A0A077Z6H6_TRITR Loading...

ER membrane protein complex subunit 4

AlphaFold DB , UniProt , Accession A0A077Z6H6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 178 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.4Very low63.1Low253 Ų253142.2 Ų142.2100%1.24677%0.767SS**  0102.20-78.7168.5146.100108.5
2K46.7Very low63.4Low215 Ų215145.1 Ų145.194%0.93577%0.772SS**  trans-119.2107.2170.2-115.6168.9178.71760105.2E4K2-E4 PolarHBondContact O-N 3.32Å
3S63.4Low64.2Low118 Ų118143.7 Ų143.783%0.82576%0.758SS**  trans-69112.1175.748.20000108.4
4E66.1Low64.9Low181 Ų181144 Ų14485%0.84675%0.75SS**  trans-63.5134.3166.3-81.9-139.1133.900109.4K2 L6K2-E4 PolarHBondContact O-N 3.32Å; E4-L6 PolarHBondContact O-N 3.31Å
5P69.8Low65.7Low114 Ų114150.1 Ų150.174%0.7476%0.759SS**  trans-66.6124.7178.527.8-32.2000109.5N7P5-N7 PolarHBondContact O-N 3.42Å
6L63.8Low66.6Low163 Ų163150.9 Ų150.985%0.85376%0.756SS**  trans-51.1110170.9-94158000109.3E4 V8E4-L6 PolarHBondContact O-N 3.31Å; L6-V8 VanDerWaalsContact C-N 3.31Å; L6-V8 WeakPolarHBondContact O-CG2 3.37Å; L6-V8 PolarHBondContact O-N 2.98Å
7N71.6Confident67Low107 Ų107152.5 Ų152.557%0.57277%0.767SS**  trans-71.185.1-179.3-169.4-16.9000110P5 L9 A10P5-N7 PolarHBondContact O-N 3.42Å; N7-L9 PolarHBondContact O-N 3.06Å; N7-L9 WeakPolarHBondContact OD1-CB 3.34Å; N7-L9 PolarHBondContact OD1-N 3.39Å; N7-A10 HydrophobicContact CB-CB 4.36Å; N7-A10 WeakPolarHBondContact O-CB 3.44Å; N7-A10 PolarHBondContact O-N 3.26Å; N7-A10 PolarHBondContact OD1-N 2.86Å
8V67.7Low67.5Low109 Ų109148.7 Ų148.766%0.66175%0.749SS**Hα-helixtrans-60.2-26.3179.9-1620000111.7L6 A10 L11L6-V8 VanDerWaalsContact C-N 3.31Å; L6-V8 WeakPolarHBondContact O-CG2 3.37Å; L6-V8 PolarHBondContact O-N 2.98Å; V8-A10 VanDerWaalsContact C-N 3.29Å; V8-A10 PolarHBondContact O-N 3.39Å; V8-L11 PolarHBondContact O-N 3.41Å
9L63.4Low68Low134 Ų134147.8 Ų147.870%0.70276%0.758SS**Hα-helixtrans-67-29.5176.3-63.6176.2000112.5N7 L11 H12N7-L9 PolarHBondContact O-N 3.06Å; N7-L9 WeakPolarHBondContact OD1-CB 3.34Å; N7-L9 PolarHBondContact OD1-N 3.39Å; L9-L11 VanDerWaalsContact C-N 3.3Å; L9-L11 PolarHBondContact O-N 2.82Å; L9-H12 PolarHBondContact O-N 3.21Å
10A67.6Low68.3Low56 Ų56141.7 Ų141.746%0.46373%0.733SS.*Hα-helixtrans-67.4-31.4176.600000112.2N7 V8 Q13N7-A10 HydrophobicContact CB-CB 4.36Å; N7-A10 WeakPolarHBondContact O-CB 3.44Å; N7-A10 PolarHBondContact O-N 3.26Å; N7-A10 PolarHBondContact OD1-N 2.86Å; V8-A10 VanDerWaalsContact C-N 3.29Å; V8-A10 PolarHBondContact O-N 3.39Å; A10-Q13 PolarHBondContact O-N 3.44Å
11L67.7Low68.4Low114 Ų114141.6 Ų141.660%0.59772%0.724SS**Hα-helixtrans-69.4-37177.3-93.1155.6000112.3V8 L9 Q13 K14V8-L11 PolarHBondContact O-N 3.41Å; L9-L11 VanDerWaalsContact C-N 3.3Å; L9-L11 PolarHBondContact O-N 2.82Å; L11-Q13 PolarHBondContact O-N 3.4Å; L11-K14 HydrophobicContact CD2-CD 3.97Å; L11-K14 PolarHBondContact O-N 3.35Å
12H66.2Low69.5Low177 Ų177133.1 Ų133.182%0.81969%0.69SS**Hα-helixtrans-70-18.9-179.4-157.8-123.9000113L9L9-H12 PolarHBondContact O-N 3.21Å
13Q75Confident70.7Confident127 Ų127131.3 Ų131.359%0.59368%0.682SS**THydrogen-bonded Turntrans-91.5-3.5179.7-64.8-169.4-14.100114.3A10 L11 W15 K16A10-Q13 PolarHBondContact O-N 3.44Å; L11-Q13 PolarHBondContact O-N 3.4Å; Q13-W15 PolarHBondContact O-N 3.44Å; Q13-W15 VanDerWaalsContact O-N 3.08Å; Q13-K16 WeakPolarHBondContact O-CB 3.39Å; Q13-K16 PolarHBondContact O-N 3.48Å; Q13-K16 VanDerWaalsContact O-N 3.08Å
14K73Confident70.9Confident148 Ų148134.5 Ų134.564%0.64368%0.676SS**THydrogen-bonded Turntrans-56.9-28.8-174.9-87.9179.669.3-174.20115L11L11-K14 HydrophobicContact CD2-CD 3.97Å; L11-K14 PolarHBondContact O-N 3.35Å
15W77.8Confident71Confident235 Ų235129.2 Ų129.289%0.8965%0.651SS**THydrogen-bonded Turntrans-109.311.1-177.9-61.5108.6000113.4Q13 L17Q13-W15 PolarHBondContact O-N 3.44Å; Q13-W15 VanDerWaalsContact O-N 3.08Å; W15-L17 PolarHBondContact O-N 3.29Å
16K79.7Confident70.7Confident164 Ų164131.3 Ų131.371%0.71365%0.649SS**  trans-70125.1177.6-143.1-179.2-178.5-172.50108.7Q13 D18Q13-K16 WeakPolarHBondContact O-CB 3.39Å; Q13-K16 PolarHBondContact O-N 3.48Å; Q13-K16 VanDerWaalsContact O-N 3.08Å; K16-D18 PolarHBondContact O-N 3.08Å; K16-D18 VanDerWaalsContact O-N 3.1Å
17L74.1Confident70.8Confident178 Ų178126.8 Ų126.893%0.93264%0.635SS**  trans-61109.9176.7-73.8158.2000109.6W15W15-L17 PolarHBondContact O-N 3.29Å
18D74.9Confident70.4Confident83 Ų83124.4 Ų124.444%0.44463%0.629SS.*  trans-86.6112.5169.8-179.79.4000108.9K16 G20 Y21K16-D18 PolarHBondContact O-N 3.08Å; K16-D18 VanDerWaalsContact O-N 3.1Å; D18-G20 PolarHBondContact O-N 3.1Å; D18-G20 VanDerWaalsContact O-N 3.17Å; D18-G20 WeakPolarHBondContact OD1-CA 3.48Å; D18-G20 PolarHBondContact OD1-N 3.08Å; D18-Y21 WeakPolarHBondContact O-CB 3.42Å; D18-Y21 PolarHBondContact O-N 2.87Å
19S76.6Confident70Confident132 Ų132125 Ų12592%0.92362%0.62SS**THydrogen-bonded Turntrans-63-17.5174.253.70000112.7Y21S19-Y21 VanDerWaalsContact C-N 3.33Å
20G75.4Confident69.9Low25 Ų25123.7 Ų123.726%0.25862%0.622SS.*THydrogen-bonded Turntrans-82-3.5171.800000114.7D18 S22 K23 R24D18-G20 PolarHBondContact O-N 3.1Å; D18-G20 VanDerWaalsContact O-N 3.17Å; D18-G20 WeakPolarHBondContact OD1-CA 3.48Å; D18-G20 PolarHBondContact OD1-N 3.08Å; G20-S22 VanDerWaalsContact C-N 3.28Å; G20-S22 PolarHBondContact O-N 3.11Å; G20-K23 PolarHBondContact O-N 3.19Å; G20-R24 PolarHBondContact O-N 3.17Å
21Y69.6Low69.6Low141 Ų141128.4 Ų128.455%0.55364%0.638SS**Hα-helixtrans-53.3-42.6-175.1-178.3-102000112.4D18 S19 K23 R24 Q25D18-Y21 WeakPolarHBondContact O-CB 3.42Å; D18-Y21 PolarHBondContact O-N 2.87Å; S19-Y21 VanDerWaalsContact C-N 3.33Å; Y21-K23 PolarHBondContact O-N 2.97Å; Y21-R24 PolarHBondContact O-N 2.78Å; Y21-Q25 HydrophobicContact CE1-CB 4.44Å; Y21-Q25 HydrophobicContact CE1-CG 4.47Å; Y21-Q25 WeakPolarHBondContact O-CB 3.15Å; Y21-Q25 PolarHBondContact O-N 3.34Å
22S69.8Low69.2Low74 Ų74127 Ų12752%0.51764%0.635SS.*Hα-helixtrans-62.3-39.2178.7-172.10000113.1G20 K26G20-S22 VanDerWaalsContact C-N 3.28Å; G20-S22 PolarHBondContact O-N 3.11Å; S22-K26 WeakPolarHBondContact O-CG 3.45Å; S22-K26 PolarHBondContact O-N 2.91Å; S22-K26 VanDerWaalsContact O-N 3.12Å
23K71.8Confident69.1Low177 Ų177126 Ų12677%0.7764%0.641SS**Hα-helixtrans-71.6-43.3177.5-68.6-173-176.3-178.40111.3G20 Y21 K26 A27G20-K23 PolarHBondContact O-N 3.19Å; Y21-K23 PolarHBondContact O-N 2.97Å; K23-K26 PolarHBondContact O-N 3Å; K23-A27 PolarHBondContact O-N 3.38Å; K23-A27 VanDerWaalsContact O-N 3.14Å
24R66.5Low68.8Low186 Ų186125.3 Ų125.370%0.70265%0.645SS**Hα-helixtrans-67.4-38.3177.9-175.2175.7-86.6-168-4.2112G20 Y21 A27 A28G20-R24 PolarHBondContact O-N 3.17Å; Y21-R24 PolarHBondContact O-N 2.78Å; R24-A27 PolarHBondContact O-N 2.99Å; R24-A28 WeakPolarHBondContact O-CB 3.24Å; R24-A28 PolarHBondContact O-N 3.19Å
25Q69.5Low68.7Low69 Ų69122.4 Ų122.432%0.32265%0.649SS.*Hα-helixtrans-68-35.4176.6-162.5-175.35.300111.6Y21 R29Y21-Q25 HydrophobicContact CE1-CB 4.44Å; Y21-Q25 HydrophobicContact CE1-CG 4.47Å; Y21-Q25 WeakPolarHBondContact O-CB 3.15Å; Y21-Q25 PolarHBondContact O-N 3.34Å; Q25-R29 VanDerWaalsContact O-CB 3.24Å; Q25-R29 WeakPolarHBondContact O-CB 3.17Å; Q25-R29 WeakPolarHBondContact O-CG 3.33Å; Q25-R29 PolarHBondContact O-N 3.14Å
26K63.9Low68.4Low159 Ų159115 Ų11569%0.69163%0.626SS**Hα-helixtrans-63.5-40.5170.8-81-174.8-179.9-174.80112.4S22 K23S22-K26 WeakPolarHBondContact O-CG 3.45Å; S22-K26 PolarHBondContact O-N 2.91Å; S22-K26 VanDerWaalsContact O-N 3.12Å; K23-K26 PolarHBondContact O-N 3Å
27A65.3Low68.3Low68 Ų68111.1 Ų111.156%0.56262%0.618SS**Hα-helixtrans-69.4-41.317600000112.6K23 R24 S30K23-A27 PolarHBondContact O-N 3.38Å; K23-A27 VanDerWaalsContact O-N 3.14Å; R24-A27 PolarHBondContact O-N 2.99Å; A27-S30 PolarHBondContact O-N 3.12Å; A27-S30 PolarHBondContact O-OG 3.39Å
28A62.2Low68.3Low56 Ų56109.3 Ų109.346%0.46362%0.617SS.*Hα-helixtrans-70.6-34.6178.600000112.9R24 S30 L31R24-A28 WeakPolarHBondContact O-CB 3.24Å; R24-A28 PolarHBondContact O-N 3.19Å; A28-S30 PolarHBondContact O-N 3.27Å; A28-L31 PolarHBondContact O-N 3.32Å; A28-L31 VanDerWaalsContact O-N 3.11Å
29R60.1Low68Low123 Ų123109.7 Ų109.746%0.46464%0.64SS.*Hα-helixtrans-61.2-22.2175.7-89.4-179.6153.1175.7-5.7113.5Q25 L31Q25-R29 VanDerWaalsContact O-CB 3.24Å; Q25-R29 WeakPolarHBondContact O-CB 3.17Å; Q25-R29 WeakPolarHBondContact O-CG 3.33Å; Q25-R29 PolarHBondContact O-N 3.14Å; R29-L31 VanDerWaalsContact C-N 3.3Å
30S60.6Low67.8Low105 Ų105108.9 Ų108.973%0.73462%0.618SS**THydrogen-bonded Turntrans-78.5-13.2177.598.60000113.5A27 A28A27-S30 PolarHBondContact O-N 3.12Å; A27-S30 PolarHBondContact O-OG 3.39Å; A28-S30 PolarHBondContact O-N 3.27Å
31L61.4Low67.4Low155 Ų155110.9 Ų110.981%0.81263%0.628SS**THydrogen-bonded Turntrans-108.5-18.6-173.7-153.772.1000113.6A28 R29A28-L31 PolarHBondContact O-N 3.32Å; A28-L31 VanDerWaalsContact O-N 3.11Å; R29-L31 VanDerWaalsContact C-N 3.3Å
32T60.3Low67.3Low85 Ų85107.9 Ų107.952%0.52162%0.624SS.*  trans-126.1110.6176.856.90000109.6V34T32-V34 PolarHBondContact O-N 2.79Å
33V63Low66.9Low156 Ų156110.6 Ų110.695%0.94563%0.633SS**  trans-68.274.5169.2-1770000108.1
34V69.9Low66.4Low113 Ų113106.8 Ų106.869%0.68562%0.624SS**  trans-84.3114.9166.7178.10000105.9T32 N36T32-V34 PolarHBondContact O-N 2.79Å; V34-N36 PolarHBondContact O-N 3.37Å
35A69.5Low66Low87 Ų87103.2 Ų103.272%0.71963%0.625SS**PPolyproline II helixtrans-53.7132.7175.500000109.7
36N72.9Confident65.3Low79 Ų79107.1 Ų107.142%0.42265%0.653SS.*PPolyproline II helixtrans-60.5145.9175.4-67-41.7000109.8V34 Y40V34-N36 PolarHBondContact O-N 3.37Å; N36-Y40 HydrophobicContact CB-CD1 4.25Å; N36-Y40 WeakPolarHBondContact CB-O 3.17Å
37P76.6Confident64.8Low82 Ų82101.6 Ų101.653%0.53264%0.641SS.*PPolyproline II helixtrans-60.4148.7175.725.8-33000110.3G39 Y40P37-G39 PolarHBondContact O-N 3.27Å; P37-G39 VanDerWaalsContact O-N 3.17Å; P37-Y40 PolarHBondContact O-N 3.49Å
38P74.4Confident64.3Low141 Ų141106.1 Ų106.192%0.91666%0.655SS**THydrogen-bonded Turntrans-51.4124.4176.1-23.131.6000110.4
39G69.3Low63.8Low90 Ų90108.5 Ų108.593%0.92866%0.66SS**THydrogen-bonded Turntrans95.4-5.5-177.500000116.3P37P37-G39 PolarHBondContact O-N 3.27Å; P37-G39 VanDerWaalsContact O-N 3.17Å
40Y70.8Confident63.6Low115 Ų115106.4 Ų106.445%0.45167%0.669SS.*  trans-107.7107.9172.6-172-99.7000111N36 P37 T42N36-Y40 HydrophobicContact CB-CD1 4.25Å; N36-Y40 WeakPolarHBondContact CB-O 3.17Å; P37-Y40 PolarHBondContact O-N 3.49Å; Y40-T42 HydrophobicContact CD1-CG2 4.23Å; Y40-T42 HydrophobicContact CE1-CG2 3.35Å
41S68.2Low63.4Low67 Ų67107.1 Ų107.147%0.46966%0.664SS.*  trans-122.4124.8166.3166.50000108N43 V44S41-N43 PolarHBondContact O-N 3Å; S41-N43 PolarHBondContact OG-N 3.17Å; S41-V44 VanDerWaalsContact CB-CG2 3.42Å; S41-V44 WeakPolarHBondContact OG-CG2 3.36Å
42T67.1Low63.3Low78 Ų78101.8 Ų101.848%0.47964%0.64SS.*THydrogen-bonded Turntrans-72.3-10.2-178.653.80000113.1Y40Y40-T42 HydrophobicContact CD1-CG2 4.23Å; Y40-T42 HydrophobicContact CE1-CG2 3.35Å
43N62.3Low63.4Low132 Ų132100.3 Ų100.371%0.70663%0.633SS**THydrogen-bonded Turntrans-133.944.4-169.7-61.3-21000111.7S41 P45S41-N43 PolarHBondContact O-N 3Å; S41-N43 PolarHBondContact OG-N 3.17Å; N43-P45 WeakPolarHBondContact O-CD 3.02Å
44V60.1Low63.4Low97 Ų9797.5 Ų97.559%0.58861%0.613SS**  trans-87.6102.1168.7-170.10000107.8S41 V46S41-V44 VanDerWaalsContact CB-CG2 3.42Å; S41-V44 WeakPolarHBondContact OG-CG2 3.36Å; V44-V46 PolarHBondContact O-N 3.35Å
45P58Low63.6Low110 Ų11095.6 Ų95.671%0.71460%0.601SS**  trans-58.2130.8156.226-30.2000106N43 G47N43-P45 WeakPolarHBondContact O-CD 3.02Å; P45-G47 PolarHBondContact O-N 2.65Å
46V54.6Low64Low151 Ų15196 Ų9692%0.91559%0.591SS**  trans-48.188.6177179.60000109.3V44V44-V46 PolarHBondContact O-N 3.35Å
47G54.3Low64.1Low43 Ų4397.3 Ų97.344%0.44360%0.595SS.*  trans-98121.8179.900000106.1P45 D49P45-G47 PolarHBondContact O-N 2.65Å; G47-D49 PolarHBondContact O-N 3.45Å
48I54.2Low64.1Low164 Ų16499.6 Ų99.684%0.84160%0.598SS**  trans-64.289.9176.2-60.8166000106.5A50I48-A50 PolarHBondContact O-N 3.18Å
49D52.2Low64.5Low106 Ų10697.8 Ų97.857%0.56758%0.58SS**  trans-61.7121.4171.6-64-43.6000106.3G47 D51 S52G47-D49 PolarHBondContact O-N 3.45Å; D49-D51 PolarHBondContact O-N 2.76Å; D49-S52 WeakPolarHBondContact O-CA 3.45Å; D49-S52 WeakPolarHBondContact O-CB 3.37Å; D49-S52 PolarHBondContact O-N 3.28Å; D49-S52 PolarHBondContact O-OG 3.3Å
50A56.2Low65.1Low79 Ų7995 Ų9565%0.65355%0.548SS*.Hα-helixtrans-54.9-23.417400000111.7I48 S53I48-A50 PolarHBondContact O-N 3.18Å; A50-S53 PolarHBondContact O-N 3.26Å; A50-S53 PolarHBondContact O-OG 2.83Å
51D56.6Low65.6Low120 Ų12091.9 Ų91.964%0.64254%0.541SS*.Hα-helixtrans-71.7-28.7172.3-144.112.7000113.3D49 S53 N54 T55D49-D51 PolarHBondContact O-N 2.76Å; D51-S53 VanDerWaalsContact C-N 3.25Å; D51-S53 PolarHBondContact O-N 3.01Å; D51-N54 PolarHBondContact O-N 2.78Å; D51-T55 PolarHBondContact O-N 3.13Å
52S58.6Low66.3Low42 Ų4294.9 Ų94.929%0.29455%0.546SS..Hα-helixtrans-57.5-40.8170.8-62.20000110.7D49 N54 T55 D56D49-S52 WeakPolarHBondContact O-CA 3.45Å; D49-S52 WeakPolarHBondContact O-CB 3.37Å; D49-S52 PolarHBondContact O-N 3.28Å; D49-S52 PolarHBondContact O-OG 3.3Å; S52-N54 VanDerWaalsContact C-N 3.33Å; S52-N54 PolarHBondContact O-N 3.33Å; S52-T55 WeakPolarHBondContact CA-OG1 3.38Å; S52-T55 PolarHBondContact O-N 3.39Å; S52-T55 VanDerWaalsContact O-N 3.13Å; S52-T55 PolarHBondContact O-OG1 2.85Å; S52-D56 WeakPolarHBondContact O-CB 3.13Å; S52-D56 PolarHBondContact O-N 2.77Å
53S62.5Low67.1Low55 Ų5599.3 Ų99.339%0.38555%0.554SS.*Hα-helixtrans-60.6-37.2-178.3770000113.8A50 D51 Q57A50-S53 PolarHBondContact O-N 3.26Å; A50-S53 PolarHBondContact O-OG 2.83Å; D51-S53 VanDerWaalsContact C-N 3.25Å; D51-S53 PolarHBondContact O-N 3.01Å; S53-Q57 WeakPolarHBondContact O-CB 3.39Å; S53-Q57 VanDerWaalsContact O-CG 3.24Å; S53-Q57 WeakPolarHBondContact O-CG 3.16Å; S53-Q57 PolarHBondContact O-N 3.43Å
54N64Low68.2Low97 Ų9793 Ų9352%0.51952%0.52SS..Hα-helixtrans-72.1-41.5176.6-79-68.2000111.1D51 S52 Q57 H58D51-N54 PolarHBondContact O-N 2.78Å; S52-N54 VanDerWaalsContact C-N 3.33Å; S52-N54 PolarHBondContact O-N 3.33Å; N54-Q57 PolarHBondContact O-N 3.35Å; N54-H58 PolarHBondContact O-N 2.68Å
55T73.5Confident69.5Low73 Ų7393.4 Ų93.445%0.44851%0.511SS..Hα-helixtrans-63.4-42.2174.764.20000111.5D51 S52 Q57 H58 L59D51-T55 PolarHBondContact O-N 3.13Å; S52-T55 WeakPolarHBondContact CA-OG1 3.38Å; S52-T55 PolarHBondContact O-N 3.39Å; S52-T55 VanDerWaalsContact O-N 3.13Å; S52-T55 PolarHBondContact O-OG1 2.85Å; T55-Q57 VanDerWaalsContact C-N 3.34Å; T55-Q57 PolarHBondContact O-N 2.98Å; T55-H58 PolarHBondContact O-N 3.45Å; T55-L59 WeakPolarHBondContact O-CB 3.44Å; T55-L59 WeakPolarHBondContact O-CG 3.24Å; T55-L59 PolarHBondContact O-N 3Å
56D77Confident70.9Confident94 Ų9491.9 Ų91.950%0.50350%0.497SS..Hα-helixtrans-61.9-41.1176.3-69.5-29.5000111.6S52 L59 A60S52-D56 WeakPolarHBondContact O-CB 3.13Å; S52-D56 PolarHBondContact O-N 2.77Å; D56-L59 PolarHBondContact O-N 3.4Å; D56-A60 VanDerWaalsContact O-CB 3.26Å; D56-A60 WeakPolarHBondContact O-CB 3.26Å; D56-A60 PolarHBondContact O-N 2.81Å
57Q75.8Confident72.3Confident107 Ų10787.1 Ų87.150%0.547%0.466SS..Hα-helixtrans-65.6-41.6175.8-77.7-178.212.500112.3S53 N54 T55 A60 V61 K120S53-Q57 WeakPolarHBondContact O-CB 3.39Å; S53-Q57 VanDerWaalsContact O-CG 3.24Å; S53-Q57 WeakPolarHBondContact O-CG 3.16Å; S53-Q57 PolarHBondContact O-N 3.43Å; N54-Q57 PolarHBondContact O-N 3.35Å; T55-Q57 VanDerWaalsContact C-N 3.34Å; T55-Q57 PolarHBondContact O-N 2.98Å; Q57-A60 PolarHBondContact O-N 3.01Å; Q57-V61 WeakPolarHBondContact O-CG2 3.44Å; Q57-V61 PolarHBondContact O-N 2.99Å; Q57-K120 PolarHBondContact O-NZ 3.23Å
58H77.5Confident73.9Confident131 Ų13185 Ų8561%0.60645%0.445SS*.Hα-helixtrans-66.1-42.9176.3179-105.1000111.1N54 T55 A60 V61 K62N54-H58 PolarHBondContact O-N 2.68Å; T55-H58 PolarHBondContact O-N 3.45Å; H58-A60 VanDerWaalsContact C-N 3.3Å; H58-A60 PolarHBondContact O-N 2.91Å; H58-V61 PolarHBondContact O-N 3.34Å; H58-K62 PolarHBondContact O-N 3.42Å
59L81.7Confident75.5Confident102 Ų10279.9 Ų79.953%0.53442%0.419SS..Hα-helixtrans-61.1-38.3173.4-68.5170.9000111.6T55 D56 K62 R63T55-L59 WeakPolarHBondContact O-CB 3.44Å; T55-L59 WeakPolarHBondContact O-CG 3.24Å; T55-L59 PolarHBondContact O-N 3Å; D56-L59 PolarHBondContact O-N 3.4Å; L59-K62 PolarHBondContact O-N 2.91Å; L59-R63 VanDerWaalsContact O-CB 3.26Å; L59-R63 WeakPolarHBondContact O-CB 3.43Å; L59-R63 PolarHBondContact O-N 3.48Å
60A81.6Confident77.1Confident31 Ų3176 Ų7626%0.25640%0.403SS..Hα-helixtrans-67.1-41.9175.400000112.6D56 Q57 H58 R63 T64D56-A60 VanDerWaalsContact O-CB 3.26Å; D56-A60 WeakPolarHBondContact O-CB 3.26Å; D56-A60 PolarHBondContact O-N 2.81Å; Q57-A60 PolarHBondContact O-N 3.01Å; H58-A60 VanDerWaalsContact C-N 3.3Å; H58-A60 PolarHBondContact O-N 2.91Å; A60-R63 PolarHBondContact O-N 3.02Å; A60-T64 WeakPolarHBondContact O-CB 3.27Å; A60-T64 PolarHBondContact O-N 3.42Å; A60-T64 PolarHBondContact O-OG1 3.35Å
61V81.5Confident78.5Confident51 Ų5173 Ų7331%0.30938%0.377SS..Hα-helixtrans-58.3-52.1173.3177.10000109.7Q57 H58 R63 T64 W65 K120Q57-V61 WeakPolarHBondContact O-CG2 3.44Å; Q57-V61 PolarHBondContact O-N 2.99Å; H58-V61 PolarHBondContact O-N 3.34Å; V61-R63 VanDerWaalsContact C-N 3.29Å; V61-R63 PolarHBondContact O-N 3.28Å; V61-T64 WeakPolarHBondContact O-CB 3.26Å; V61-T64 PolarHBondContact O-N 3.36Å; V61-W65 PolarHBondContact O-N 3.43Å; V61-K120 HydrophobicContact CG2-CD 4.35Å
62K83.4Confident80Confident129 Ų12970.6 Ų70.656%0.56136%0.364SS*.Hα-helixtrans-57.9-45-178-173.3170.3-178.4171.50111.3H58 L59 T64 W65 D66H58-K62 PolarHBondContact O-N 3.42Å; L59-K62 PolarHBondContact O-N 2.91Å; K62-T64 VanDerWaalsContact C-N 3.32Å; K62-T64 PolarHBondContact O-N 2.83Å; K62-W65 PolarHBondContact O-N 2.97Å; K62-D66 PolarHBondContact O-N 3.35Å
63R83.7Confident81.4Confident171 Ų17174.1 Ų74.165%0.64537%0.374SS*.Hα-helixtrans-60.1-39.9174.5-174179.3-175.2119.11.8112.6L59 A60 V61 D66 I67L59-R63 VanDerWaalsContact O-CB 3.26Å; L59-R63 WeakPolarHBondContact O-CB 3.43Å; L59-R63 PolarHBondContact O-N 3.48Å; A60-R63 PolarHBondContact O-N 3.02Å; V61-R63 VanDerWaalsContact C-N 3.29Å; V61-R63 PolarHBondContact O-N 3.28Å; R63-D66 PolarHBondContact O-N 2.98Å; R63-I67 HydrophobicContact CG-CD1 4.17Å; R63-I67 VanDerWaalsContact O-CG1 3.27Å; R63-I67 WeakPolarHBondContact O-CG1 3.46Å; R63-I67 PolarHBondContact O-N 2.63Å
64T85.3Confident82.5Confident1 Ų176.8 Ų76.81%0.00638%0.38CS..Hα-helixtrans-67.4-43.3179.7-51.30000111.4A60 V61 K62 D66 I67 A68 F115 V118 L123 E126A60-T64 WeakPolarHBondContact O-CB 3.27Å; A60-T64 PolarHBondContact O-N 3.42Å; A60-T64 PolarHBondContact O-OG1 3.35Å; V61-T64 WeakPolarHBondContact O-CB 3.26Å; V61-T64 PolarHBondContact O-N 3.36Å; K62-T64 VanDerWaalsContact C-N 3.32Å; K62-T64 PolarHBondContact O-N 2.83Å; T64-D66 VanDerWaalsContact C-N 3.31Å; T64-D66 PolarHBondContact O-N 3.35Å; T64-I67 PolarHBondContact O-N 3.05Å; T64-A68 WeakPolarHBondContact O-CB 3.17Å; T64-A68 PolarHBondContact O-N 3.07Å; T64-F115 HydrophobicContact CG2-CD1 4.37Å; T64-F115 HydrophobicContact CG2-CE1 4.02Å; T64-V118 HydrophobicContact CG2-CG1 4.28Å; T64-V118 HydrophobicContact CG2-CG2 4.37Å; T64-V118 WeakPolarHBondContact OG1-CG1 3.32Å; T64-V118 WeakPolarHBondContact OG1-CG2 3.35Å; T64-L123 HydrophobicContact CG2-CD2 3.41Å; T64-L123 VanDerWaalsContact CG2-CD2 3.41Å; T64-L123 HydrophobicContact CG2-CG 4.11Å; T64-E126 HydrophobicContact CG2-CB 3.85Å; T64-E126 HydrophobicContact CG2-CG 3.73Å
65W87.1Confident83.6Confident104 Ų10473.2 Ų73.239%0.39436%0.362SS..Hα-helixtrans-61.6-40173.5-86.796.4000112V61 K62 I67 A68 L69 E126 V129V61-W65 PolarHBondContact O-N 3.43Å; K62-W65 PolarHBondContact O-N 2.97Å; W65-I67 VanDerWaalsContact C-N 3.35Å; W65-I67 PolarHBondContact O-N 3.25Å; W65-A68 PolarHBondContact O-N 3.18Å; W65-L69 HydrophobicContact CE3-CD1 4.42Å; W65-L69 HydrophobicContact CE3-CG 4.43Å; W65-L69 WeakPolarHBondContact O-CB 3.41Å; W65-L69 VanDerWaalsContact O-CG 3.29Å; W65-L69 WeakPolarHBondContact O-CG 3.36Å; W65-L69 PolarHBondContact O-N 3.24Å; W65-E126 HydrophobicContact CD2-CG 4.22Å; W65-E126 HydrophobicContact CG-CG 4.43Å; W65-E126 HydrophobicContact CZ2-CG 4.42Å; W65-E126 PolarHBondContact NE1-OE1 3.3Å; W65-V129 HydrophobicContact CZ3-CG2 4.26Å
66D87Confident84.2Confident79 Ų7973.7 Ų73.742%0.42237%0.366SS..Hα-helixtrans-63.6-38.9174.5-83.2-42.4000112.8K62 R63 T64 G70 K73K62-D66 PolarHBondContact O-N 3.35Å; R63-D66 PolarHBondContact O-N 2.98Å; T64-D66 VanDerWaalsContact C-N 3.31Å; T64-D66 PolarHBondContact O-N 3.35Å; D66-G70 PolarHBondContact O-N 3.41Å; D66-G70 VanDerWaalsContact O-N 3.13Å; D66-K73 IonicContact OD1-NZ 3.18Å; D66-K73 PolarHBondContact OD1-NZ 3.22Å
67I84.7Confident84.6Confident50 Ų5073.3 Ų73.326%0.25637%0.368SS..Hα-helixtrans-65.9-45.6173.9-67.5163.9000110.5R63 T64 W65 L69 G70R63-I67 HydrophobicContact CG-CD1 4.17Å; R63-I67 VanDerWaalsContact O-CG1 3.27Å; R63-I67 WeakPolarHBondContact O-CG1 3.46Å; R63-I67 PolarHBondContact O-N 2.63Å; T64-I67 PolarHBondContact O-N 3.05Å; W65-I67 VanDerWaalsContact C-N 3.35Å; W65-I67 PolarHBondContact O-N 3.25Å; I67-L69 PolarHBondContact O-N 3.15Å; I67-G70 PolarHBondContact O-N 3.11Å; I67-G70 VanDerWaalsContact O-N 3.11Å
68A86.9Confident85.1Confident0 Ų069.7 Ų69.70%035%0.352CS..Hα-helixtrans-63.6-40.3-179.200000112.6T64 W65 G70 P71 E126 V129T64-A68 WeakPolarHBondContact O-CB 3.17Å; T64-A68 PolarHBondContact O-N 3.07Å; W65-A68 PolarHBondContact O-N 3.18Å; A68-G70 VanDerWaalsContact C-N 3.26Å; A68-G70 PolarHBondContact O-N 3.13Å; A68-P71 WeakPolarHBondContact O-CD 3.39Å; A68-E126 HydrophobicContact CB-CB 3.81Å; A68-E126 HydrophobicContact CB-CG 4.34Å; A68-E126 VanDerWaalsContact CB-O 3.31Å; A68-E126 WeakPolarHBondContact CB-O 3.43Å; A68-V129 HydrophobicContact CB-CB 4.41Å; A68-V129 HydrophobicContact CB-CG1 4.41Å
69L87.9Confident85.4Confident56 Ų5668 Ų6829%0.29335%0.346SS..THydrogen-bonded Turntrans-78.2-8.6175.8-68170.7000113.2W65 I67 L72 K73 V129W65-L69 HydrophobicContact CE3-CD1 4.42Å; W65-L69 HydrophobicContact CE3-CG 4.43Å; W65-L69 WeakPolarHBondContact O-CB 3.41Å; W65-L69 VanDerWaalsContact O-CG 3.29Å; W65-L69 WeakPolarHBondContact O-CG 3.36Å; W65-L69 PolarHBondContact O-N 3.24Å; I67-L69 PolarHBondContact O-N 3.15Å; L69-L72 HydrophobicContact CD2-CD2 4.07Å; L69-L72 PolarHBondContact O-N 3.32Å; L69-K73 WeakPolarHBondContact O-CG 3.42Å; L69-K73 PolarHBondContact O-N 2.84Å; L69-V129 HydrophobicContact CD2-CG1 3.94Å
70G87.4Confident85.5Confident23 Ų2369.1 Ų69.124%0.23735%0.347CS..Hα-helixtrans-52.8-54.3-178.800000113.9D66 I67 A68 L72 K73D66-G70 PolarHBondContact O-N 3.41Å; D66-G70 VanDerWaalsContact O-N 3.13Å; I67-G70 PolarHBondContact O-N 3.11Å; I67-G70 VanDerWaalsContact O-N 3.11Å; A68-G70 VanDerWaalsContact C-N 3.26Å; A68-G70 PolarHBondContact O-N 3.13Å; G70-L72 VanDerWaalsContact C-N 3.31Å; G70-L72 PolarHBondContact O-N 3.46Å; G70-K73 PolarHBondContact O-N 3.48Å
71P84.8Confident85.4Confident16 Ų1670.7 Ų70.710%0.10435%0.351CS..Hα-helixtrans-61-38.1176.9-2433.9000113.1A68 K73 Q74 Y130 N134A68-P71 WeakPolarHBondContact O-CD 3.39Å; P71-K73 PolarHBondContact O-N 3.48Å; P71-Q74 PolarHBondContact O-N 3.47Å; P71-Q74 VanDerWaalsContact O-N 3.15Å; P71-Y130 HydrophobicContact CG-CD2 3.49Å; P71-Y130 VanDerWaalsContact CG-CD2 3.49Å; P71-Y130 HydrophobicContact CG-CE2 3.53Å; P71-Y130 HydrophobicContact CG-CG 4.29Å; P71-N134 VanDerWaalsContact CG-ND2 3.34Å; P71-N134 WeakPolarHBondContact CG-ND2 3.3Å
72L87.2Confident85.3Confident70 Ų7069.1 Ų69.137%0.36634%0.34SS..Hα-helixtrans-66-38.1-179.9-172.863.5000111.8L69 G70 Q74 V75 P76L69-L72 HydrophobicContact CD2-CD2 4.07Å; L69-L72 PolarHBondContact O-N 3.32Å; G70-L72 VanDerWaalsContact C-N 3.31Å; G70-L72 PolarHBondContact O-N 3.46Å; L72-Q74 PolarHBondContact O-N 2.89Å; L72-V75 WeakPolarHBondContact O-CB 3.33Å; L72-V75 PolarHBondContact O-N 2.92Å; L72-V75 VanDerWaalsContact O-N 3.16Å; L72-P76 WeakPolarHBondContact O-CD 2.79Å
73K88.1Confident85.2Confident117 Ų11770.9 Ų70.951%0.50935%0.348SS..Hα-helixtrans-62-24.5175-71.4171.6-177.9167.50112.9D66 L69 G70 P71D66-K73 IonicContact OD1-NZ 3.18Å; D66-K73 PolarHBondContact OD1-NZ 3.22Å; L69-K73 WeakPolarHBondContact O-CG 3.42Å; L69-K73 PolarHBondContact O-N 2.84Å; G70-K73 PolarHBondContact O-N 3.48Å; P71-K73 PolarHBondContact O-N 3.48Å
74Q86.5Confident84.9Confident111 Ų11168.8 Ų68.852%0.51935%0.347SS..Hα-helixtrans-82.2-19.3178.3-63.3-176.411.700113.3P71 L72 T77 N78P71-Q74 PolarHBondContact O-N 3.47Å; P71-Q74 VanDerWaalsContact O-N 3.15Å; L72-Q74 PolarHBondContact O-N 2.89Å; Q74-T77 PolarHBondContact O-N 3.1Å; Q74-N78 PolarHBondContact O-N 3.18Å
75V86.4Confident84.2Confident22 Ų2270.6 Ų70.613%0.13336%0.362CS..Hα-helixtrans-58.4-48.4-177.3171.60000112.3L72 T77 N78 L79 I136 L140L72-V75 WeakPolarHBondContact O-CB 3.33Å; L72-V75 PolarHBondContact O-N 2.92Å; L72-V75 VanDerWaalsContact O-N 3.16Å; V75-T77 VanDerWaalsContact C-N 3.35Å; V75-T77 PolarHBondContact O-N 3.28Å; V75-N78 PolarHBondContact O-N 3.04Å; V75-L79 WeakPolarHBondContact O-CB 3.4Å; V75-L79 PolarHBondContact O-N 3.3Å; V75-I136 HydrophobicContact CG1-CG2 4.09Å; V75-I136 HydrophobicContact CG2-CG2 3.99Å; V75-L140 HydrophobicContact CG1-CD1 3.61Å
76P87.6Confident83.2Confident83 Ų8367.2 Ų67.254%0.53936%0.359SS..Hα-helixtrans-60.7-40.5177.7-25.135.5000113.4L72 L79 F80L72-P76 WeakPolarHBondContact O-CD 2.79Å; P76-L79 PolarHBondContact O-N 3.38Å; P76-F80 WeakPolarHBondContact O-CB 3.43Å; P76-F80 PolarHBondContact O-N 3.19Å
77T85Confident82.3Confident86 Ų8668 Ų6853%0.52836%0.364SS..Hα-helixtrans-63-46.5176.9-51.90000111.1Q74 V75 L79 F80 I81Q74-T77 PolarHBondContact O-N 3.1Å; V75-T77 VanDerWaalsContact C-N 3.35Å; V75-T77 PolarHBondContact O-N 3.28Å; T77-L79 VanDerWaalsContact C-N 3.33Å; T77-L79 PolarHBondContact O-N 3.05Å; T77-F80 PolarHBondContact O-N 2.94Å; T77-I81 HydrophobicContact CG2-CD1 4.34Å; T77-I81 WeakPolarHBondContact O-CG1 3.29Å; T77-I81 PolarHBondContact O-N 3.47Å
78N85.1Confident81.3Confident31 Ų3169.4 Ų69.417%0.16638%0.378CS..Hα-helixtrans-63.2-41.2177.2-71.3-17.7000111.1Q74 V75 F80 I81 M82 M100Q74-N78 PolarHBondContact O-N 3.18Å; V75-N78 PolarHBondContact O-N 3.04Å; N78-F80 VanDerWaalsContact C-N 3.34Å; N78-F80 PolarHBondContact O-N 3.28Å; N78-I81 PolarHBondContact O-N 3.28Å; N78-M82 VanDerWaalsContact C-CE 3.48Å; N78-M82 HydrophobicContact CB-CE 4.05Å; N78-M82 VanDerWaalsContact O-CE 3.32Å; N78-M82 WeakPolarHBondContact O-CE 3.37Å; N78-M82 WeakPolarHBondContact O-CG 3.43Å; N78-M82 PolarHBondContact O-N 3.4Å; N78-M100 HydrophobicContact CB-CE 3.89Å; N78-M100 HydrophobicContact CB-SD 4.13Å
79L84.7Confident80.2Confident95 Ų9575.9 Ų75.950%0.49741%0.411SS..Hα-helixtrans-62.8-40.4176.9-172.164.5000112.1V75 P76 T77 M82 F83V75-L79 WeakPolarHBondContact O-CB 3.4Å; V75-L79 PolarHBondContact O-N 3.3Å; P76-L79 PolarHBondContact O-N 3.38Å; T77-L79 VanDerWaalsContact C-N 3.33Å; T77-L79 PolarHBondContact O-N 3.05Å; L79-M82 HydrophobicContact CD1-CE 4.46Å; L79-M82 WeakPolarHBondContact O-CB 3.33Å; L79-M82 PolarHBondContact O-N 2.89Å; L79-F83 WeakPolarHBondContact O-CB 3.47Å; L79-F83 PolarHBondContact O-N 3.16Å
80F84.4Confident79.5Confident126 Ų12675.8 Ų75.855%0.55342%0.415SS*.Hα-helixtrans-63.1-44.3175.3-176.5-102.3000111.9P76 T77 N78 M82 F83 M84P76-F80 WeakPolarHBondContact O-CB 3.43Å; P76-F80 PolarHBondContact O-N 3.19Å; T77-F80 PolarHBondContact O-N 2.94Å; N78-F80 VanDerWaalsContact C-N 3.34Å; N78-F80 PolarHBondContact O-N 3.28Å; F80-M82 VanDerWaalsContact C-N 3.3Å; F80-M82 PolarHBondContact O-N 2.97Å; F80-F83 PolarHBondContact O-N 3.3Å; F80-M84 HydrophobicContact CD1-CG 4.18Å; F80-M84 HydrophobicContact CD2-CG 4.42Å; F80-M84 HydrophobicContact CE1-CG 3.78Å; F80-M84 HydrophobicContact CE2-CG 4.04Å; F80-M84 HydrophobicContact CE2-SD 4.33Å; F80-M84 HydrophobicContact CG-CG 4.49Å; F80-M84 HydrophobicContact CZ-CE 4.24Å; F80-M84 HydrophobicContact CZ-CG 3.7Å; F80-M84 HydrophobicContact CZ-SD 4.03Å; F80-M84 WeakPolarHBondContact O-CB 3.31Å; F80-M84 VanDerWaalsContact O-CG 3.29Å; F80-M84 WeakPolarHBondContact O-CG 3.43Å; F80-M84 PolarHBondContact O-N 3.15Å
81I79.5Confident78.8Confident64 Ų6481.5 Ų81.533%0.32844%0.439SS..Hα-helixtrans-60.7-43.2174.4-65.3165.3000110.2T77 N78 F83 M84 A85 M96T77-I81 HydrophobicContact CG2-CD1 4.34Å; T77-I81 WeakPolarHBondContact O-CG1 3.29Å; T77-I81 PolarHBondContact O-N 3.47Å; N78-I81 PolarHBondContact O-N 3.28Å; I81-F83 VanDerWaalsContact C-N 3.32Å; I81-F83 PolarHBondContact O-N 3.24Å; I81-M84 PolarHBondContact O-N 3.47Å; I81-A85 WeakPolarHBondContact O-CB 3.18Å; I81-A85 PolarHBondContact O-N 3.33Å; I81-M96 HydrophobicContact CG2-SD 3.69Å
82M77.6Confident78.3Confident18 Ų1888.1 Ų88.19%0.08947%0.466CS..Hα-helixtrans-63.4-36.6177.8-76.7-176.5-86.400113.2N78 L79 F80 M100 L140 K144N78-M82 VanDerWaalsContact C-CE 3.48Å; N78-M82 HydrophobicContact CB-CE 4.05Å; N78-M82 VanDerWaalsContact O-CE 3.32Å; N78-M82 WeakPolarHBondContact O-CE 3.37Å; N78-M82 WeakPolarHBondContact O-CG 3.43Å; N78-M82 PolarHBondContact O-N 3.4Å; L79-M82 HydrophobicContact CD1-CE 4.46Å; L79-M82 WeakPolarHBondContact O-CB 3.33Å; L79-M82 PolarHBondContact O-N 2.89Å; F80-M82 VanDerWaalsContact C-N 3.3Å; F80-M82 PolarHBondContact O-N 2.97Å; M82-M100 HydrophobicContact CE-CE 3.44Å; M82-M100 VanDerWaalsContact CE-CE 3.44Å; M82-M100 HydrophobicContact CE-SD 4.43Å; M82-M100 HydrophobicContact SD-CE 3.86Å; M82-L140 HydrophobicContact CE-CB 3.72Å; M82-L140 HydrophobicContact CE-CD1 4.34Å; M82-L140 HydrophobicContact SD-CB 4.31Å; M82-K144 HydrophobicContact CB-CD 4.17Å; M82-K144 HydrophobicContact CG-CB 4.29Å; M82-K144 HydrophobicContact CG-CD 4.04Å; M82-K144 HydrophobicContact CG-CG 4.05Å; M82-K144 PolarHBondContact O-NZ 3.34Å; M82-K144 HydrophobicContact SD-CB 3.81Å; M82-K144 HydrophobicContact SD-CD 4.45Å; M82-K144 HydrophobicContact SD-CG 4.24Å
83F81.5Confident77.6Confident165 Ų16585.4 Ų85.472%0.72445%0.453SS*.Hα-helixtrans-67.9-43.6175177-102.3000111.4L79 F80 I81L79-F83 WeakPolarHBondContact O-CB 3.47Å; L79-F83 PolarHBondContact O-N 3.16Å; F80-F83 PolarHBondContact O-N 3.3Å; I81-F83 VanDerWaalsContact C-N 3.32Å; I81-F83 PolarHBondContact O-N 3.24Å
84M77.6Confident77Confident128 Ų12882.6 Ų82.663%0.63144%0.442SS*.Hα-helixtrans-77.8-33-177.6-67.1-70.4-80.600113.7F80 I81 G86F80-M84 HydrophobicContact CD1-CG 4.18Å; F80-M84 HydrophobicContact CD2-CG 4.42Å; F80-M84 HydrophobicContact CE1-CG 3.78Å; F80-M84 HydrophobicContact CE2-CG 4.04Å; F80-M84 HydrophobicContact CE2-SD 4.33Å; F80-M84 HydrophobicContact CG-CG 4.49Å; F80-M84 HydrophobicContact CZ-CE 4.24Å; F80-M84 HydrophobicContact CZ-CG 3.7Å; F80-M84 HydrophobicContact CZ-SD 4.03Å; F80-M84 WeakPolarHBondContact O-CB 3.31Å; F80-M84 VanDerWaalsContact O-CG 3.29Å; F80-M84 WeakPolarHBondContact O-CG 3.43Å; F80-M84 PolarHBondContact O-N 3.15Å; I81-M84 PolarHBondContact O-N 3.47Å; M84-G86 PolarHBondContact O-N 2.99Å; M84-G86 VanDerWaalsContact O-N 3.12Å
85A70.9Confident76.8Confident39 Ų3983 Ų8332%0.32245%0.446SS..THydrogen-bonded Turntrans-70.4-6.6-173.700000114.4I81I81-A85 WeakPolarHBondContact O-CB 3.18Å; I81-A85 PolarHBondContact O-N 3.33Å
86G67.3Low76.4Confident32 Ų3285.7 Ų85.733%0.3346%0.458SS..THydrogen-bonded Turntrans61.2-173.8-178.500000113.1M84 K144M84-G86 PolarHBondContact O-N 2.99Å; M84-G86 VanDerWaalsContact O-N 3.12Å; G86-K144 PolarHBondContact O-NZ 3.19Å
87N66.8Low76Confident97 Ų9782.2 Ų82.252%0.51944%0.435SS..THydrogen-bonded Turntrans-101.224.8174.6-153.934.7000112.7I89 A147 M148N87-I89 PolarHBondContact O-N 3.08Å; N87-A147 PolarHBondContact ND2-O 3.34Å; N87-A147 VanDerWaalsContact OD1-C 3.28Å; N87-A147 PolarHBondContact OD1-O 3.47Å; N87-M148 WeakPolarHBondContact OD1-CA 3.44Å; N87-M148 WeakPolarHBondContact OD1-CG 3.36Å; N87-M148 PolarHBondContact OD1-N 3.18Å
88S65.2Low75.9Confident78 Ų7880.8 Ų80.855%0.54543%0.429SS..  trans-75.6113.9-173.7-57.70000110.8S90S88-S90 PolarHBondContact O-N 3.39Å; S88-S90 PolarHBondContact O-OG 3.2Å
89I63.5Low75.7Confident137 Ų13784 Ų8470%0.70344%0.444SS*.  trans-63.696.5169.3-78.8161.9000108.2N87N87-I89 PolarHBondContact O-N 3.08Å
90S71.4Confident75.6Confident54 Ų5480.5 Ų80.538%0.37843%0.425SS..  trans-137154.3170.650.80000108.4S88 F92 P93 I94S88-S90 PolarHBondContact O-N 3.39Å; S88-S90 PolarHBondContact O-OG 3.2Å; S90-F92 PolarHBondContact O-N 3.43Å; S90-P93 VanDerWaalsContact O-CD 3.26Å; S90-P93 WeakPolarHBondContact O-CD 3.34Å; S90-P93 WeakPolarHBondContact OG-CD 3.42Å; S90-P93 VanDerWaalsContact OG-CG 3.24Å; S90-P93 WeakPolarHBondContact OG-CG 3.5Å; S90-I94 WeakPolarHBondContact O-CG1 3.39Å
91I73.1Confident75.6Confident142 Ų14276.8 Ų76.873%0.72841%0.411SS*.Hα-helixtrans-61.2-30.6-174.3-61.3165.4000111.1I94 M95I91-I94 PolarHBondContact O-N 3.41Å; I91-M95 PolarHBondContact O-N 3.38Å
92F74.6Confident76Confident155 Ų15578 Ų7868%0.6842%0.417SS*.Hα-helixtrans-68.2-51-175.8179.4-93.9000113.7S90 I94 M95 M96S90-F92 PolarHBondContact O-N 3.43Å; F92-I94 VanDerWaalsContact C-N 3.31Å; F92-I94 PolarHBondContact O-N 2.96Å; F92-M95 PolarHBondContact O-N 3.16Å; F92-M96 HydrophobicContact CE1-CE 3.99Å; F92-M96 HydrophobicContact CZ-CE 4.23Å; F92-M96 PolarHBondContact O-N 2.81Å; F92-M96 VanDerWaalsContact O-N 3.08Å
93P73Confident76.4Confident13 Ų1385.1 Ų85.18%0.08444%0.443CS..Hα-helixtrans-56.4-38.8170.5-28.633.4000114.2S90 M95 M96 V97 M148S90-P93 VanDerWaalsContact O-CD 3.26Å; S90-P93 WeakPolarHBondContact O-CD 3.34Å; S90-P93 WeakPolarHBondContact OG-CD 3.42Å; S90-P93 VanDerWaalsContact OG-CG 3.24Å; S90-P93 WeakPolarHBondContact OG-CG 3.5Å; P93-M95 PolarHBondContact O-N 3Å; P93-M96 PolarHBondContact O-N 3.22Å; P93-V97 WeakPolarHBondContact O-CB 3.22Å; P93-V97 VanDerWaalsContact O-CG2 3.28Å; P93-V97 WeakPolarHBondContact O-CG2 2.86Å; P93-V97 PolarHBondContact O-N 3.46Å; P93-M148 HydrophobicContact CB-CE 3.58Å; P93-M148 HydrophobicContact CB-SD 4.41Å; P93-M148 HydrophobicContact CG-CE 4.46Å
94I76.2Confident76.6Confident58 Ų5878 Ų7830%0.29741%0.413SS..Hα-helixtrans-58.8-51.7-179.4-61.8169.2000109.8S90 I91 F92 M96 V97 S98 L150S90-I94 WeakPolarHBondContact O-CG1 3.39Å; I91-I94 PolarHBondContact O-N 3.41Å; F92-I94 VanDerWaalsContact C-N 3.31Å; F92-I94 PolarHBondContact O-N 2.96Å; I94-M96 VanDerWaalsContact C-N 3.32Å; I94-M96 PolarHBondContact O-N 3.42Å; I94-V97 PolarHBondContact O-N 3.11Å; I94-S98 PolarHBondContact O-N 3.42Å; I94-S98 PolarHBondContact O-OG 3.39Å; I94-L150 HydrophobicContact CB-CD1 4.38Å; I94-L150 HydrophobicContact CD1-CD2 3.81Å; I94-L150 HydrophobicContact CG1-CD1 3.83Å; I94-L150 HydrophobicContact CG1-CD2 3.76Å; I94-L150 HydrophobicContact CG1-CG 4.45Å; I94-L150 HydrophobicContact CG2-CD1 4.29Å
95M81Confident77.1Confident119 Ų11974.5 Ų74.559%0.58640%0.399SS*.Hα-helixtrans-60.9-40.7177.3-72.5-61.8-63.800112.7I91 F92 P93 M99I91-M95 PolarHBondContact O-N 3.38Å; F92-M95 PolarHBondContact O-N 3.16Å; P93-M95 PolarHBondContact O-N 3Å; M95-M99 PolarHBondContact O-N 3.49Å; M95-M99 VanDerWaalsContact O-N 3.16Å
96M78.2Confident78Confident80 Ų8079.7 Ų79.739%0.39441%0.414SS..Hα-helixtrans-63.2-47177.8-179.3-175.5-9300111.5I81 F92 P93 I94 M99 M100I81-M96 HydrophobicContact CG2-SD 3.69Å; F92-M96 HydrophobicContact CE1-CE 3.99Å; F92-M96 HydrophobicContact CZ-CE 4.23Å; F92-M96 PolarHBondContact O-N 2.81Å; F92-M96 VanDerWaalsContact O-N 3.08Å; P93-M96 PolarHBondContact O-N 3.22Å; I94-M96 VanDerWaalsContact C-N 3.32Å; I94-M96 PolarHBondContact O-N 3.42Å; M96-M99 PolarHBondContact O-N 3.34Å; M96-M100 WeakPolarHBondContact O-CB 3.37Å; M96-M100 PolarHBondContact O-N 3.01Å
97V78.9Confident79Confident10 Ų1079.4 Ų79.46%0.06141%0.409CS..Hα-helixtrans-69.7-38-179.4-178.50000111.1P93 I94 M99 M100 L101 K144 C145 M148P93-V97 WeakPolarHBondContact O-CB 3.22Å; P93-V97 VanDerWaalsContact O-CG2 3.28Å; P93-V97 WeakPolarHBondContact O-CG2 2.86Å; P93-V97 PolarHBondContact O-N 3.46Å; I94-V97 PolarHBondContact O-N 3.11Å; V97-M99 PolarHBondContact O-N 3.46Å; V97-M100 CarbonylContact O-C 3.6Å; V97-M100 WeakPolarHBondContact O-CA 3.38Å; V97-M100 WeakPolarHBondContact O-CB 3.38Å; V97-M100 PolarHBondContact O-N 2.81Å; V97-M100 VanDerWaalsContact O-N 3.11Å; V97-L101 PolarHBondContact O-N 3.01Å; V97-K144 HydrophobicContact CG2-CG 4.26Å; V97-C145 WeakPolarHBondContact CG1-SG 3.45Å; V97-M148 HydrophobicContact CG2-SD 4.07Å
98S82.8Confident80Confident55 Ų5577.1 Ų77.139%0.38540%0.396SS..Hα-helixtrans-58.1-47173.9-57.60000111.9I94 M100 L101 I102I94-S98 PolarHBondContact O-N 3.42Å; I94-S98 PolarHBondContact O-OG 3.39Å; S98-M100 VanDerWaalsContact C-N 3.31Å; S98-M100 PolarHBondContact O-N 3.46Å; S98-L101 PolarHBondContact O-N 3.4Å; S98-I102 WeakPolarHBondContact O-CD1 3.36Å; S98-I102 VanDerWaalsContact O-CG1 3.29Å; S98-I102 WeakPolarHBondContact O-CG1 3.2Å; S98-I102 PolarHBondContact O-N 3.4Å
99M82.3Confident81.2Confident99 Ų9980.2 Ų80.249%0.48841%0.406SS..Hα-helixtrans-65.7-34.8175.2-79.6-70.3173.500112.3M95 M96 V97 L101 I102 R103M95-M99 PolarHBondContact O-N 3.49Å; M95-M99 VanDerWaalsContact O-N 3.16Å; M96-M99 PolarHBondContact O-N 3.34Å; V97-M99 PolarHBondContact O-N 3.46Å; M99-L101 VanDerWaalsContact C-N 3.27Å; M99-L101 PolarHBondContact O-N 3.44Å; M99-I102 PolarHBondContact O-N 3.39Å; M99-R103 WeakPolarHBondContact O-CB 3.34Å; M99-R103 WeakPolarHBondContact O-CG 3.29Å; M99-R103 PolarHBondContact O-N 3.29Å
100M81.7Confident82.3Confident21 Ų2176.6 Ų76.610%0.10339%0.393CS..Hα-helixtrans-64.7-29.8175.4-166.4-173.6129.800112.6N78 M82 M96 V97 S98 P104 A141N78-M100 HydrophobicContact CB-CE 3.89Å; N78-M100 HydrophobicContact CB-SD 4.13Å; M82-M100 HydrophobicContact CE-CE 3.44Å; M82-M100 VanDerWaalsContact CE-CE 3.44Å; M82-M100 HydrophobicContact CE-SD 4.43Å; M82-M100 HydrophobicContact SD-CE 3.86Å; M96-M100 WeakPolarHBondContact O-CB 3.37Å; M96-M100 PolarHBondContact O-N 3.01Å; V97-M100 CarbonylContact O-C 3.6Å; V97-M100 WeakPolarHBondContact O-CA 3.38Å; V97-M100 WeakPolarHBondContact O-CB 3.38Å; V97-M100 PolarHBondContact O-N 2.81Å; V97-M100 VanDerWaalsContact O-N 3.11Å; S98-M100 VanDerWaalsContact C-N 3.31Å; S98-M100 PolarHBondContact O-N 3.46Å; M100-P104 WeakPolarHBondContact O-CD 3.38Å; M100-P104 VanDerWaalsContact O-CG 3.3Å; M100-P104 WeakPolarHBondContact O-CG 3.21Å; M100-A141 HydrophobicContact CE-CB 3.87Å
101L85.1Confident82.9Confident49 Ų4976 Ų7626%0.25739%0.385SS..Hα-helixtrans-78.6-44.2173-169.7158.4000111.6V97 S98 M99 R103 P104 V105 A141 L142V97-L101 PolarHBondContact O-N 3.01Å; S98-L101 PolarHBondContact O-N 3.4Å; M99-L101 VanDerWaalsContact C-N 3.27Å; M99-L101 PolarHBondContact O-N 3.44Å; L101-R103 VanDerWaalsContact C-N 3.33Å; L101-R103 PolarHBondContact O-N 2.89Å; L101-P104 VanDerWaalsContact O-CD 3.22Å; L101-P104 WeakPolarHBondContact O-CD 3.48Å; L101-P104 VanDerWaalsContact O-CG 3.32Å; L101-P104 WeakPolarHBondContact O-CG 3.39Å; L101-V105 HydrophobicContact CD2-CG2 3.98Å; L101-V105 VanDerWaalsContact O-CG2 3.29Å; L101-V105 WeakPolarHBondContact O-CG2 3.37Å; L101-V105 PolarHBondContact O-N 3.22Å; L101-A141 HydrophobicContact CB-CB 4.18Å; L101-L142 HydrophobicContact CD1-CD2 3.79Å; L101-L142 HydrophobicContact CD1-CG 4.3Å
102I86.9Confident83.2Confident89 Ų8978.1 Ų78.146%0.45639%0.389SS..Hα-helixtrans-65.3-36.2-177.6-67.2163.2000111.8S98 M99 V105 K106S98-I102 WeakPolarHBondContact O-CD1 3.36Å; S98-I102 VanDerWaalsContact O-CG1 3.29Å; S98-I102 WeakPolarHBondContact O-CG1 3.2Å; S98-I102 PolarHBondContact O-N 3.4Å; M99-I102 PolarHBondContact O-N 3.39Å; I102-V105 PolarHBondContact O-N 2.89Å; I102-K106 VanDerWaalsContact O-CB 3.27Å; I102-K106 WeakPolarHBondContact O-CB 3.35Å; I102-K106 PolarHBondContact O-N 3.37Å
103R85.8Confident83.6Confident168 Ų16873.6 Ų73.663%0.63438%0.38SS*.Hα-helixtrans-55.8-58.7179.6-79.2171.1-175.2-166.93.1113.7M99 L101 V105 K106 A107M99-R103 WeakPolarHBondContact O-CB 3.34Å; M99-R103 WeakPolarHBondContact O-CG 3.29Å; M99-R103 PolarHBondContact O-N 3.29Å; L101-R103 VanDerWaalsContact C-N 3.33Å; L101-R103 PolarHBondContact O-N 2.89Å; R103-V105 VanDerWaalsContact C-N 3.31Å; R103-V105 PolarHBondContact O-N 3.47Å; R103-K106 PolarHBondContact O-N 3.28Å; R103-A107 WeakPolarHBondContact O-CB 3.49Å; R103-A107 PolarHBondContact O-N 2.75Å
104P85.5Confident83.8Confident15 Ų1574.6 Ų74.610%0.09739%0.389CS..Hα-helixtrans-66.6-32.317926.1-34.7000112.2M100 L101 A107 L108 N134 I138M100-P104 WeakPolarHBondContact O-CD 3.38Å; M100-P104 VanDerWaalsContact O-CG 3.3Å; M100-P104 WeakPolarHBondContact O-CG 3.21Å; L101-P104 VanDerWaalsContact O-CD 3.22Å; L101-P104 WeakPolarHBondContact O-CD 3.48Å; L101-P104 VanDerWaalsContact O-CG 3.32Å; L101-P104 WeakPolarHBondContact O-CG 3.39Å; P104-A107 WeakPolarHBondContact O-CB 3.29Å; P104-A107 PolarHBondContact O-N 3Å; P104-L108 WeakPolarHBondContact O-CG 3.37Å; P104-L108 PolarHBondContact O-N 3.3Å; P104-N134 WeakPolarHBondContact CA-OD1 3.27Å; P104-N134 HydrophobicContact CB-CB 4.13Å; P104-N134 WeakPolarHBondContact CB-OD1 3.32Å; P104-N134 PolarHBondContact O-OD1 2.96Å; P104-I138 HydrophobicContact CB-CD1 4.36Å; P104-I138 HydrophobicContact CB-CG1 3.88Å; P104-I138 HydrophobicContact CG-CG1 3.66Å
105V89.8Confident83.9Confident54 Ų5472.6 Ų72.633%0.32738%0.378SS..Hα-helixtrans-62.1-48.6172.5173.60000110.8L101 I102 R103 A107 L108 L109 I138L101-V105 HydrophobicContact CD2-CG2 3.98Å; L101-V105 VanDerWaalsContact O-CG2 3.29Å; L101-V105 WeakPolarHBondContact O-CG2 3.37Å; L101-V105 PolarHBondContact O-N 3.22Å; I102-V105 PolarHBondContact O-N 2.89Å; R103-V105 VanDerWaalsContact C-N 3.31Å; R103-V105 PolarHBondContact O-N 3.47Å; V105-A107 VanDerWaalsContact C-N 3.27Å; V105-A107 PolarHBondContact O-N 3.25Å; V105-L108 WeakPolarHBondContact O-CB 3.28Å; V105-L108 PolarHBondContact O-N 3.26Å; V105-L109 HydrophobicContact CG1-CD1 4.24Å; V105-L109 WeakPolarHBondContact O-CG 3.49Å; V105-L109 PolarHBondContact O-N 3.14Å; V105-I138 HydrophobicContact CG2-CD1 3.76Å; V105-I138 HydrophobicContact CG2-CG1 4.11Å
106K89.3Confident83.7Confident149 Ų14977.2 Ų77.265%0.64839%0.389SS*.Hα-helixtrans-61.4-37.6175.6-174.7176.1-178.6176.30111.6I102 R103 L109 S110I102-K106 VanDerWaalsContact O-CB 3.27Å; I102-K106 WeakPolarHBondContact O-CB 3.35Å; I102-K106 PolarHBondContact O-N 3.37Å; R103-K106 PolarHBondContact O-N 3.28Å; K106-L109 PolarHBondContact O-N 2.89Å; K106-S110 VanDerWaalsContact O-CB 3.28Å; K106-S110 WeakPolarHBondContact O-CB 3.21Å; K106-S110 PolarHBondContact O-N 3.38Å
107A87.7Confident83.2Confident26 Ų2677.3 Ų77.322%0.21540%0.403CS..Hα-helixtrans-65.5-39.3176.900000112.1R103 P104 V105 S110 M111 Y130 N134R103-A107 WeakPolarHBondContact O-CB 3.49Å; R103-A107 PolarHBondContact O-N 2.75Å; P104-A107 WeakPolarHBondContact O-CB 3.29Å; P104-A107 PolarHBondContact O-N 3Å; V105-A107 VanDerWaalsContact C-N 3.27Å; V105-A107 PolarHBondContact O-N 3.25Å; A107-S110 PolarHBondContact O-N 3.42Å; A107-M111 PolarHBondContact O-N 2.93Å; A107-M111 VanDerWaalsContact O-N 3.14Å; A107-Y130 VanDerWaalsContact C-OH 3.3Å; A107-Y130 WeakPolarHBondContact CB-OH 3.49Å; A107-Y130 WeakPolarHBondContact O-CE1 3.47Å; A107-Y130 PolarHBondContact O-OH 2.81Å; A107-N134 WeakPolarHBondContact CB-OD1 3.31Å
108L88.8Confident82.8Confident49 Ų4977.6 Ų77.626%0.25740%0.404SS..Hα-helixtrans-64.4-45.3172.5-73.5172.3000111.6P104 V105 S110 M111 I131 N134 I138P104-L108 WeakPolarHBondContact O-CG 3.37Å; P104-L108 PolarHBondContact O-N 3.3Å; V105-L108 WeakPolarHBondContact O-CB 3.28Å; V105-L108 PolarHBondContact O-N 3.26Å; L108-S110 VanDerWaalsContact C-N 3.31Å; L108-S110 PolarHBondContact O-N 3.44Å; L108-M111 WeakPolarHBondContact O-CB 3.15Å; L108-M111 PolarHBondContact O-N 3.43Å; L108-I131 HydrophobicContact CD2-CB 4.25Å; L108-I131 HydrophobicContact CD2-CG1 4.14Å; L108-I131 HydrophobicContact CD2-CG2 4.15Å; L108-N134 HydrophobicContact CD1-CB 4Å; L108-N134 HydrophobicContact CD2-CB 3.61Å; L108-N134 HydrophobicContact CG-CB 3.58Å; L108-I138 HydrophobicContact CD1-CD1 3.57Å
109L89.3Confident82Confident143 Ų14384 Ų8475%0.74943%0.428SS*.Hα-helixtrans-65.3-34.2178.1-65.9174.7000112.4V105 K106 M111V105-L109 HydrophobicContact CG1-CD1 4.24Å; V105-L109 WeakPolarHBondContact O-CG 3.49Å; V105-L109 PolarHBondContact O-N 3.14Å; K106-L109 PolarHBondContact O-N 2.89Å; L109-M111 VanDerWaalsContact C-N 3.33Å
110S86.7Confident81.2Confident61 Ų6182.6 Ų82.643%0.42742%0.419SS..THydrogen-bonded Turntrans-89.17.7178.5-1570000113.8K106 A107 L108 K112 A113 A114K106-S110 VanDerWaalsContact O-CB 3.28Å; K106-S110 WeakPolarHBondContact O-CB 3.21Å; K106-S110 PolarHBondContact O-N 3.38Å; A107-S110 PolarHBondContact O-N 3.42Å; L108-S110 VanDerWaalsContact C-N 3.31Å; L108-S110 PolarHBondContact O-N 3.44Å; S110-K112 PolarHBondContact O-N 3.12Å; S110-A113 WeakPolarHBondContact O-CB 3.43Å; S110-A113 PolarHBondContact O-N 2.83Å; S110-A114 PolarHBondContact O-N 3.48Å; S110-A114 VanDerWaalsContact O-N 3.1Å
111M83.5Confident80.4Confident42 Ų4290.3 Ų90.321%0.20746%0.455CS..Hα-helixtrans-54.1-41-178.8-177.6179.671.500112.4A107 L108 L109 A113 A114 F115 Y130 I131A107-M111 PolarHBondContact O-N 2.93Å; A107-M111 VanDerWaalsContact O-N 3.14Å; L108-M111 WeakPolarHBondContact O-CB 3.15Å; L108-M111 PolarHBondContact O-N 3.43Å; L109-M111 VanDerWaalsContact C-N 3.33Å; M111-A113 PolarHBondContact O-N 2.87Å; M111-A114 PolarHBondContact O-N 2.86Å; M111-F115 HydrophobicContact CG-CD2 3.55Å; M111-F115 HydrophobicContact CG-CE2 3.62Å; M111-F115 WeakPolarHBondContact O-CD2 3.49Å; M111-F115 PolarHBondContact O-N 2.87Å; M111-F115 HydrophobicContact SD-CE2 4.27Å; M111-Y130 HydrophobicContact CB-CD1 4.31Å; M111-Y130 HydrophobicContact CB-CE1 3.87Å; M111-Y130 HydrophobicContact CG-CD1 3.81Å; M111-Y130 HydrophobicContact CG-CE1 3.86Å; M111-Y130 HydrophobicContact SD-CD1 3.97Å; M111-Y130 HydrophobicContact SD-CE1 4.46Å; M111-I131 HydrophobicContact CE-CD1 4.14Å; M111-I131 HydrophobicContact CE-CG1 4.5Å; M111-I131 HydrophobicContact SD-CD1 3.83Å; M111-I131 HydrophobicContact SD-CG1 3.63Å
112K81Confident79.7Confident186 Ų18694.6 Ų94.681%0.80948%0.478SS*.Hα-helixtrans-58.5-36.9177.4-67.1-177.8178.8177.50112.3S110 R116S110-K112 PolarHBondContact O-N 3.12Å; K112-R116 PolarHBondContact O-N 3.45Å; K112-R116 VanDerWaalsContact O-N 3.15Å
113A82Confident79.3Confident60 Ų6090.7 Ų90.750%0.49646%0.458SS..Hα-helixtrans-74.2-4017800000111.6S110 M111 F115 R116S110-A113 WeakPolarHBondContact O-CB 3.43Å; S110-A113 PolarHBondContact O-N 2.83Å; M111-A113 PolarHBondContact O-N 2.87Å; A113-F115 VanDerWaalsContact C-N 3.33Å; A113-F115 PolarHBondContact O-N 3.25Å; A113-R116 WeakPolarHBondContact O-CB 3.36Å; A113-R116 PolarHBondContact O-N 2.91Å
114A76.8Confident79.2Confident33 Ų3389.3 Ų89.327%0.27346%0.462SS..Hα-helixtrans-60.8-41.3177.600000112.3S110 M111S110-A114 PolarHBondContact O-N 3.48Å; S110-A114 VanDerWaalsContact O-N 3.1Å; M111-A114 PolarHBondContact O-N 2.86Å
115F79.7Confident79.2Confident17 Ų1790.1 Ų90.18%0.07547%0.473CS..Hα-helixtrans-86.9-7.1178.8-71.2-74.1000114.1T64 M111 A113 A117 V118 L123 E126 K127 Y130T64-F115 HydrophobicContact CG2-CD1 4.37Å; T64-F115 HydrophobicContact CG2-CE1 4.02Å; M111-F115 HydrophobicContact CG-CD2 3.55Å; M111-F115 HydrophobicContact CG-CE2 3.62Å; M111-F115 WeakPolarHBondContact O-CD2 3.49Å; M111-F115 PolarHBondContact O-N 2.87Å; M111-F115 HydrophobicContact SD-CE2 4.27Å; A113-F115 VanDerWaalsContact C-N 3.33Å; A113-F115 PolarHBondContact O-N 3.25Å; F115-A117 PolarHBondContact O-N 2.91Å; F115-V118 PolarHBondContact O-N 3.4Å; F115-L123 HydrophobicContact CD1-CD2 3.45Å; F115-L123 VanDerWaalsContact CD1-CD2 3.45Å; F115-L123 HydrophobicContact CE1-CD2 3.97Å; F115-L123 HydrophobicContact CG-CD2 4.43Å; F115-E126 HydrophobicContact CE1-CB 4.11Å; F115-E126 HydrophobicContact CZ-CB 4.49Å; F115-K127 HydrophobicContact CD2-CG 4.06Å; F115-K127 HydrophobicContact CE1-CG 4.36Å; F115-K127 HydrophobicContact CE2-CG 3.9Å; F115-K127 HydrophobicContact CG-CG 4.37Å; F115-K127 HydrophobicContact CZ-CG 4.05Å; F115-Y130 HydrophobicContact CE2-CD1 4.2Å; F115-Y130 HydrophobicContact CE2-CG 4.03Å; F115-Y130 HydrophobicContact CZ-CG 4.3Å
116R75.2Confident79.1Confident216 Ų21688.7 Ų88.782%0.81546%0.463SS*.Hα-helixtrans-62.1-28.8175.4-170.5178.5-179.8-1670.5112.3K112 A113 V118K112-R116 PolarHBondContact O-N 3.45Å; K112-R116 VanDerWaalsContact O-N 3.15Å; A113-R116 WeakPolarHBondContact O-CB 3.36Å; A113-R116 PolarHBondContact O-N 2.91Å; R116-V118 PolarHBondContact O-N 3.18Å
117A69.4Low78.9Confident82 Ų8285.5 Ų85.568%0.67845%0.449SS*.THydrogen-bonded Turntrans-71.9-11.9177.400000113.5F115F115-A117 PolarHBondContact O-N 2.91Å
118V70.4Confident79.1Confident15 Ų1590.9 Ų90.99%0.09147%0.468CS..  trans-119.199.9-177.7-1710000109.3T64 F115 R116 K120 L123T64-V118 HydrophobicContact CG2-CG1 4.28Å; T64-V118 HydrophobicContact CG2-CG2 4.37Å; T64-V118 WeakPolarHBondContact OG1-CG1 3.32Å; T64-V118 WeakPolarHBondContact OG1-CG2 3.35Å; F115-V118 PolarHBondContact O-N 3.4Å; R116-V118 PolarHBondContact O-N 3.18Å; V118-K120 HydrophobicContact CG1-CB 4.37Å; V118-K120 HydrophobicContact CG1-CG 4.33Å; V118-K120 PolarHBondContact O-N 3.11Å; V118-L123 HydrophobicContact CB-CD2 3.84Å; V118-L123 HydrophobicContact CG1-CD1 4.46Å; V118-L123 HydrophobicContact CG1-CD2 3.75Å; V118-L123 HydrophobicContact CG1-CG 4.46Å
119Q64.7Low79.1Confident189 Ų18990 Ų9088%0.88347%0.465SS*.  trans-78.824.7-176.5-67.2177.9-18.100114.3
120K65.5Low79.1Confident71 Ų7184.2 Ų84.231%0.30943%0.433SS..  trans-78.7145.5176.1-69.7-172.4175.4-162.10109.9Q57 V61 V118 N122 L123Q57-K120 PolarHBondContact O-NZ 3.23Å; V61-K120 HydrophobicContact CG2-CD 4.35Å; V118-K120 HydrophobicContact CG1-CB 4.37Å; V118-K120 HydrophobicContact CG1-CG 4.33Å; V118-K120 PolarHBondContact O-N 3.11Å; K120-N122 VanDerWaalsContact C-N 3.34Å; K120-L123 HydrophobicContact CB-CD1 3.4Å; K120-L123 VanDerWaalsContact CB-CD1 3.4Å; K120-L123 HydrophobicContact CB-CG 4.33Å; K120-L123 WeakPolarHBondContact O-CD1 3.26Å
121E66.2Low79.4Confident183 Ų18384.5 Ų84.586%0.85543%0.429SS*.SBendtrans-77.3-25.4-179.3-62.3-166.3153.500112
122N69Low79.8Confident139 Ų13987.8 Ų87.874%0.74344%0.442SS*.  trans-117.662.7-169.5-61.7-40.3000113.1K120K120-N122 VanDerWaalsContact C-N 3.34Å
123L78.3Confident80.2Confident7 Ų779 Ų794%0.03740%0.404CS..  trans-98.229.8174.4-64.679.1000113.6T64 F115 V118 K120 G125 E126 K127T64-L123 HydrophobicContact CG2-CD2 3.41Å; T64-L123 VanDerWaalsContact CG2-CD2 3.41Å; T64-L123 HydrophobicContact CG2-CG 4.11Å; F115-L123 HydrophobicContact CD1-CD2 3.45Å; F115-L123 VanDerWaalsContact CD1-CD2 3.45Å; F115-L123 HydrophobicContact CE1-CD2 3.97Å; F115-L123 HydrophobicContact CG-CD2 4.43Å; V118-L123 HydrophobicContact CB-CD2 3.84Å; V118-L123 HydrophobicContact CG1-CD1 4.46Å; V118-L123 HydrophobicContact CG1-CD2 3.75Å; V118-L123 HydrophobicContact CG1-CG 4.46Å; K120-L123 HydrophobicContact CB-CD1 3.4Å; K120-L123 VanDerWaalsContact CB-CD1 3.4Å; K120-L123 HydrophobicContact CB-CG 4.33Å; K120-L123 WeakPolarHBondContact O-CD1 3.26Å; L123-G125 VanDerWaalsContact C-N 3.32Å; L123-G125 PolarHBondContact O-N 2.96Å; L123-E126 VanDerWaalsContact C-OE2 3.31Å; L123-E126 WeakPolarHBondContact CA-OE2 3.4Å; L123-E126 HydrophobicContact CB-CB 4.45Å; L123-K127 WeakPolarHBondContact O-CB 2.96Å; L123-K127 WeakPolarHBondContact O-CG 3.24Å; L123-K127 PolarHBondContact O-N 3.44Å
124I83.8Confident80.7Confident139 Ų13976.5 Ų76.571%0.71338%0.383SS*.Hα-helixtrans-65.6-38.3-173.2-168.662.8000111.6F128I124-F128 WeakPolarHBondContact O-CB 3.36Å; I124-F128 PolarHBondContact O-N 3.4Å
125G86.3Confident81.4Confident32 Ų3277.8 Ų77.833%0.3339%0.387SS..Hα-helixtrans-67.2-46.1178.500000112L123 K127 F128 V129L123-G125 VanDerWaalsContact C-N 3.32Å; L123-G125 PolarHBondContact O-N 2.96Å; G125-K127 PolarHBondContact O-N 2.93Å; G125-F128 PolarHBondContact O-N 3.42Å; G125-V129 WeakPolarHBondContact O-CG2 3.44Å; G125-V129 PolarHBondContact O-N 3.28Å
126E86.5Confident82Confident24 Ų2479 Ų7911%0.11239%0.394CS..Hα-helixtrans-65.4-38.5179.7-63.394.1152.200111.7T64 W65 A68 F115 L123 Y130T64-E126 HydrophobicContact CG2-CB 3.85Å; T64-E126 HydrophobicContact CG2-CG 3.73Å; W65-E126 HydrophobicContact CD2-CG 4.22Å; W65-E126 HydrophobicContact CG-CG 4.43Å; W65-E126 HydrophobicContact CZ2-CG 4.42Å; W65-E126 PolarHBondContact NE1-OE1 3.3Å; A68-E126 HydrophobicContact CB-CB 3.81Å; A68-E126 HydrophobicContact CB-CG 4.34Å; A68-E126 VanDerWaalsContact CB-O 3.31Å; A68-E126 WeakPolarHBondContact CB-O 3.43Å; F115-E126 HydrophobicContact CE1-CB 4.11Å; F115-E126 HydrophobicContact CZ-CB 4.49Å; L123-E126 VanDerWaalsContact C-OE2 3.31Å; L123-E126 WeakPolarHBondContact CA-OE2 3.4Å; L123-E126 HydrophobicContact CB-CB 4.45Å; E126-Y130 WeakPolarHBondContact O-CB 3.28Å; E126-Y130 PolarHBondContact O-N 3.45Å
127K86.8Confident82.6Confident81 Ų8169 Ų6935%0.35236%0.358SS..Hα-helixtrans-63.3-44172.6-73.8171.3-175.5174.60111.6F115 L123 G125 Y130 I131F115-K127 HydrophobicContact CD2-CG 4.06Å; F115-K127 HydrophobicContact CE1-CG 4.36Å; F115-K127 HydrophobicContact CE2-CG 3.9Å; F115-K127 HydrophobicContact CG-CG 4.37Å; F115-K127 HydrophobicContact CZ-CG 4.05Å; L123-K127 WeakPolarHBondContact O-CB 2.96Å; L123-K127 WeakPolarHBondContact O-CG 3.24Å; L123-K127 PolarHBondContact O-N 3.44Å; G125-K127 PolarHBondContact O-N 2.93Å; K127-Y130 PolarHBondContact O-N 2.96Å; K127-I131 VanDerWaalsContact O-CG1 3.29Å; K127-I131 WeakPolarHBondContact O-CG1 3.26Å; K127-I131 PolarHBondContact O-N 3.43Å
128F90.6Very high83.5Confident139 Ų13966.6 Ų66.661%0.6133%0.333SS*.Hα-helixtrans-61.4-47.1178.4-177.2-95.6000111.6I124 G125 Y130 I131 F132I124-F128 WeakPolarHBondContact O-CB 3.36Å; I124-F128 PolarHBondContact O-N 3.4Å; G125-F128 PolarHBondContact O-N 3.42Å; F128-Y130 VanDerWaalsContact C-N 3.33Å; F128-Y130 PolarHBondContact O-N 2.92Å; F128-I131 PolarHBondContact O-N 2.95Å; F128-F132 VanDerWaalsContact O-CB 3.26Å; F128-F132 WeakPolarHBondContact O-CB 3.47Å; F128-F132 PolarHBondContact O-N 3.23Å
129V90.3Very high84.5Confident32 Ų3270.9 Ų70.919%0.19436%0.355CS..Hα-helixtrans-61.2-41.7177.3174.30000111.4W65 A68 L69 G125 F132 G133W65-V129 HydrophobicContact CZ3-CG2 4.26Å; A68-V129 HydrophobicContact CB-CB 4.41Å; A68-V129 HydrophobicContact CB-CG1 4.41Å; L69-V129 HydrophobicContact CD2-CG1 3.94Å; G125-V129 WeakPolarHBondContact O-CG2 3.44Å; G125-V129 PolarHBondContact O-N 3.28Å; V129-F132 PolarHBondContact O-N 3.43Å; V129-G133 PolarHBondContact O-N 2.87Å
130Y89.5Confident85.6Confident20 Ų2063.9 Ų63.98%0.07832%0.324CS..Hα-helixtrans-62.3-45.4176.4-178.2-93.8000112.3P71 A107 M111 F115 E126 K127 F128 N134P71-Y130 HydrophobicContact CG-CD2 3.49Å; P71-Y130 VanDerWaalsContact CG-CD2 3.49Å; P71-Y130 HydrophobicContact CG-CE2 3.53Å; P71-Y130 HydrophobicContact CG-CG 4.29Å; A107-Y130 VanDerWaalsContact C-OH 3.3Å; A107-Y130 WeakPolarHBondContact CB-OH 3.49Å; A107-Y130 WeakPolarHBondContact O-CE1 3.47Å; A107-Y130 PolarHBondContact O-OH 2.81Å; M111-Y130 HydrophobicContact CB-CD1 4.31Å; M111-Y130 HydrophobicContact CB-CE1 3.87Å; M111-Y130 HydrophobicContact CG-CD1 3.81Å; M111-Y130 HydrophobicContact CG-CE1 3.86Å; M111-Y130 HydrophobicContact SD-CD1 3.97Å; M111-Y130 HydrophobicContact SD-CE1 4.46Å; F115-Y130 HydrophobicContact CE2-CD1 4.2Å; F115-Y130 HydrophobicContact CE2-CG 4.03Å; F115-Y130 HydrophobicContact CZ-CG 4.3Å; E126-Y130 WeakPolarHBondContact O-CB 3.28Å; E126-Y130 PolarHBondContact O-N 3.45Å; K127-Y130 PolarHBondContact O-N 2.96Å; F128-Y130 VanDerWaalsContact C-N 3.33Å; F128-Y130 PolarHBondContact O-N 2.92Å; Y130-N134 WeakPolarHBondContact CE1-ND2 3.34Å; Y130-N134 PolarHBondContact O-N 3.31Å; Y130-N134 PolarHBondContact O-ND2 3.27Å
131I91.3Very high86.5Confident67 Ų6760.5 Ų60.534%0.34431%0.309SS..Hα-helixtrans-63.6-48.3177.3-66.9165.7000109.8L108 M111 K127 F128 G133 N134 V135L108-I131 HydrophobicContact CD2-CB 4.25Å; L108-I131 HydrophobicContact CD2-CG1 4.14Å; L108-I131 HydrophobicContact CD2-CG2 4.15Å; M111-I131 HydrophobicContact CE-CD1 4.14Å; M111-I131 HydrophobicContact CE-CG1 4.5Å; M111-I131 HydrophobicContact SD-CD1 3.83Å; M111-I131 HydrophobicContact SD-CG1 3.63Å; K127-I131 VanDerWaalsContact O-CG1 3.29Å; K127-I131 WeakPolarHBondContact O-CG1 3.26Å; K127-I131 PolarHBondContact O-N 3.43Å; F128-I131 PolarHBondContact O-N 2.95Å; I131-G133 PolarHBondContact O-N 3.18Å; I131-N134 PolarHBondContact O-N 2.85Å; I131-V135 HydrophobicContact CG2-CG2 4.08Å; I131-V135 VanDerWaalsContact O-CG2 3.31Å; I131-V135 WeakPolarHBondContact O-CG2 3.31Å; I131-V135 PolarHBondContact O-N 2.98Å
132F92.5Very high87.5Confident111 Ų11154.9 Ų54.949%0.48729%0.285SS..Hα-helixtrans-57.4-46.2-179.5-174.3-106.4000112.2F128 V129 N134 V135 I136F128-F132 VanDerWaalsContact O-CB 3.26Å; F128-F132 WeakPolarHBondContact O-CB 3.47Å; F128-F132 PolarHBondContact O-N 3.23Å; V129-F132 PolarHBondContact O-N 3.43Å; F132-N134 PolarHBondContact O-N 3.2Å; F132-V135 PolarHBondContact O-N 2.91Å; F132-I136 HydrophobicContact CD1-CD1 3.64Å; F132-I136 HydrophobicContact CE1-CD1 3.26Å; F132-I136 HydrophobicContact CE1-CG1 4.37Å; F132-I136 HydrophobicContact CE2-CD1 4.31Å; F132-I136 HydrophobicContact CG-CD1 4.33Å; F132-I136 HydrophobicContact CZ-CD1 3.64Å; F132-I136 HydrophobicContact CZ-CG1 4.41Å; F132-I136 WeakPolarHBondContact O-CG1 3.44Å; F132-I136 PolarHBondContact O-N 3.02Å
133G90.3Very high88.3Confident1 Ų156.6 Ų56.61%0.0128%0.282CS..Hα-helixtrans-61.8-40.317700000113.4V129 I131 G137V129-G133 PolarHBondContact O-N 2.87Å; I131-G133 PolarHBondContact O-N 3.18Å; G133-G137 PolarHBondContact O-N 2.99Å; G133-G137 VanDerWaalsContact O-N 3.11Å
134N91.3Very high88.5Confident9 Ų957.4 Ų57.45%0.04829%0.285CS..Hα-helixtrans-70.5-38.9176-77-72.2000112.5P71 P104 A107 L108 Y130 I131 F132 G137 I138P71-N134 VanDerWaalsContact CG-ND2 3.34Å; P71-N134 WeakPolarHBondContact CG-ND2 3.3Å; P104-N134 WeakPolarHBondContact CA-OD1 3.27Å; P104-N134 HydrophobicContact CB-CB 4.13Å; P104-N134 WeakPolarHBondContact CB-OD1 3.32Å; P104-N134 PolarHBondContact O-OD1 2.96Å; A107-N134 WeakPolarHBondContact CB-OD1 3.31Å; L108-N134 HydrophobicContact CD1-CB 4Å; L108-N134 HydrophobicContact CD2-CB 3.61Å; L108-N134 HydrophobicContact CG-CB 3.58Å; Y130-N134 WeakPolarHBondContact CE1-ND2 3.34Å; Y130-N134 PolarHBondContact O-N 3.31Å; Y130-N134 PolarHBondContact O-ND2 3.27Å; I131-N134 PolarHBondContact O-N 2.85Å; F132-N134 PolarHBondContact O-N 3.2Å; N134-G137 PolarHBondContact O-N 2.79Å; N134-I138 WeakPolarHBondContact O-CG1 3.47Å; N134-I138 PolarHBondContact O-N 3.26Å
135V92.6Very high88.3Confident59 Ų5951.3 Ų51.336%0.35826%0.255SS..Hα-helixtrans-62.1-44.8176.2169.80000110.6I131 F132 G137 I138 L139I131-V135 HydrophobicContact CG2-CG2 4.08Å; I131-V135 VanDerWaalsContact O-CG2 3.31Å; I131-V135 WeakPolarHBondContact O-CG2 3.31Å; I131-V135 PolarHBondContact O-N 2.98Å; F132-V135 PolarHBondContact O-N 2.91Å; V135-G137 VanDerWaalsContact C-N 3.29Å; V135-G137 PolarHBondContact O-N 3.28Å; V135-I138 PolarHBondContact O-N 3.44Å; V135-L139 HydrophobicContact CG1-CD1 3.98Å; V135-L139 HydrophobicContact CG1-CG 4.32Å; V135-L139 WeakPolarHBondContact O-CG 3.29Å; V135-L139 PolarHBondContact O-N 3.01Å
136I91.3Very high88.1Confident43 Ų4352.3 Ų52.322%0.22126%0.257CS..Hα-helixtrans-57.5-45.3172.9-70.7168.1000110.6V75 F132 I138 L139 L140V75-I136 HydrophobicContact CG1-CG2 4.09Å; V75-I136 HydrophobicContact CG2-CG2 3.99Å; F132-I136 HydrophobicContact CD1-CD1 3.64Å; F132-I136 HydrophobicContact CE1-CD1 3.26Å; F132-I136 HydrophobicContact CE1-CG1 4.37Å; F132-I136 HydrophobicContact CE2-CD1 4.31Å; F132-I136 HydrophobicContact CG-CD1 4.33Å; F132-I136 HydrophobicContact CZ-CD1 3.64Å; F132-I136 HydrophobicContact CZ-CG1 4.41Å; F132-I136 WeakPolarHBondContact O-CG1 3.44Å; F132-I136 PolarHBondContact O-N 3.02Å; I136-I138 VanDerWaalsContact C-N 3.33Å; I136-I138 PolarHBondContact O-N 3.21Å; I136-L139 PolarHBondContact O-N 3.04Å; I136-L140 HydrophobicContact CG2-CD1 3.84Å; I136-L140 HydrophobicContact CG2-CG 4.29Å; I136-L140 VanDerWaalsContact O-CG 3.3Å; I136-L140 WeakPolarHBondContact O-CG 3.29Å; I136-L140 PolarHBondContact O-N 3.43Å
137G87.5Confident87.8Confident7 Ų753.4 Ų53.47%0.07227%0.27CS..Hα-helixtrans-58-43.3176.600000113.2G133 N134 V135 A141G133-G137 PolarHBondContact O-N 2.99Å; G133-G137 VanDerWaalsContact O-N 3.11Å; N134-G137 PolarHBondContact O-N 2.79Å; V135-G137 VanDerWaalsContact C-N 3.29Å; V135-G137 PolarHBondContact O-N 3.28Å; G137-A141 WeakPolarHBondContact O-CB 3.44Å; G137-A141 PolarHBondContact O-N 2.94Å
138I89.4Confident87.3Confident30 Ų3049.9 Ų49.915%0.15425%0.254CS..Hα-helixtrans-65.7-45.7176.7-67.3164.6000110.9P104 V105 L108 N134 V135 I136 L140 A141 L142P104-I138 HydrophobicContact CB-CD1 4.36Å; P104-I138 HydrophobicContact CB-CG1 3.88Å; P104-I138 HydrophobicContact CG-CG1 3.66Å; V105-I138 HydrophobicContact CG2-CD1 3.76Å; V105-I138 HydrophobicContact CG2-CG1 4.11Å; L108-I138 HydrophobicContact CD1-CD1 3.57Å; N134-I138 WeakPolarHBondContact O-CG1 3.47Å; N134-I138 PolarHBondContact O-N 3.26Å; V135-I138 PolarHBondContact O-N 3.44Å; I136-I138 VanDerWaalsContact C-N 3.33Å; I136-I138 PolarHBondContact O-N 3.21Å; I138-L140 VanDerWaalsContact C-N 3.34Å; I138-L140 PolarHBondContact O-N 3.2Å; I138-A141 WeakPolarHBondContact O-CB 3.41Å; I138-A141 PolarHBondContact O-N 2.93Å; I138-L142 HydrophobicContact CG2-CD1 3.85Å; I138-L142 HydrophobicContact CG2-CG 4.28Å; I138-L142 WeakPolarHBondContact O-CB 3.46Å; I138-L142 WeakPolarHBondContact O-CG 3.3Å; I138-L142 PolarHBondContact O-N 3.45Å
139L90.6Very high86.5Confident106 Ų10645.1 Ų45.156%0.55525%0.245SC*.Hα-helixtrans-61.1-43.4179.1-72.6173.6000111.6V135 I136 L142 Y143V135-L139 HydrophobicContact CG1-CD1 3.98Å; V135-L139 HydrophobicContact CG1-CG 4.32Å; V135-L139 WeakPolarHBondContact O-CG 3.29Å; V135-L139 PolarHBondContact O-N 3.01Å; I136-L139 PolarHBondContact O-N 3.04Å; L139-L142 PolarHBondContact O-N 3.29Å; L139-Y143 WeakPolarHBondContact O-CB 3.36Å; L139-Y143 PolarHBondContact O-N 3.41Å
140L87.5Confident85.7Confident42 Ų4246.7 Ų46.722%0.2225%0.252CS..Hα-helixtrans-65.4-40.1175.8-67.1170.8000112.1V75 M82 I136 I138 Y143 K144V75-L140 HydrophobicContact CG1-CD1 3.61Å; M82-L140 HydrophobicContact CE-CB 3.72Å; M82-L140 HydrophobicContact CE-CD1 4.34Å; M82-L140 HydrophobicContact SD-CB 4.31Å; I136-L140 HydrophobicContact CG2-CD1 3.84Å; I136-L140 HydrophobicContact CG2-CG 4.29Å; I136-L140 VanDerWaalsContact O-CG 3.3Å; I136-L140 WeakPolarHBondContact O-CG 3.29Å; I136-L140 PolarHBondContact O-N 3.43Å; I138-L140 VanDerWaalsContact C-N 3.34Å; I138-L140 PolarHBondContact O-N 3.2Å; L140-Y143 PolarHBondContact O-N 3.41Å; L140-K144 PolarHBondContact O-N 3.26Å
141A85Confident85.1Confident0 Ų048 Ų480%026%0.26CS..Hα-helixtrans-61.2-46.9174.700000111.5M100 L101 G137 I138 K144 C145M100-A141 HydrophobicContact CE-CB 3.87Å; L101-A141 HydrophobicContact CB-CB 4.18Å; G137-A141 WeakPolarHBondContact O-CB 3.44Å; G137-A141 PolarHBondContact O-N 2.94Å; I138-A141 WeakPolarHBondContact O-CB 3.41Å; I138-A141 PolarHBondContact O-N 2.93Å; A141-K144 PolarHBondContact O-N 2.88Å; A141-C145 PolarHBondContact O-N 2.87Å; A141-C145 PolarHBondContact O-SG 2.89Å; A141-C145 VanDerWaalsContact O-SG 3.34Å
142L87.3Confident84.2Confident65 Ų6548.7 Ų48.734%0.3427%0.269SS..Hα-helixtrans-63.2-41.1177.5-74.2172.8000111.9L101 I138 L139 K144 C145 S146L101-L142 HydrophobicContact CD1-CD2 3.79Å; L101-L142 HydrophobicContact CD1-CG 4.3Å; I138-L142 HydrophobicContact CG2-CD1 3.85Å; I138-L142 HydrophobicContact CG2-CG 4.28Å; I138-L142 WeakPolarHBondContact O-CB 3.46Å; I138-L142 WeakPolarHBondContact O-CG 3.3Å; I138-L142 PolarHBondContact O-N 3.45Å; L139-L142 PolarHBondContact O-N 3.29Å; L142-K144 VanDerWaalsContact C-N 3.3Å; L142-K144 PolarHBondContact O-N 2.87Å; L142-C145 PolarHBondContact O-N 3.02Å; L142-S146 WeakPolarHBondContact O-CB 3.33Å; L142-S146 PolarHBondContact O-N 3.49Å
143Y86.3Confident83.6Confident175 Ų17547.6 Ų47.669%0.68627%0.271SS*.Hα-helixtrans-58.8-42.9173.8178.5-102.5000111.2L139 L140 S146 A147L139-Y143 WeakPolarHBondContact O-CB 3.36Å; L139-Y143 PolarHBondContact O-N 3.41Å; L140-Y143 PolarHBondContact O-N 3.41Å; Y143-S146 PolarHBondContact O-N 3.34Å; Y143-A147 WeakPolarHBondContact O-CB 3.41Å; Y143-A147 PolarHBondContact O-N 3.42Å
144K81.7Confident82.8Confident23 Ų2352.7 Ų52.710%0.130%0.295CS..Hα-helixtrans-67.3-41.8175.5-16970.5-176.7-176.90112.5M82 G86 V97 L140 A141 L142 S146 A147 M148M82-K144 HydrophobicContact CB-CD 4.17Å; M82-K144 HydrophobicContact CG-CB 4.29Å; M82-K144 HydrophobicContact CG-CD 4.04Å; M82-K144 HydrophobicContact CG-CG 4.05Å; M82-K144 PolarHBondContact O-NZ 3.34Å; M82-K144 HydrophobicContact SD-CB 3.81Å; M82-K144 HydrophobicContact SD-CD 4.45Å; M82-K144 HydrophobicContact SD-CG 4.24Å; G86-K144 PolarHBondContact O-NZ 3.19Å; V97-K144 HydrophobicContact CG2-CG 4.26Å; L140-K144 PolarHBondContact O-N 3.26Å; A141-K144 PolarHBondContact O-N 2.88Å; L142-K144 VanDerWaalsContact C-N 3.3Å; L142-K144 PolarHBondContact O-N 2.87Å; K144-S146 VanDerWaalsContact C-N 3.3Å; K144-S146 PolarHBondContact O-N 3.4Å; K144-A147 PolarHBondContact O-N 2.86Å; K144-M148 VanDerWaalsContact CE-CE 3.48Å; K144-M148 HydrophobicContact CG-CE 4.47Å; K144-M148 HydrophobicContact CG-SD 4.11Å; K144-M148 WeakPolarHBondContact O-CB 3.46Å; K144-M148 WeakPolarHBondContact O-CG 3.41Å; K144-M148 PolarHBondContact O-N 3.22Å
145C79.8Confident82Confident12 Ų1260.6 Ų60.68%0.08133%0.331CS..Hα-helixtrans-59.3-41.4174-69.60000111.9V97 A141 L142 M148 G149 L150 L151V97-C145 WeakPolarHBondContact CG1-SG 3.45Å; A141-C145 PolarHBondContact O-N 2.87Å; A141-C145 PolarHBondContact O-SG 2.89Å; A141-C145 VanDerWaalsContact O-SG 3.34Å; L142-C145 PolarHBondContact O-N 3.02Å; C145-M148 PolarHBondContact O-N 3.39Å; C145-G149 PolarHBondContact O-N 2.98Å; C145-L150 PolarHBondContact O-N 3.25Å; C145-L151 HydrophobicContact CB-CD1 4.01Å; C145-L151 HydrophobicContact CB-CD2 4.13Å; C145-L151 HydrophobicContact CB-CG 3.79Å
146S83Confident81.4Confident53 Ų5361.5 Ų61.537%0.37134%0.34SS..Hα-helixtrans-64.2-46.6175.2-178.70000111L142 Y143 K144 M148 G149L142-S146 WeakPolarHBondContact O-CB 3.33Å; L142-S146 PolarHBondContact O-N 3.49Å; Y143-S146 PolarHBondContact O-N 3.34Å; K144-S146 VanDerWaalsContact C-N 3.3Å; K144-S146 PolarHBondContact O-N 3.4Å; S146-M148 VanDerWaalsContact C-N 3.29Å; S146-M148 PolarHBondContact O-N 3.45Å; S146-G149 PolarHBondContact O-N 3.04Å
147A78.5Confident81Confident46 Ų4662.4 Ų62.438%0.3835%0.345SS..Hα-helixtrans-61.9-34.9177.800000113.2N87 Y143 K144 G149N87-A147 PolarHBondContact ND2-O 3.34Å; N87-A147 VanDerWaalsContact OD1-C 3.28Å; N87-A147 PolarHBondContact OD1-O 3.47Å; Y143-A147 WeakPolarHBondContact O-CB 3.41Å; Y143-A147 PolarHBondContact O-N 3.42Å; K144-A147 PolarHBondContact O-N 2.86Å; A147-G149 VanDerWaalsContact C-N 3.28Å; A147-G149 PolarHBondContact O-N 2.91Å
148M76.1Confident81Confident7 Ų768.8 Ų68.83%0.03437%0.367CS..THydrogen-bonded Turntrans-79-4.5175.8-72.6174.5154.200113.9N87 P93 V97 K144 C145 S146 L150N87-M148 WeakPolarHBondContact OD1-CA 3.44Å; N87-M148 WeakPolarHBondContact OD1-CG 3.36Å; N87-M148 PolarHBondContact OD1-N 3.18Å; P93-M148 HydrophobicContact CB-CE 3.58Å; P93-M148 HydrophobicContact CB-SD 4.41Å; P93-M148 HydrophobicContact CG-CE 4.46Å; V97-M148 HydrophobicContact CG2-SD 4.07Å; K144-M148 VanDerWaalsContact CE-CE 3.48Å; K144-M148 HydrophobicContact CG-CE 4.47Å; K144-M148 HydrophobicContact CG-SD 4.11Å; K144-M148 WeakPolarHBondContact O-CB 3.46Å; K144-M148 WeakPolarHBondContact O-CG 3.41Å; K144-M148 PolarHBondContact O-N 3.22Å; C145-M148 PolarHBondContact O-N 3.39Å; S146-M148 VanDerWaalsContact C-N 3.29Å; S146-M148 PolarHBondContact O-N 3.45Å; M148-L150 VanDerWaalsContact C-N 3.3Å; M148-L150 HydrophobicContact CB-CD1 3.97Å; M148-L150 HydrophobicContact CB-CG 3.87Å; M148-L150 PolarHBondContact O-N 2.86Å; M148-L150 HydrophobicContact SD-CD1 4.27Å
149G74.1Confident80.5Confident40 Ų4073.5 Ų73.541%0.41239%0.392SS..THydrogen-bonded Turntrans69.823.7-178.600000114.2C145 S146 A147C145-G149 PolarHBondContact O-N 2.98Å; S146-G149 PolarHBondContact O-N 3.04Å; A147-G149 VanDerWaalsContact C-N 3.28Å; A147-G149 PolarHBondContact O-N 2.91Å
150L73.9Confident80.1Confident64 Ų6472.8 Ų72.834%0.33540%0.402SS..  trans-88-12.2-177.8-60.8174.2000113.2I94 C145 M148I94-L150 HydrophobicContact CB-CD1 4.38Å; I94-L150 HydrophobicContact CD1-CD2 3.81Å; I94-L150 HydrophobicContact CG1-CD1 3.83Å; I94-L150 HydrophobicContact CG1-CD2 3.76Å; I94-L150 HydrophobicContact CG1-CG 4.45Å; I94-L150 HydrophobicContact CG2-CD1 4.29Å; C145-L150 PolarHBondContact O-N 3.25Å; M148-L150 VanDerWaalsContact C-N 3.3Å; M148-L150 HydrophobicContact CB-CD1 3.97Å; M148-L150 HydrophobicContact CB-CG 3.87Å; M148-L150 PolarHBondContact O-N 2.86Å; M148-L150 HydrophobicContact SD-CD1 4.27Å
151L77.2Confident80Confident48 Ų4878.6 Ų78.625%0.25143%0.426SS..SBendtrans-93.2133.2179.9-66.3175.1000109.6C145 T153C145-L151 HydrophobicContact CB-CD1 4.01Å; C145-L151 HydrophobicContact CB-CD2 4.13Å; C145-L151 HydrophobicContact CB-CG 3.79Å; L151-T153 HydrophobicContact CB-CG2 3.76Å; L151-T153 PolarHBondContact O-N 3Å; L151-T153 PolarHBondContact O-OG1 2.71Å
152P72.2Confident79.9Confident82 Ų8281.5 Ų81.553%0.53245%0.45SS..THydrogen-bonded Turntrans-69.969.9177.531.6-36.5000110.6D157 W158P152-D157 VanDerWaalsContact CA-OD2 3.22Å; P152-D157 WeakPolarHBondContact CA-OD2 3.22Å; P152-D157 HydrophobicContact CB-CB 4.31Å; P152-W158 HydrophobicContact CB-CZ2 4.19Å
153T79.6Confident79.8Confident88 Ų8887.4 Ų87.454%0.5448%0.475SS..THydrogen-bonded Turntrans-123.5-21.8-17050.20000111.6L151 D157L151-T153 HydrophobicContact CB-CG2 3.76Å; L151-T153 PolarHBondContact O-N 3Å; L151-T153 PolarHBondContact O-OG1 2.71Å; T153-D157 PolarHBondContact N-OD2 3.32Å
154H74.7Confident79.7Confident107 Ų10786.1 Ų86.150%0.49548%0.479SS..SBendtrans-90.1147.8175.8-76.3-84.3000110.5S156 D157 W158H154-S156 VanDerWaalsContact CB-OG 3.25Å; H154-S156 WeakPolarHBondContact CB-OG 3.33Å; H154-S156 PolarHBondContact O-N 3.33Å; H154-S156 VanDerWaalsContact O-N 3.12Å; H154-D157 PolarHBondContact N-OD2 3.12Å; H154-D157 WeakPolarHBondContact O-CB 3.25Å; H154-D157 PolarHBondContact O-N 2.93Å; H154-W158 VanDerWaalsContact O-CD1 3.29Å
155Q73.9Confident80Confident176 Ų17690.9 Ų90.982%0.82251%0.512SS*.Hα-helixtrans-56.9-27174.4-69.6-179.9-28.200112.4D157 W158 L159Q155-D157 PolarHBondContact O-N 2.92Å; Q155-W158 PolarHBondContact O-N 3.18Å; Q155-W158 VanDerWaalsContact O-N 3.14Å; Q155-L159 PolarHBondContact O-N 3.32Å
156S79.6Confident80.4Confident78 Ų7898.6 Ų98.655%0.54555%0.547SS..Hα-helixtrans-57.7-33.7172.551.70000113.1H154 W158 L159H154-S156 VanDerWaalsContact CB-OG 3.25Å; H154-S156 WeakPolarHBondContact CB-OG 3.33Å; H154-S156 PolarHBondContact O-N 3.33Å; H154-S156 VanDerWaalsContact O-N 3.12Å; S156-W158 PolarHBondContact O-N 3.35Å; S156-L159 WeakPolarHBondContact O-CB 3.4Å; S156-L159 PolarHBondContact O-N 2.95Å
157D83.9Confident80.6Confident61 Ų61104.6 Ų104.633%0.32656%0.562SS.*Hα-helixtrans-70.6-24-178.9-52.1-34000111.4P152 T153 H154 Q155P152-D157 VanDerWaalsContact CA-OD2 3.22Å; P152-D157 WeakPolarHBondContact CA-OD2 3.22Å; P152-D157 HydrophobicContact CB-CB 4.31Å; T153-D157 PolarHBondContact N-OD2 3.32Å; H154-D157 PolarHBondContact N-OD2 3.12Å; H154-D157 WeakPolarHBondContact O-CB 3.25Å; H154-D157 PolarHBondContact O-N 2.93Å; Q155-D157 PolarHBondContact O-N 2.92Å
158W86.1Confident81.2Confident141 Ų141110.3 Ų110.353%0.53458%0.583SS.*Hα-helixtrans-100-3.8-179.4-54.997.6000113.1P152 H154 Q155 S156 A160 F161 A162P152-W158 HydrophobicContact CB-CZ2 4.19Å; H154-W158 VanDerWaalsContact O-CD1 3.29Å; Q155-W158 PolarHBondContact O-N 3.18Å; Q155-W158 VanDerWaalsContact O-N 3.14Å; S156-W158 PolarHBondContact O-N 3.35Å; W158-A160 PolarHBondContact O-N 2.93Å; W158-F161 HydrophobicContact CE3-CD2 4.12Å; W158-F161 PolarHBondContact O-N 3.14Å; W158-A162 PolarHBondContact O-N 3.29Å
159L79.3Confident82Confident129 Ų129117.6 Ų117.668%0.67562%0.616SS**G310 helixtrans-62.2-27.8-176.1-154.5112000112.2Q155 S156 F161 A162Q155-L159 PolarHBondContact O-N 3.32Å; S156-L159 WeakPolarHBondContact O-CB 3.4Å; S156-L159 PolarHBondContact O-N 2.95Å; L159-F161 PolarHBondContact O-N 3.18Å; L159-A162 PolarHBondContact O-N 3.26Å
160A82.2Confident82.6Confident92 Ų92124.3 Ų124.376%0.7663%0.631SS**G310 helixtrans-66.5-20.2174.700000113.6W158W158-A160 PolarHBondContact O-N 2.93Å
161F85.5Confident83.2Confident163 Ų163127.6 Ų127.672%0.71565%0.653SS**G310 helixtrans-106.8-1.5177.7-55.8-63.8000112.8W158 L159 E163W158-F161 HydrophobicContact CE3-CD2 4.12Å; W158-F161 PolarHBondContact O-N 3.14Å; L159-F161 PolarHBondContact O-N 3.18Å; F161-E163 PolarHBondContact O-N 3.38Å
162A83Confident83.6Confident61 Ų61132.3 Ų132.350%0.50468%0.683SS.*SBendtrans-70.5129.517600000109.6W158 L159 I164W158-A162 PolarHBondContact O-N 3.29Å; L159-A162 PolarHBondContact O-N 3.26Å; A162-I164 PolarHBondContact O-N 3.47Å
163E84.8Confident84.2Confident189 Ų189132 Ų13288%0.88370%0.695SS**PPolyproline II helixtrans-63.3130.3173.6-66.7-177.4175.500109.6F161F161-E163 PolarHBondContact O-N 3.38Å
164I85.3Confident84.5Confident149 Ų149131 Ų13176%0.76470%0.703SS**PPolyproline II helixtrans-70.2127.3176.4-53.5159.7000106.8A162 Q166A162-I164 PolarHBondContact O-N 3.47Å; I164-Q166 PolarHBondContact O-N 3.14Å; I164-Q166 VanDerWaalsContact O-N 3.14Å
165P86.8Confident84.6Confident122 Ų122133 Ų13379%0.79271%0.714SS**PPolyproline II helixtrans-58.4122.7179.723.2-33000110
166Q89.1Confident84.5Confident174 Ų174130 Ų13081%0.81371%0.713SS**PPolyproline II helixtrans-73.5132.5178.1-68.3-172.6-26.700110I164 M168I164-Q166 PolarHBondContact O-N 3.14Å; I164-Q166 VanDerWaalsContact O-N 3.14Å; Q166-M168 PolarHBondContact O-N 3.21Å
167R87.7Confident84Confident179 Ų179135.1 Ų135.168%0.67572%0.721SS**  trans-69.8114.7176-177.5-178.1-68.6-157.6-0.2109.2E169R167-E169 VanDerWaalsContact CD-O 3.24Å; R167-E169 WeakPolarHBondContact CD-O 3.24Å; R167-E169 WeakPolarHBondContact CG-O 3.27Å
168M90Very high83Confident167 Ų167142 Ų14282%0.82377%0.766SS**  trans-83.5-24.2178-68.8-68.2-72.600113.2Q166Q166-M168 PolarHBondContact O-N 3.21Å
169E92.4Very high82.8Confident159 Ų159142.1 Ų142.174%0.74378%0.778SS**  trans-125.1131.3-172.6-65179.4-178.200111.2R167R167-E169 VanDerWaalsContact CD-O 3.24Å; R167-E169 WeakPolarHBondContact CD-O 3.24Å; R167-E169 WeakPolarHBondContact CG-O 3.27Å
170Y87.5Confident83Confident181 Ų181142.8 Ų142.871%0.7178%0.783SS**  trans-113.9119175.4-60.7-91.2000108
171V86.8Confident83Confident134 Ų134145.6 Ų145.681%0.81278%0.784SS**  trans-115.9119.5167.5-1800000106.9
172V84.9Confident82.9Confident146 Ų146144.6 Ų144.689%0.88579%0.788SS**  trans-116.1111.6174.21790000106.4
173G85.7Confident82.9Confident75 Ų75149.8 Ų149.877%0.77381%0.806SS**  trans-137.3125.8174.700000108.8
174G84.8Confident82.8Confident69 Ų69147.2 Ų147.271%0.71180%0.801SS**  trans-123.2161.117700000110.2S176G174-S176 PolarHBondContact O-N 3.22Å
175M76.7Confident82.6Confident148 Ų148147.1 Ų147.173%0.72980%0.804SS**  trans-63.7115.6-175.6-76.4-175.5-81.300112Y177M175-Y177 HydrophobicContact CB-CD2 3.95Å; M175-Y177 HydrophobicContact CB-CE2 3.59Å; M175-Y177 HydrophobicContact CE-CE2 4.15Å; M175-Y177 VanDerWaalsContact CE-OH 3.27Å; M175-Y177 WeakPolarHBondContact CE-OH 3.14Å; M175-Y177 HydrophobicContact CG-CE2 4.39Å; M175-Y177 PolarHBondContact O-N 3.19Å; M175-Y177 HydrophobicContact SD-CE1 4.36Å; M175-Y177 HydrophobicContact SD-CE2 3.99Å; M175-Y177 PolarHBondContact SD-OH 3.44Å
176S72Confident82.2Confident113 Ų113149 Ų14979%0.7980%0.804SS**  trans-80102.6160.5-61.70000108.3G174 T178G174-S176 PolarHBondContact O-N 3.22Å; S176-T178 PolarHBondContact O-N 3.38Å
177Y69.4Low81.7Confident186 Ų186146.9 Ų146.973%0.72980%0.804SS**  trans-87.987.1166.2-66.7-85.8000108.6M175M175-Y177 HydrophobicContact CB-CD2 3.95Å; M175-Y177 HydrophobicContact CB-CE2 3.59Å; M175-Y177 HydrophobicContact CE-CE2 4.15Å; M175-Y177 VanDerWaalsContact CE-OH 3.27Å; M175-Y177 WeakPolarHBondContact CE-OH 3.14Å; M175-Y177 HydrophobicContact CG-CE2 4.39Å; M175-Y177 PolarHBondContact O-N 3.19Å; M175-Y177 HydrophobicContact SD-CE1 4.36Å; M175-Y177 HydrophobicContact SD-CE2 3.99Å; M175-Y177 PolarHBondContact SD-OH 3.44Å
178T62.1Low81.1Confident206 Ų206144 Ų144100%1.26482%0.815SS**  trans-165.90163.140.40000110S176S176-T178 PolarHBondContact O-N 3.38Å

Retrieved 178 of 178 residues in 164.8 ms (Link to these results)