact C-N 3.32Å; L96-N98 PolarHBondContact O-N 3.15Å; L96-Q99 PolarHBondContact O-N 3.09Å; L96-N100 PolarHBondContact O-N 3.48Å
97N82.1Confident77.5Confident93 Ų93123.5 Ų123.550%0.49759%0.594SS.*Hα-helixtrans-66.3-35.8178.2-161.811.1000112L93 K94 L95 K101L93-N97 WeakPolarHBondContact O-CB 3.35Å; L93-N97 PolarHBondContact O-N 3.34Å; K94-N97 PolarHBondContact O-N 3.41Å; L95-N97 VanDerWaalsContact C-N 3.34Å; L95-N97 PolarHBondContact O-N 3.22Å; N97-K101 WeakPolarHBondContact O-CG 3.49Å; N97-K101 PolarHBondContact O-N 2.72Å; N97-K101 VanDerWaalsContact O-N 3.13Å
98N79.2Confident76.9Confident77 Ų77124.6 Ų124.641%0.41260%0.598SS.*Hα-helixtrans-67.7-40.6173.7-75.5-4.3000112K94 L95 L96 K101 H102K94-N98 PolarHBondContact O-N 3.04Å; K94-N98 VanDerWaalsContact O-N 3.07Å; L95-N98 PolarHBondContact O-N 3.18Å; L96-N98 VanDerWaalsContact C-N 3.32Å; L96-N98 PolarHBondContact O-N 3.15Å; N98-K101 PolarHBondContact O-N 3.3Å; N98-H102 PolarHBondContact O-CD2 3.45Å; N98-H102 PolarHBondContact O-N 3.15Å; N98-H102 VanDerWaalsContact O-N 3.14Å
99Q79.4Confident76.3Confident121 Ų121123.4 Ų123.457%0.56560%0.596SS**Hα-helixtrans-62.1-44.7175.2-72.9177.1-32.800112L95 L96 K101 H102 Q103L95-Q99 WeakPolarHBondContact O-CG 3.47Å; L95-Q99 PolarHBondContact O-N 3.1Å; L96-Q99 PolarHBondContact O-N 3.09Å; Q99-K101 VanDerWaalsContact C-N 3.26Å; Q99-K101 PolarHBondContact O-N 2.94Å; Q99-H102 PolarHBondContact O-N 3.4Å; Q99-H102 VanDerWaalsContact O-N 3.15Å; Q99-Q103 PolarHBondContact O-N 2.85Å; Q99-Q103 VanDerWaalsContact O-N 3.13Å
100N74.3Confident75.6Confident86 Ų86125.2 Ų125.246%0.4660%0.603SS.*Hα-helixtrans-65.2-28.2177.3-70.4-8.2000113.1L96L96-N100 PolarHBondContact O-N 3.48Å
101K69.5Low74.7Confident126 Ų126125.4 Ų125.455%0.54860%0.601SS.*Hα-helixtrans-71.5-39.5172.7-78.6-178.1178.6-173.30112N97 N98 Q99 K104 I105N97-K101 WeakPolarHBondContact O-CG 3.49Å; N97-K101 PolarHBondContact O-N 2.72Å; N97-K101 VanDerWaalsContact O-N 3.13Å; N98-K101 PolarHBondContact O-N 3.3Å; Q99-K101 VanDerWaalsContact C-N 3.26Å; Q99-K101 PolarHBondContact O-N 2.94Å; K101-K104 PolarHBondContact O-N 3.13Å; K101-I105 WeakPolarHBondContact O-CG1 3.41Å
102H62.5Low73.8Confident137 Ų137127.7 Ų127.763%0.63461%0.61SS**Hα-helixtrans-65.3-39.4177-79.5-68.4000112.4N98 Q99 K104 I105N98-H102 PolarHBondContact O-CD2 3.45Å; N98-H102 PolarHBondContact O-N 3.15Å; N98-H102 VanDerWaalsContact O-N 3.14Å; Q99-H102 PolarHBondContact O-N 3.4Å; Q99-H102 VanDerWaalsContact O-N 3.15Å; H102-K104 PolarHBondContact O-N 3.24Å; H102-I105 PolarHBondContact O-N 3.37Å
103Q57.7Low72.8Confident142 Ų142126.4 Ų126.466%0.66461%0.608SS**THydrogen-bonded Turntrans-69.5-13.8177.6-71.8-177.4-23.700115.2Q99Q99-Q103 PolarHBondContact O-N 2.85Å; Q99-Q103 VanDerWaalsContact O-N 3.13Å
104K60.3Low71.6Confident183 Ų183127.9 Ų127.980%0.79661%0.612SS**THydrogen-bonded Turntrans-93.4-6.5176.8-77.5-173.5176.8-173.10113.7K101 H102K101-K104 PolarHBondContact O-N 3.13Å; H102-K104 PolarHBondContact O-N 3.24Å
105I59.4Low70.3Confident144 Ų144126.4 Ų126.474%0.73861%0.61SS**THydrogen-bonded Turntrans-99.3-18.8-178.6-63.3168.9000110.9K101 H102K101-I105 WeakPolarHBondContact O-CG1 3.41Å; H102-I105 PolarHBondContact O-N 3.37Å
106E50.5Low68.9Low229 Ų229128.5 Ų128.5100%1.0762%0.617SS**  trans-830163.3-68.3-179.6172.100111

Retrieved 106 of 106 residues in 167 ms (Link to these results)

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