A0A077ZA61_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZA61, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 91 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
1M63Low73.8Confident238 Ų238130.6 Ų130.6100%1.17266%0.662SS**  032.10-66.7-176.7178.400111.9
2E68.8Low73.8Confident162 Ų162124.8 Ų124.876%0.75765%0.649SS**  trans-93.2-18.9-174.4-80.2174.7111.100115.2G4 Q5E2-G4 PolarHBondContact O-N 3.37Å; E2-Q5 PolarHBondContact O-N 3.34Å
3G68.3Low73.9Confident59 Ų59127.2 Ų127.261%0.60865%0.651SS**Hα-helixtrans-65.4-22.4-175.700000115
4G77.6Confident73.7Confident49 Ų49128.9 Ų128.951%0.50565%0.645SS.*Hα-helixtrans-76.1-29.2-179.200000114.4E2 R8E2-G4 PolarHBondContact O-N 3.37Å; G4-R8 WeakPolarHBondContact O-CG 3.48Å; G4-R8 PolarHBondContact O-N 3.18Å
5Q74.3Confident73.1Confident143 Ų143128.7 Ų128.767%0.66864%0.639SS**Hα-helixtrans-76.4-45.1-179.2-72.7-170.7-19.300111.3E2 L7 R8 E9E2-Q5 PolarHBondContact O-N 3.34Å; Q5-L7 VanDerWaalsContact C-N 3.25Å; Q5-L7 PolarHBondContact O-N 3.01Å; Q5-R8 PolarHBondContact O-N 3.25Å; Q5-E9 PolarHBondContact O-N 3.48Å
6N77.7Confident72.3Confident95 Ų95124.5 Ų124.551%0.50864%0.638SS.*Hα-helixtrans-56.2-38.9174.4-96.3-60.4000112.6R8 E9 Q10N6-R8 VanDerWaalsContact C-N 3.35Å; N6-E9 PolarHBondContact O-N 2.86Å; N6-Q10 WeakPolarHBondContact O-CB 3.29Å; N6-Q10 VanDerWaalsContact O-CG 3.29Å; N6-Q10 WeakPolarHBondContact O-CG 3.34Å; N6-Q10 PolarHBondContact O-N 2.95Å
7L76.2Confident71.9Confident98 Ų98123.9 Ų123.951%0.51364%0.635SS.*Hα-helixtrans-69.9-32.2177.8-128.178.4000112.7Q5 K11Q5-L7 VanDerWaalsContact C-N 3.25Å; Q5-L7 PolarHBondContact O-N 3.01Å; L7-K11 VanDerWaalsContact O-CB 3.32Å; L7-K11 WeakPolarHBondContact O-CB 3.25Å; L7-K11 VanDerWaalsContact O-CG 3.25Å; L7-K11 WeakPolarHBondContact O-CG 3.32Å; L7-K11 PolarHBondContact O-N 2.99Å
8R78.3Confident71Confident201 Ų201123.2 Ų123.276%0.75863%0.63SS**Hα-helixtrans-72.2-40.8175.5-76.5-176.8171.8-148-1.2111.1G4 Q5 N6 K11 A12G4-R8 WeakPolarHBondContact O-CG 3.48Å; G4-R8 PolarHBondContact O-N 3.18Å; Q5-R8 PolarHBondContact O-N 3.25Å; N6-R8 VanDerWaalsContact C-N 3.35Å; R8-K11 PolarHBondContact O-N 3.37Å; R8-A12 VanDerWaalsContact O-CB 3.27Å; R8-A12 WeakPolarHBondContact O-CB 3.37Å; R8-A12 PolarHBondContact O-N 3.41Å
9E76.3Confident70.5Confident134 Ų134123.4 Ų123.463%0.62663%0.628SS**Hα-helixtrans-66.9-42.7174.2-70.6-173.4164.100111.7Q5 N6 K11 A12 F13Q5-E9 PolarHBondContact O-N 3.48Å; N6-E9 PolarHBondContact O-N 2.86Å; E9-K11 VanDerWaalsContact C-N 3.32Å; E9-K11 PolarHBondContact O-N 2.92Å; E9-A12 PolarHBondContact O-N 2.84Å; E9-F13 VanDerWaalsContact O-CB 3.22Å; E9-F13 WeakPolarHBondContact O-CB 3.47Å; E9-F13 PolarHBondContact O-N 2.76Å
10Q75Confident69.9Low121 Ų121121.8 Ų121.857%0.56562%0.622SS**Hα-helixtrans-62-39.5173.7-77.3-176.754.400112.1N6 R14N6-Q10 WeakPolarHBondContact O-CB 3.29Å; N6-Q10 VanDerWaalsContact O-CG 3.29Å; N6-Q10 WeakPolarHBondContact O-CG 3.34Å; N6-Q10 PolarHBondContact O-N 2.95Å; Q10-R14 WeakPolarHBondContact O-CB 3.37Å; Q10-R14 PolarHBondContact O-N 3.41Å
11K76.3Confident69.4Low137 Ų137121.2 Ų121.260%0.59663%0.626SS**Hα-helixtrans-69.5-39.7175.3-78.1179.7-179.5-173.30112.2L7 R8 E9 R14 K15L7-K11 VanDerWaalsContact O-CB 3.32Å; L7-K11 WeakPolarHBondContact O-CB 3.25Å; L7-K11 VanDerWaalsContact O-CG 3.25Å; L7-K11 WeakPolarHBondContact O-CG 3.32Å; L7-K11 PolarHBondContact O-N 2.99Å; R8-K11 PolarHBondContact O-N 3.37Å; E9-K11 VanDerWaalsContact C-N 3.32Å; E9-K11 PolarHBondContact O-N 2.92Å; K11-R14 PolarHBondContact O-N 2.81Å; K11-K15 WeakPolarHBondContact O-CB 3.27Å; K11-K15 PolarHBondContact O-N 3.26Å
12A73.8Confident69.3Low61 Ų61112.7 Ų112.750%0.50459%0.593SS.*Hα-helixtrans-68.7-41.7177.500000111.7R8 E9 K15 G16R8-A12 VanDerWaalsContact O-CB 3.27Å; R8-A12 WeakPolarHBondContact O-CB 3.37Å; R8-A12 PolarHBondContact O-N 3.41Å; E9-A12 PolarHBondContact O-N 2.84Å; A12-K15 WeakPolarHBondContact O-CB 3.22Å; A12-K15 PolarHBondContact O-N 3.28Å; A12-K15 VanDerWaalsContact O-N 3.16Å; A12-G16 PolarHBondContact O-N 2.67Å
13F74.6Confident69Low156 Ų156107.3 Ų107.368%0.68457%0.574SS**Hα-helixtrans-58.4-50170.8-176.3-103.6000109.8E9 K15 G16 I17E9-F13 VanDerWaalsContact O-CB 3.22Å; E9-F13 WeakPolarHBondContact O-CB 3.47Å; E9-F13 PolarHBondContact O-N 2.76Å; F13-K15 VanDerWaalsContact C-N 3.25Å; F13-K15 PolarHBondContact O-N 3.16Å; F13-G16 PolarHBondContact O-N 3.14Å; F13-G16 VanDerWaalsContact O-N 3.14Å; F13-I17 HydrophobicContact CD1-CD1 4.23Å; F13-I17 HydrophobicContact CE1-CD1 4.09Å; F13-I17 WeakPolarHBondContact O-CG1 3.19Å; F13-I17 PolarHBondContact O-N 2.85Å; F13-I17 VanDerWaalsContact O-N 3.13Å
14R71.2Confident68.9Low150 Ų150108.3 Ų108.357%0.56657%0.565SS**Hα-helixtrans-59.7-34.4174.8-113.1-140.2-69-172.5-3.7113.7Q10 K11 I17 M18Q10-R14 WeakPolarHBondContact O-CB 3.37Å; Q10-R14 PolarHBondContact O-N 3.41Å; K11-R14 PolarHBondContact O-N 2.81Å; R14-I17 HydrophobicContact CG-CD1 4.16Å; R14-M18 WeakPolarHBondContact O-CB 3Å; R14-M18 WeakPolarHBondContact O-CG 3.38Å; R14-M18 PolarHBondContact O-N 2.86Å
15K65.7Low68.4Low127 Ų127108.9 Ų108.955%0.55256%0.561SS**Hα-helixtrans-68.8-43.7176.7-151.3169.9-172.1-88.40110.3K11 A12 F13 I17 M18 E19K11-K15 WeakPolarHBondContact O-CB 3.27Å; K11-K15 PolarHBondContact O-N 3.26Å; A12-K15 WeakPolarHBondContact O-CB 3.22Å; A12-K15 PolarHBondContact O-N 3.28Å; A12-K15 VanDerWaalsContact O-N 3.16Å; F13-K15 VanDerWaalsContact C-N 3.25Å; F13-K15 PolarHBondContact O-N 3.16Å; K15-I17 VanDerWaalsContact C-N 3.33Å; K15-I17 PolarHBondContact O-N 3.38Å; K15-M18 CarbonylContact O-C 3.43Å; K15-M18 WeakPolarHBondContact O-CA 3.21Å; K15-M18 PolarHBondContact O-N 3.37Å; K15-E19 HydrophobicContact CG-CG 4.25Å; K15-E19 IonicContact NZ-OE1 2.67Å; K15-E19 PolarHBondContact NZ-OE1 3.49Å; K15-E19 WeakPolarHBondContact O-CG 3.39Å; K15-E19 PolarHBondContact O-N 3.13Å; K15-E19 VanDerWaalsContact O-N 3.11Å
16G59.9Low68.2Low61 Ų61106.4 Ų106.463%0.62955%0.553SS**Hα-helixtrans-62.2-33.8177.800000114.5A12 F13 M18A12-G16 PolarHBondContact O-N 2.67Å; F13-G16 PolarHBondContact O-N 3.14Å; F13-G16 VanDerWaalsContact O-N 3.14Å; G16-M18 VanDerWaalsContact C-N 3.26Å; G16-M18 PolarHBondContact O-N 3.11Å
17I65.1Low68.1Low114 Ų114106.5 Ų106.559%0.58555%0.552SS**THydrogen-bonded Turntrans-77.8-6.1169.824.5162.2000113.6F13 R14 K15F13-I17 HydrophobicContact CD1-CD1 4.23Å; F13-I17 HydrophobicContact CE1-CD1 4.09Å; F13-I17 WeakPolarHBondContact O-CG1 3.19Å; F13-I17 PolarHBondContact O-N 2.85Å; F13-I17 VanDerWaalsContact O-N 3.13Å; R14-I17 HydrophobicContact CG-CD1 4.16Å; K15-I17 VanDerWaalsContact C-N 3.33Å; K15-I17 PolarHBondContact O-N 3.38Å
18M56.8Low68.2Low111 Ų111106.9 Ų106.955%0.54755%0.554SS.*THydrogen-bonded Turntrans-114.52.5-178.2-74.1-175.8175.300114.3R14 K15 G16 D20R14-M18 WeakPolarHBondContact O-CB 3Å; R14-M18 WeakPolarHBondContact O-CG 3.38Å; R14-M18 PolarHBondContact O-N 2.86Å; K15-M18 CarbonylContact O-C 3.43Å; K15-M18 WeakPolarHBondContact O-CA 3.21Å; K15-M18 PolarHBondContact O-N 3.37Å; G16-M18 VanDerWaalsContact C-N 3.26Å; G16-M18 PolarHBondContact O-N 3.11Å; M18-D20 PolarHBondContact O-N 3.39Å
19E59.9Low68.1Low127 Ų127103.5 Ų103.559%0.59355%0.548SS*.  trans-98.357-178.2-60.3-143.5161.200112.6K15K15-E19 HydrophobicContact CG-CG 4.25Å; K15-E19 IonicContact NZ-OE1 2.67Å; K15-E19 PolarHBondContact NZ-OE1 3.49Å; K15-E19 WeakPolarHBondContact O-CG 3.39Å; K15-E19 PolarHBondContact O-N 3.13Å; K15-E19 VanDerWaalsContact O-N 3.11Å
20D59.7Low68.1Low92 Ų92104.5 Ų104.549%0.49255%0.548SS..  trans-153.699.3139.5-153.1-15.2000111.3M18 A22 S23 D24M18-D20 PolarHBondContact O-N 3.39Å; D20-A22 PolarHBondContact O-N 3.17Å; D20-A22 VanDerWaalsContact O-N 3.14Å; D20-S23 WeakPolarHBondContact O-CB 3.39Å; D20-S23 PolarHBondContact O-N 2.99Å; D20-D24 PolarHBondContact O-N 3.14Å; D20-D24 VanDerWaalsContact O-N 3.17Å
21P58.4Low68.4Low109 Ų109101.2 Ų101.271%0.70854%0.538SS*.Hα-helixtrans-62.9-20.7-17825.5-33.8000113.3
22A62.4Low68.6Low59 Ų5998 Ų9849%0.48853%0.527SS..Hα-helixtrans-76.7-30.3173.800000112.5D20 S25D20-A22 PolarHBondContact O-N 3.17Å; D20-A22 VanDerWaalsContact O-N 3.14Å; A22-S25 PolarHBondContact O-OG 3.38Å
23S62.4Low69Low50 Ų5097.1 Ų97.135%0.3551%0.514SS..Hα-helixtrans-71.9-41.8174.6-1760000111D20 S25 N26 I27D20-S23 WeakPolarHBondContact O-CB 3.39Å; D20-S23 PolarHBondContact O-N 2.99Å; S23-S25 VanDerWaalsContact C-N 3.28Å; S23-S25 PolarHBondContact O-N 2.89Å; S23-N26 PolarHBondContact O-N 3.49Å; S23-I27 WeakPolarHBondContact O-CG1 3.3Å; S23-I27 PolarHBondContact O-N 2.85Å; S23-I27 WeakPolarHBondContact OG-CD1 3.33Å
24D65.5Low69.3Low80 Ų8093.1 Ų93.143%0.42851%0.505SS..Hα-helixtrans-56.8-40.1179.6-76-12000112.4D20 I27 L28D20-D24 PolarHBondContact O-N 3.14Å; D20-D24 VanDerWaalsContact O-N 3.17Å; D24-I27 PolarHBondContact O-N 3.05Å; D24-L28 VanDerWaalsContact O-CB 3.3Å; D24-L28 WeakPolarHBondContact O-CB 3.46Å; D24-L28 PolarHBondContact O-N 3.26Å
25S67.8Low70Confident61 Ų6189.9 Ų89.943%0.42750%0.502SS..Hα-helixtrans-64.3-41.617644.60000112.8A22 S23 L28 M29A22-S25 PolarHBondContact O-OG 3.38Å; S23-S25 VanDerWaalsContact C-N 3.28Å; S23-S25 PolarHBondContact O-N 2.89Å; S25-L28 PolarHBondContact O-N 3.43Å; S25-M29 VanDerWaalsContact O-CG 3.27Å; S25-M29 WeakPolarHBondContact O-CG 3.32Å; S25-M29 PolarHBondContact O-N 3.41Å
26N69.8Low70.8Confident91 Ų9191.8 Ų91.849%0.48751%0.505SS..Hα-helixtrans-70.7-41.7178.2-70.6-24.8000110.9S23 L28 M29 Y30S23-N26 PolarHBondContact O-N 3.49Å; N26-L28 VanDerWaalsContact C-N 3.26Å; N26-L28 PolarHBondContact O-N 3.49Å; N26-M29 PolarHBondContact O-N 3.39Å; N26-Y30 HydrophobicContact CB-CD2 4.29Å; N26-Y30 HydrophobicContact CB-CE2 4.09Å; N26-Y30 WeakPolarHBondContact O-CB 3.45Å; N26-Y30 WeakPolarHBondContact O-CD2 3.27Å; N26-Y30 PolarHBondContact O-N 2.67Å
27I74.9Confident71.9Confident96 Ų9691 Ų9149%0.49249%0.487SS..Hα-helixtrans-58.1-42.9174.1-67.6168.1000110.1S23 D24 Y30 S31S23-I27 WeakPolarHBondContact O-CG1 3.3Å; S23-I27 PolarHBondContact O-N 2.85Å; S23-I27 WeakPolarHBondContact OG-CD1 3.33Å; D24-I27 PolarHBondContact O-N 3.05Å; I27-Y30 PolarHBondContact O-N 2.97Å; I27-S31 WeakPolarHBondContact O-CB 3.49Å; I27-S31 PolarHBondContact O-N 2.86Å; I27-S31 PolarHBondContact O-OG 2.86Å
28L77.6Confident72.8Confident106 Ų10688 Ų8856%0.55548%0.479SS*.Hα-helixtrans-61.5-49.3176-173.263.2000110.8D24 S25 N26 Y30 S31 D32D24-L28 VanDerWaalsContact O-CB 3.3Å; D24-L28 WeakPolarHBondContact O-CB 3.46Å; D24-L28 PolarHBondContact O-N 3.26Å; S25-L28 PolarHBondContact O-N 3.43Å; N26-L28 VanDerWaalsContact C-N 3.26Å; N26-L28 PolarHBondContact O-N 3.49Å; L28-Y30 PolarHBondContact O-N 3.03Å; L28-S31 PolarHBondContact O-N 3.48Å; L28-S31 VanDerWaalsContact O-N 3.11Å; L28-S31 PolarHBondContact O-OG 2.79Å; L28-D32 PolarHBondContact O-N 3.06Å
29M76.6Confident74.1Confident130 Ų13088.3 Ų88.364%0.6448%0.477SS*.Hα-helixtrans-58.9-44.6176.4-70.2-62.4-65.700112.8S25 N26 S31 D32 L33S25-M29 VanDerWaalsContact O-CG 3.27Å; S25-M29 WeakPolarHBondContact O-CG 3.32Å; S25-M29 PolarHBondContact O-N 3.41Å; N26-M29 PolarHBondContact O-N 3.39Å; M29-S31 VanDerWaalsContact C-N 3.31Å; M29-S31 PolarHBondContact O-N 3.46Å; M29-D32 PolarHBondContact O-N 3.2Å; M29-L33 WeakPolarHBondContact O-CB 3.49Å; M29-L33 PolarHBondContact O-N 2.99Å
30Y77.6Confident75.2Confident156 Ų15684.6 Ų84.661%0.61246%0.461SS*.Hα-helixtrans-64-37.1175.7-74.9-58.3000111.7N26 I27 L28 S34N26-Y30 HydrophobicContact CB-CD2 4.29Å; N26-Y30 HydrophobicContact CB-CE2 4.09Å; N26-Y30 WeakPolarHBondContact O-CB 3.45Å; N26-Y30 WeakPolarHBondContact O-CD2 3.27Å; N26-Y30 PolarHBondContact O-N 2.67Å; I27-Y30 PolarHBondContact O-N 2.97Å; L28-Y30 PolarHBondContact O-N 3.03Å; Y30-S34 VanDerWaalsContact O-CB 3.23Å; Y30-S34 WeakPolarHBondContact O-CB 3.23Å; Y30-S34 PolarHBondContact O-N 3.07Å; Y30-S34 PolarHBondContact O-OG 3.27Å
31S79.9Confident76.2Confident51 Ų5189.2 Ų89.236%0.35747%0.472SS..Hα-helixtrans-66.2-43.3177.577.60000111.9I27 L28 M29 S34 V35I27-S31 WeakPolarHBondContact O-CB 3.49Å; I27-S31 PolarHBondContact O-N 2.86Å; I27-S31 PolarHBondContact O-OG 2.86Å; L28-S31 PolarHBondContact O-N 3.48Å; L28-S31 VanDerWaalsContact O-N 3.11Å; L28-S31 PolarHBondContact O-OG 2.79Å; M29-S31 VanDerWaalsContact C-N 3.31Å; M29-S31 PolarHBondContact O-N 3.46Å; S31-S34 PolarHBondContact O-N 3.11Å; S31-V35 WeakPolarHBondContact O-CB 2.99Å; S31-V35 VanDerWaalsContact O-CG2 3.23Å; S31-V35 WeakPolarHBondContact O-CG2 3.47Å; S31-V35 PolarHBondContact O-N 3.42Å
32D81.1Confident77.5Confident69 Ų6991 Ų9137%0.36947%0.468SS..Hα-helixtrans-65.6-45.3178.6-78.4-58.4000112.1L28 M29 V35 R36L28-D32 PolarHBondContact O-N 3.06Å; M29-D32 PolarHBondContact O-N 3.2Å; D32-V35 PolarHBondContact O-N 3.49Å; D32-R36 WeakPolarHBondContact O-CG 3.23Å; D32-R36 PolarHBondContact O-N 3.01Å
33L81.7Confident78.4Confident44 Ų4495 Ų9523%0.2347%0.472CS..Hα-helixtrans-62.6-45.8178-177.558.1000111.1M29 V35 R36 L37 L85M29-L33 WeakPolarHBondContact O-CB 3.49Å; M29-L33 PolarHBondContact O-N 2.99Å; L33-V35 PolarHBondContact O-N 3.45Å; L33-R36 PolarHBondContact O-N 2.65Å; L33-L37 HydrophobicContact CD1-CD1 3.92Å; L33-L37 HydrophobicContact CD1-CG 4.45Å; L33-L37 HydrophobicContact CG-CD1 3.8Å; L33-L37 WeakPolarHBondContact O-CD1 3.35Å; L33-L37 WeakPolarHBondContact O-CG 3.33Å; L33-L37 PolarHBondContact O-N 3.32Å; L33-L85 HydrophobicContact CD2-CD2 3.69Å; L33-L85 HydrophobicContact CG-CD2 4.38Å
34S80.7Confident79.5Confident72 Ų7294.9 Ų94.950%0.50347%0.465SS..Hα-helixtrans-61.5-42.8179.4-600000112.3Y30 S31 A38Y30-S34 VanDerWaalsContact O-CB 3.23Å; Y30-S34 WeakPolarHBondContact O-CB 3.23Å; Y30-S34 PolarHBondContact O-N 3.07Å; Y30-S34 PolarHBondContact O-OG 3.27Å; S31-S34 PolarHBondContact O-N 3.11Å; S34-A38 WeakPolarHBondContact O-CB 3.4Å; S34-A38 PolarHBondContact O-N 3.08Å
35V86Confident80.2Confident82 Ų8292.8 Ų92.850%0.49746%0.459SS..Hα-helixtrans-65.6-45.3178.4171.50000110.4S31 D32 L33 L37 A38 F39S31-V35 WeakPolarHBondContact O-CB 2.99Å; S31-V35 VanDerWaalsContact O-CG2 3.23Å; S31-V35 WeakPolarHBondContact O-CG2 3.47Å; S31-V35 PolarHBondContact O-N 3.42Å; D32-V35 PolarHBondContact O-N 3.49Å; L33-V35 PolarHBondContact O-N 3.45Å; V35-L37 PolarHBondContact O-N 3.46Å; V35-A38 PolarHBondContact O-N 3.02Å; V35-F39 HydrophobicContact CG1-CD2 3.88Å; V35-F39 HydrophobicContact CG1-CE2 3.86Å; V35-F39 WeakPolarHBondContact O-CD2 3.47Å; V35-F39 PolarHBondContact O-N 3.02Å; V35-F39 VanDerWaalsContact O-N 3.08Å
36R83.3Confident80.9Confident166 Ų16694.5 Ų94.563%0.62646%0.463SS*.Hα-helixtrans-60.2-47178.4-71.8176.4-163.2-1797.3112.1D32 L33 A38 F39 I40D32-R36 WeakPolarHBondContact O-CG 3.23Å; D32-R36 PolarHBondContact O-N 3.01Å; L33-R36 PolarHBondContact O-N 2.65Å; R36-A38 VanDerWaalsContact C-N 3.34Å; R36-A38 PolarHBondContact O-N 3.09Å; R36-F39 PolarHBondContact O-N 3.41Å; R36-I40 WeakPolarHBondContact O-CG1 3.1Å; R36-I40 PolarHBondContact O-N 3.36Å; R36-I40 VanDerWaalsContact O-N 3.08Å
37L82.7Confident81.4Confident46 Ų4693.1 Ų93.124%0.24146%0.455CS..Hα-helixtrans-60.1-43.1176.7-78.5155.1000112L33 V35 F39 I40 R41 Y81 L85L33-L37 HydrophobicContact CD1-CD1 3.92Å; L33-L37 HydrophobicContact CD1-CG 4.45Å; L33-L37 HydrophobicContact CG-CD1 3.8Å; L33-L37 WeakPolarHBondContact O-CD1 3.35Å; L33-L37 WeakPolarHBondContact O-CG 3.33Å; L33-L37 PolarHBondContact O-N 3.32Å; V35-L37 PolarHBondContact O-N 3.46Å; L37-F39 VanDerWaalsContact C-N 3.31Å; L37-F39 PolarHBondContact O-N 3.27Å; L37-I40 PolarHBondContact O-N 3.4Å; L37-R41 WeakPolarHBondContact O-CB 3.32Å; L37-R41 PolarHBondContact O-N 3.14Å; L37-Y81 HydrophobicContact CD2-CD1 4.42Å; L37-Y81 HydrophobicContact CD2-CG 4.23Å; L37-L85 HydrophobicContact CD1-CD1 4Å; L37-L85 HydrophobicContact CD1-CD2 4.2Å; L37-L85 HydrophobicContact CD2-CD1 4.28Å
38A84.5Confident81.8Confident50 Ų5091.3 Ų91.341%0.41345%0.446SS..Hα-helixtrans-63.1-37.217900000112.4S34 V35 R36 K42S34-A38 WeakPolarHBondContact O-CB 3.4Å; S34-A38 PolarHBondContact O-N 3.08Å; V35-A38 PolarHBondContact O-N 3.02Å; R36-A38 VanDerWaalsContact C-N 3.34Å; R36-A38 PolarHBondContact O-N 3.09Å; A38-K42 WeakPolarHBondContact O-CG 3.42Å; A38-K42 PolarHBondContact O-N 3.35Å
39F84.5Confident82Confident117 Ų11792.1 Ų92.151%0.51345%0.447SS..Hα-helixtrans-65.3-52.3174.1-91.3-78.7000111.5V35 R36 L37 R41 K42 Y43V35-F39 HydrophobicContact CG1-CD2 3.88Å; V35-F39 HydrophobicContact CG1-CE2 3.86Å; V35-F39 WeakPolarHBondContact O-CD2 3.47Å; V35-F39 PolarHBondContact O-N 3.02Å; V35-F39 VanDerWaalsContact O-N 3.08Å; R36-F39 PolarHBondContact O-N 3.41Å; L37-F39 VanDerWaalsContact C-N 3.31Å; L37-F39 PolarHBondContact O-N 3.27Å; F39-R41 VanDerWaalsContact C-N 3.31Å; F39-R41 PolarHBondContact O-N 3.32Å; F39-K42 WeakPolarHBondContact O-CB 3.36Å; F39-K42 PolarHBondContact O-N 3.45Å; F39-K42 VanDerWaalsContact O-N 3.09Å; F39-Y43 HydrophobicContact CB-CE2 4.47Å; F39-Y43 HydrophobicContact CD1-CE2 4.09Å; F39-Y43 WeakPolarHBondContact O-CD2 3.4Å; F39-Y43 PolarHBondContact O-N 2.93Å; F39-Y43 VanDerWaalsContact O-N 3.14Å
40I81.5Confident82Confident49 Ų4992.5 Ų92.525%0.25145%0.451SS..Hα-helixtrans-60.7-41.5-178.1-64.1171.1000111R36 L37 K42 Y43 F44 Y81R36-I40 WeakPolarHBondContact O-CG1 3.1Å; R36-I40 PolarHBondContact O-N 3.36Å; R36-I40 VanDerWaalsContact O-N 3.08Å; L37-I40 PolarHBondContact O-N 3.4Å; I40-K42 VanDerWaalsContact C-N 3.28Å; I40-K42 PolarHBondContact O-N 3.02Å; I40-Y43 PolarHBondContact O-N 3.47Å; I40-F44 PolarHBondContact O-N 3.45Å; I40-Y81 HydrophobicContact CD1-CD2 4.26Å; I40-Y81 HydrophobicContact CD1-CE1 4.25Å; I40-Y81 HydrophobicContact CD1-CE2 3.39Å; I40-Y81 VanDerWaalsContact CD1-OH 3.28Å; I40-Y81 WeakPolarHBondContact CD1-OH 3.38Å; I40-Y81 HydrophobicContact CG2-CE2 4.43Å
41R81Confident81.9Confident190 Ų19087.4 Ų87.472%0.71743%0.434SS*.Hα-helixtrans-59.7-37.7176.8-167.7179.9101.1164.35.3112.7L37 F39 A45L37-R41 WeakPolarHBondContact O-CB 3.32Å; L37-R41 PolarHBondContact O-N 3.14Å; F39-R41 VanDerWaalsContact C-N 3.31Å; F39-R41 PolarHBondContact O-N 3.32Å; R41-A45 WeakPolarHBondContact O-CB 3.28Å; R41-A45 PolarHBondContact O-N 3.08Å
42K85.1Confident81.5Confident147 Ų14790.7 Ų90.764%0.63945%0.445SS*.Hα-helixtrans-67.4-44.6177.1-75.2-179.8179.9-171.50111.1A38 F39 I40 A45 L46A38-K42 WeakPolarHBondContact O-CG 3.42Å; A38-K42 PolarHBondContact O-N 3.35Å; F39-K42 WeakPolarHBondContact O-CB 3.36Å; F39-K42 PolarHBondContact O-N 3.45Å; F39-K42 VanDerWaalsContact O-N 3.09Å; I40-K42 VanDerWaalsContact C-N 3.28Å; I40-K42 PolarHBondContact O-N 3.02Å; K42-A45 PolarHBondContact O-N 3.36Å; K42-L46 VanDerWaalsContact O-CG 3.27Å; K42-L46 WeakPolarHBondContact O-CG 3.49Å; K42-L46 PolarHBondContact O-N 3.49Å
43Y83Confident80.7Confident143 Ų14389.1 Ų89.156%0.56145%0.445SS*.Hα-helixtrans-60.5-49.8175.5-70.8-69.8000111.3F39 I40 A45 L46 D47F39-Y43 HydrophobicContact CB-CE2 4.47Å; F39-Y43 HydrophobicContact CD1-CE2 4.09Å; F39-Y43 WeakPolarHBondContact O-CD2 3.4Å; F39-Y43 PolarHBondContact O-N 2.93Å; F39-Y43 VanDerWaalsContact O-N 3.14Å; I40-Y43 PolarHBondContact O-N 3.47Å; Y43-A45 VanDerWaalsContact C-N 3.31Å; Y43-A45 PolarHBondContact O-N 3.31Å; Y43-L46 CarbonylContact O-C 3.6Å; Y43-L46 WeakPolarHBondContact O-CA 3.35Å; Y43-L46 WeakPolarHBondContact O-CB 3.31Å; Y43-L46 PolarHBondContact O-N 3.45Å; Y43-D47 PolarHBondContact O-N 3.32Å; Y43-D47 VanDerWaalsContact O-OD2 3.11Å
44F83.7Confident79.6Confident46 Ų4693.6 Ų93.620%0.20247%0.469CS..Hα-helixtrans-54.9-44176174.7-114.6000113.4I40 L46 D47 L48 D74 I75 L78I40-F44 PolarHBondContact O-N 3.45Å; F44-L46 VanDerWaalsContact C-N 3.29Å; F44-L46 PolarHBondContact O-N 3.29Å; F44-D47 PolarHBondContact O-N 3.18Å; F44-L48 WeakPolarHBondContact O-CB 3.36Å; F44-L48 PolarHBondContact O-N 3.13Å; F44-D74 HydrophobicContact CD2-CB 3.56Å; F44-D74 HydrophobicContact CE2-CB 3.87Å; F44-I75 HydrophobicContact CE2-CG1 4.32Å; F44-I75 HydrophobicContact CZ-CG1 4.45Å; F44-L78 HydrophobicContact CE1-CD2 4.29Å
45A82.1Confident78.5Confident36 Ų36102.2 Ų102.230%0.29849%0.491SS..Hα-helixtrans-66.1-3317800000112.3R41 K42 Y43 Q49R41-A45 WeakPolarHBondContact O-CB 3.28Å; R41-A45 PolarHBondContact O-N 3.08Å; K42-A45 PolarHBondContact O-N 3.36Å; Y43-A45 VanDerWaalsContact C-N 3.31Å; Y43-A45 PolarHBondContact O-N 3.31Å; A45-Q49 VanDerWaalsContact O-CB 3.29Å; A45-Q49 WeakPolarHBondContact O-CB 3.36Å; A45-Q49 WeakPolarHBondContact O-CG 3.36Å; A45-Q49 PolarHBondContact O-N 2.95Å; A45-Q49 PolarHBondContact O-NE2 2.83Å
46L82.4Confident77.1Confident98 Ų98106.8 Ų106.851%0.51350%0.504SS..Hα-helixtrans-71-42.6175-70.1170.5000111.3K42 Y43 F44 L48 Q49 L50K42-L46 VanDerWaalsContact O-CG 3.27Å; K42-L46 WeakPolarHBondContact O-CG 3.49Å; K42-L46 PolarHBondContact O-N 3.49Å; Y43-L46 CarbonylContact O-C 3.6Å; Y43-L46 WeakPolarHBondContact O-CA 3.35Å; Y43-L46 WeakPolarHBondContact O-CB 3.31Å; Y43-L46 PolarHBondContact O-N 3.45Å; F44-L46 VanDerWaalsContact C-N 3.29Å; F44-L46 PolarHBondContact O-N 3.29Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L46-L48 PolarHBondContact O-N 3.25Å; L46-Q49 PolarHBondContact O-N 2.9Å; L46-L50 WeakPolarHBondContact O-CB 3.38Å; L46-L50 PolarHBondContact O-N 3.19Å
47D80.2Confident75.8Confident62 Ų62108.3 Ų108.333%0.33251%0.511SS..Hα-helixtrans-62.2-44.9177.4-65.5-41.1000110.5Y43 F44 Q49 L50 I51Y43-D47 PolarHBondContact O-N 3.32Å; Y43-D47 VanDerWaalsContact O-OD2 3.11Å; F44-D47 PolarHBondContact O-N 3.18Å; D47-Q49 PolarHBondContact O-N 3.24Å; D47-L50 PolarHBondContact O-N 3.05Å; D47-I51 WeakPolarHBondContact O-CB 3.13Å; D47-I51 WeakPolarHBondContact O-CD1 3.27Å; D47-I51 VanDerWaalsContact O-CG1 3.22Å; D47-I51 WeakPolarHBondContact O-CG1 3.48Å; D47-I51 PolarHBondContact O-N 3.41Å
48L82Confident74.7Confident58 Ų58111.2 Ų111.230%0.30454%0.542SS..Hα-helixtrans-62.3-42.5173.9-17864000112F44 L46 I51 M52 L71F44-L48 WeakPolarHBondContact O-CB 3.36Å; F44-L48 PolarHBondContact O-N 3.13Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L46-L48 PolarHBondContact O-N 3.25Å; L48-I51 PolarHBondContact O-N 3.31Å; L48-M52 HydrophobicContact CD1-CE 4.34Å; L48-M52 HydrophobicContact CD1-CG 4.34Å; L48-M52 HydrophobicContact CD1-SD 4.28Å; L48-M52 HydrophobicContact CD2-CE 4.17Å; L48-M52 HydrophobicContact CG-CE 3.69Å; L48-M52 HydrophobicContact CG-SD 4.26Å; L48-M52 WeakPolarHBondContact O-CB 3.43Å; L48-M52 VanDerWaalsContact O-CG 3.29Å; L48-M52 WeakPolarHBondContact O-CG 3.37Å; L48-M52 PolarHBondContact O-N 3.03Å; L48-L71 HydrophobicContact CB-CD1 4.49Å; L48-L71 HydrophobicContact CD1-CD1 3.58Å
49Q81.9Confident73.7Confident122 Ų122112.9 Ų112.957%0.5754%0.542SS*.Hα-helixtrans-66.4-37.9178.3-80.417242.900112.8A45 L46 D47 M52 G53A45-Q49 VanDerWaalsContact O-CB 3.29Å; A45-Q49 WeakPolarHBondContact O-CB 3.36Å; A45-Q49 WeakPolarHBondContact O-CG 3.36Å; A45-Q49 PolarHBondContact O-N 2.95Å; A45-Q49 PolarHBondContact O-NE2 2.83Å; L46-Q49 PolarHBondContact O-N 2.9Å; D47-Q49 PolarHBondContact O-N 3.24Å; Q49-M52 HydrophobicContact CG-CE 4.47Å; Q49-M52 PolarHBondContact O-N 3.01Å; Q49-G53 PolarHBondContact O-N 3.32Å; Q49-G53 VanDerWaalsContact O-N 3.11Å
50L77Confident73.3Confident138 Ų138110.3 Ų110.372%0.72354%0.539SS*.Hα-helixtrans-66.4-42.9177.1-174.665.1000110.6L46 D47 G53L46-L50 WeakPolarHBondContact O-CB 3.38Å; L46-L50 PolarHBondContact O-N 3.19Å; D47-L50 PolarHBondContact O-N 3.05Å; L50-G53 WeakPolarHBondContact O-CA 3.38Å; L50-G53 PolarHBondContact O-N 3.38Å; L50-G53 VanDerWaalsContact O-N 3.07Å
51I74.4Confident73.2Confident49 Ų49111.9 Ų111.925%0.25156%0.559SS.*Hα-helixtrans-66.4-39.4176.3-66.6166.1000111.5D47 L48 G53 A67 L71D47-I51 WeakPolarHBondContact O-CB 3.13Å; D47-I51 WeakPolarHBondContact O-CD1 3.27Å; D47-I51 VanDerWaalsContact O-CG1 3.22Å; D47-I51 WeakPolarHBondContact O-CG1 3.48Å; D47-I51 PolarHBondContact O-N 3.41Å; L48-I51 PolarHBondContact O-N 3.31Å; I51-G53 PolarHBondContact O-N 2.89Å; I51-A67 HydrophobicContact CB-CB 4.44Å; I51-A67 HydrophobicContact CD1-CB 4.08Å; I51-A67 HydrophobicContact CG1-CB 3.88Å; I51-A67 HydrophobicContact CG2-CB 3.77Å; I51-L71 HydrophobicContact CD1-CB 4.38Å; I51-L71 HydrophobicContact CD1-CD1 4.36Å
52M72.2Confident73.3Confident121 Ų121110 Ų11060%0.59656%0.558SS**THydrogen-bonded Turntrans-72.6-4.2173.5-69.6-173-5800113.3L48 Q49 N54L48-M52 HydrophobicContact CD1-CE 4.34Å; L48-M52 HydrophobicContact CD1-CG 4.34Å; L48-M52 HydrophobicContact CD1-SD 4.28Å; L48-M52 HydrophobicContact CD2-CE 4.17Å; L48-M52 HydrophobicContact CG-CE 3.69Å; L48-M52 HydrophobicContact CG-SD 4.26Å; L48-M52 WeakPolarHBondContact O-CB 3.43Å; L48-M52 VanDerWaalsContact O-CG 3.29Å; L48-M52 WeakPolarHBondContact O-CG 3.37Å; L48-M52 PolarHBondContact O-N 3.03Å; Q49-M52 HydrophobicContact CG-CE 4.47Å; Q49-M52 PolarHBondContact O-N 3.01Å; M52-N54 PolarHBondContact O-N 2.89Å
53G64.7Low73.1Confident36 Ų36106.8 Ų106.837%0.37155%0.548SS..G310 helixtrans-33.997.6-171.300000115.3Q49 L50 I51 R55Q49-G53 PolarHBondContact O-N 3.32Å; Q49-G53 VanDerWaalsContact O-N 3.11Å; L50-G53 WeakPolarHBondContact O-CA 3.38Å; L50-G53 PolarHBondContact O-N 3.38Å; L50-G53 VanDerWaalsContact O-N 3.07Å; I51-G53 PolarHBondContact O-N 2.89Å; G53-R55 VanDerWaalsContact C-N 3.33Å; G53-R55 PolarHBondContact O-N 3.4Å
54N59.1Low73.1Confident138 Ų138107.4 Ų107.474%0.73855%0.551SS**G310 helixtrans41.541.8155.3-161.932.3000117.5M52 K56M52-N54 PolarHBondContact O-N 2.89Å; N54-K56 WeakPolarHBondContact O-CA 3.15Å; N54-K56 VanDerWaalsContact O-CB 3.31Å; N54-K56 WeakPolarHBondContact O-CB 3.29Å; N54-K56 PolarHBondContact O-N 2.91Å
55R57.8Low73.2Confident253 Ų253109.7 Ų109.796%0.95557%0.568SS**G310 helixtrans47.44.8161.1-65.5-93.7-86.4-151.7-4.9118.2G53G53-R55 VanDerWaalsContact C-N 3.33Å; G53-R55 PolarHBondContact O-N 3.4Å
56K55.7Low73.4Confident178 Ų178114.9 Ų114.977%0.77458%0.584SS**THydrogen-bonded Turntrans-107.2-18.7-165.2-108.9-171174.3-174.20113.4N54N54-K56 WeakPolarHBondContact O-CA 3.15Å; N54-K56 VanDerWaalsContact O-CB 3.31Å; N54-K56 WeakPolarHBondContact O-CB 3.29Å; N54-K56 PolarHBondContact O-N 2.91Å
57Y56.5Low73.5Confident197 Ų197110.6 Ų110.677%0.77356%0.563SS**  trans-96.2111.1171.4-67.2-81.8000106.6M59Y57-M59 PolarHBondContact O-N 3.49Å
58A59.4Low73.9Confident108 Ų108110 Ų11089%0.89356%0.564SS**  trans-59.786.6154.900000105.5S60A58-S60 PolarHBondContact O-N 3.22Å
59M63.8Low74.2Confident84 Ų84111 Ų11141%0.41457%0.573SS.*  trans-59.2131.6179.7-73.8179.893.500106.9Y57 D63Y57-M59 PolarHBondContact O-N 3.49Å; M59-D63 HydrophobicContact CB-CB 4.07Å; M59-D63 HydrophobicContact CE-CB 4.03Å
60S75.3Confident74.4Confident64 Ų64107.4 Ų107.445%0.44856%0.56SS.*  trans-56.9152.9174.7-177.60000108.7A58 E62 D63 Y64A58-S60 PolarHBondContact O-N 3.22Å; S60-E62 PolarHBondContact O-N 3.38Å; S60-E62 VanDerWaalsContact O-N 3.09Å; S60-D63 PolarHBondContact N-OD2 2.88Å; S60-D63 PolarHBondContact O-N 3.37Å; S60-Y64 PolarHBondContact O-N 3.22Å; S60-Y64 VanDerWaalsContact O-N 3.09Å
61A79.4Confident74.9Confident81 Ų81103 Ų10367%0.66954%0.537SS*.Hα-helixtrans-53.5-33.317500000111.4Y64 V65A61-Y64 PolarHBondContact O-N 3.04Å; A61-V65 WeakPolarHBondContact O-CG2 3.43Å; A61-V65 PolarHBondContact O-N 3.05Å; A61-V65 VanDerWaalsContact O-N 3.13Å
62E82.8Confident75.7Confident151 Ų151107 Ų10771%0.70655%0.553SS**Hα-helixtrans-65.4-46.4175.3-173.3173.4-174.900112.9S60 Y64 V65 F66S60-E62 PolarHBondContact O-N 3.38Å; S60-E62 VanDerWaalsContact O-N 3.09Å; E62-Y64 PolarHBondContact O-N 2.87Å; E62-V65 PolarHBondContact O-N 3.31Å; E62-F66 WeakPolarHBondContact O-CB 3.35Å; E62-F66 PolarHBondContact O-N 3.02Å
63D81.1Confident76.6Confident80 Ų80104.8 Ų104.843%0.42855%0.546SS..Hα-helixtrans-60.9-36.9177.2-62.9-31.5000111M59 S60 A67M59-D63 HydrophobicContact CB-CB 4.07Å; M59-D63 HydrophobicContact CE-CB 4.03Å; S60-D63 PolarHBondContact N-OD2 2.88Å; S60-D63 PolarHBondContact O-N 3.37Å; D63-A67 WeakPolarHBondContact O-CB 3.49Å; D63-A67 PolarHBondContact O-N 2.99Å
64Y83.1Confident77.7Confident156 Ų156104.9 Ų104.961%0.61254%0.538SS*.Hα-helixtrans-67.6-42178-167.5-88.7000112S60 A61 E62 S68S60-Y64 PolarHBondContact O-N 3.22Å; S60-Y64 VanDerWaalsContact O-N 3.09Å; A61-Y64 PolarHBondContact O-N 3.04Å; E62-Y64 PolarHBondContact O-N 2.87Å; Y64-S68 WeakPolarHBondContact CE1-OG 3.22Å; Y64-S68 VanDerWaalsContact O-CB 3.28Å; Y64-S68 WeakPolarHBondContact O-CB 3.46Å; Y64-S68 PolarHBondContact O-N 2.81Å; Y64-S68 PolarHBondContact O-OG 3.26Å
65V86.6Confident79.1Confident94 Ų94102.1 Ų102.157%0.5752%0.522SS*.Hα-helixtrans-65.1-44.5176.6171.90000110.5A61 E62 S68 T69A61-V65 WeakPolarHBondContact O-CG2 3.43Å; A61-V65 PolarHBondContact O-N 3.05Å; A61-V65 VanDerWaalsContact O-N 3.13Å; E62-V65 PolarHBondContact O-N 3.31Å; V65-S68 PolarHBondContact O-N 3.45Å; V65-T69 PolarHBondContact O-N 3.43Å; V65-T69 PolarHBondContact O-OG1 3.43Å
66F85.9Confident80.7Confident145 Ų14592.7 Ų92.764%0.63649%0.493SS*.Hα-helixtrans-60.9-50.7175.8-177-102.1000111.8E62 S68 T69 C70E62-F66 WeakPolarHBondContact O-CB 3.35Å; E62-F66 PolarHBondContact O-N 3.02Å; F66-S68 VanDerWaalsContact C-N 3.32Å; F66-S68 PolarHBondContact O-N 3.2Å; F66-T69 WeakPolarHBondContact O-CB 3.43Å; F66-T69 PolarHBondContact O-N 2.95Å; F66-C70 PolarHBondContact O-N 3.37Å; F66-C70 PolarHBondContact O-SG 2.97Å
67A85.3Confident82.2Confident8 Ų887.3 Ų87.37%0.06647%0.472CS..Hα-helixtrans-58.6-42.6177.300000112.3I51 D63 T69 C70 L71I51-A67 HydrophobicContact CB-CB 4.44Å; I51-A67 HydrophobicContact CD1-CB 4.08Å; I51-A67 HydrophobicContact CG1-CB 3.88Å; I51-A67 HydrophobicContact CG2-CB 3.77Å; D63-A67 WeakPolarHBondContact O-CB 3.49Å; D63-A67 PolarHBondContact O-N 2.99Å; A67-T69 VanDerWaalsContact C-N 3.28Å; A67-T69 PolarHBondContact O-N 3.25Å; A67-C70 PolarHBondContact O-N 3.34Å; A67-L71 WeakPolarHBondContact O-CB 3.36Å; A67-L71 PolarHBondContact O-N 2.92Å
68S87.1Confident83.6Confident50 Ų5080.7 Ų80.735%0.3545%0.449SS..Hα-helixtrans-62.3-37.1175.8-59.80000111.9Y64 V65 F66 F72Y64-S68 WeakPolarHBondContact CE1-OG 3.22Å; Y64-S68 VanDerWaalsContact O-CB 3.28Å; Y64-S68 WeakPolarHBondContact O-CB 3.46Å; Y64-S68 PolarHBondContact O-N 2.81Å; Y64-S68 PolarHBondContact O-OG 3.26Å; V65-S68 PolarHBondContact O-N 3.45Å; F66-S68 VanDerWaalsContact C-N 3.32Å; F66-S68 PolarHBondContact O-N 3.2Å; S68-F72 WeakPolarHBondContact O-CB 3.49Å; S68-F72 PolarHBondContact O-N 2.98Å
69T89.6Confident85Confident79 Ų7981.1 Ų81.149%0.48543%0.431SS..Hα-helixtrans-70-44.2177.8-54.50000111.4V65 F66 A67 F72 V73V65-T69 PolarHBondContact O-N 3.43Å; V65-T69 PolarHBondContact O-OG1 3.43Å; F66-T69 WeakPolarHBondContact O-CB 3.43Å; F66-T69 PolarHBondContact O-N 2.95Å; A67-T69 VanDerWaalsContact C-N 3.28Å; A67-T69 PolarHBondContact O-N 3.25Å; T69-F72 WeakPolarHBondContact O-CB 3.26Å; T69-F72 PolarHBondContact O-N 3.29Å; T69-V73 WeakPolarHBondContact O-CG2 3.48Å; T69-V73 PolarHBondContact O-N 2.99Å; T69-V73 VanDerWaalsContact O-N 3.11Å
70C86.5Confident86.1Confident45 Ų4582.7 Ų82.730%0.30444%0.438SS..Hα-helixtrans-58.5-49.4173.4-67.40000111.2F66 A67 F72 V73 D74F66-C70 PolarHBondContact O-N 3.37Å; F66-C70 PolarHBondContact O-SG 2.97Å; A67-C70 PolarHBondContact O-N 3.34Å; C70-F72 VanDerWaalsContact C-N 3.27Å; C70-F72 PolarHBondContact O-N 3.43Å; C70-V73 PolarHBondContact O-N 3.5Å; C70-V73 VanDerWaalsContact O-N 3.13Å; C70-D74 PolarHBondContact O-N 3.45Å; C70-D74 VanDerWaalsContact O-N 3.08Å
71L87Confident86.5Confident45 Ų4583.6 Ų83.624%0.23643%0.432CS..Hα-helixtrans-57.4-40.6176.9-169.596.2000112L48 I51 A67 D74 I75L48-L71 HydrophobicContact CB-CD1 4.49Å; L48-L71 HydrophobicContact CD1-CD1 3.58Å; I51-L71 HydrophobicContact CD1-CB 4.38Å; I51-L71 HydrophobicContact CD1-CD1 4.36Å; A67-L71 WeakPolarHBondContact O-CB 3.36Å; A67-L71 PolarHBondContact O-N 2.92Å; L71-D74 PolarHBondContact O-N 3.08Å; L71-I75 HydrophobicContact CD2-CD1 3.83Å; L71-I75 HydrophobicContact CG-CD1 4Å; L71-I75 VanDerWaalsContact O-CG1 3.26Å; L71-I75 WeakPolarHBondContact O-CG1 3.38Å; L71-I75 PolarHBondContact O-N 2.96Å
72F91Very high86.8Confident135 Ų13583.5 Ų83.559%0.59242%0.419SS*.Hα-helixtrans-62-44.8178.2176.7-100.8000111.8S68 T69 C70 D74 I75 V76S68-F72 WeakPolarHBondContact O-CB 3.49Å; S68-F72 PolarHBondContact O-N 2.98Å; T69-F72 WeakPolarHBondContact O-CB 3.26Å; T69-F72 PolarHBondContact O-N 3.29Å; C70-F72 VanDerWaalsContact C-N 3.27Å; C70-F72 PolarHBondContact O-N 3.43Å; F72-D74 VanDerWaalsContact C-N 3.31Å; F72-D74 PolarHBondContact O-N 3.48Å; F72-I75 PolarHBondContact O-N 3.13Å; F72-V76 HydrophobicContact CD1-CG2 4.34Å; F72-V76 HydrophobicContact CE1-CG2 3.87Å; F72-V76 HydrophobicContact CE2-CG2 4.12Å; F72-V76 HydrophobicContact CZ-CG2 3.76Å; F72-V76 WeakPolarHBondContact O-CG2 3.49Å; F72-V76 PolarHBondContact O-N 3.11Å
73V90.7Very high87Confident74 Ų7480.3 Ų80.345%0.44841%0.407SS..Hα-helixtrans-60.3-44176.7174.20000110.6T69 C70 I75 V76 I77T69-V73 WeakPolarHBondContact O-CG2 3.48Å; T69-V73 PolarHBondContact O-N 2.99Å; T69-V73 VanDerWaalsContact O-N 3.11Å; C70-V73 PolarHBondContact O-N 3.5Å; C70-V73 VanDerWaalsContact O-N 3.13Å; V73-I75 VanDerWaalsContact C-N 3.34Å; V73-I75 PolarHBondContact O-N 2.93Å; V73-V76 PolarHBondContact O-N 3.33Å; V73-I77 HydrophobicContact CG1-CD1 3.85Å; V73-I77 WeakPolarHBondContact O-CG1 3.37Å; V73-I77 PolarHBondContact O-N 3.02Å
74D87.7Confident87.2Confident38 Ų3879.9 Ų79.920%0.20341%0.407CS..Hα-helixtrans-63.5-39.8178.8-62.3-36000112.5F44 C70 L71 F72 I77 L78F44-D74 HydrophobicContact CD2-CB 3.56Å; F44-D74 HydrophobicContact CE2-CB 3.87Å; C70-D74 PolarHBondContact O-N 3.45Å; C70-D74 VanDerWaalsContact O-N 3.08Å; L71-D74 PolarHBondContact O-N 3.08Å; F72-D74 VanDerWaalsContact C-N 3.31Å; F72-D74 PolarHBondContact O-N 3.48Å; D74-I77 PolarHBondContact O-N 3.28Å; D74-L78 WeakPolarHBondContact O-CB 3.44Å; D74-L78 PolarHBondContact O-N 3.26Å
75I88.4Confident87Confident79 Ų7975.4 Ų75.441%0.40539%0.393SS..Hα-helixtrans-63.6-42.6176.2-70165.1000111F44 L71 F72 V73 I77 L78 F79F44-I75 HydrophobicContact CE2-CG1 4.32Å; F44-I75 HydrophobicContact CZ-CG1 4.45Å; L71-I75 HydrophobicContact CD2-CD1 3.83Å; L71-I75 HydrophobicContact CG-CD1 4Å; L71-I75 VanDerWaalsContact O-CG1 3.26Å; L71-I75 WeakPolarHBondContact O-CG1 3.38Å; L71-I75 PolarHBondContact O-N 2.96Å; F72-I75 PolarHBondContact O-N 3.13Å; V73-I75 VanDerWaalsContact C-N 3.34Å; V73-I75 PolarHBondContact O-N 2.93Å; I75-I77 VanDerWaalsContact C-N 3.35Å; I75-L78 PolarHBondContact O-N 3.11Å; I75-F79 WeakPolarHBondContact O-CB 3.41Å; I75-F79 PolarHBondContact O-N 3.07Å
76V91.6Very high87Confident55 Ų5575.6 Ų75.633%0.33339%0.39SS..Hα-helixtrans-63.2-43.4178.4171.20000110.9F72 V73 F79 Q80F72-V76 HydrophobicContact CD1-CG2 4.34Å; F72-V76 HydrophobicContact CE1-CG2 3.87Å; F72-V76 HydrophobicContact CE2-CG2 4.12Å; F72-V76 HydrophobicContact CZ-CG2 3.76Å; F72-V76 WeakPolarHBondContact O-CG2 3.49Å; F72-V76 PolarHBondContact O-N 3.11Å; V73-V76 PolarHBondContact O-N 3.33Å; V76-F79 WeakPolarHBondContact O-CB 3.41Å; V76-F79 PolarHBondContact O-N 3.23Å; V76-Q80 PolarHBondContact O-N 3.44Å
77I87.1Confident86.7Confident65 Ų6570.9 Ų70.933%0.33338%0.383SS..Hα-helixtrans-63.7-45.8177.1-68.6168.4000110.4V73 D74 I75 F79 Q80 Y81V73-I77 HydrophobicContact CG1-CD1 3.85Å; V73-I77 WeakPolarHBondContact O-CG1 3.37Å; V73-I77 PolarHBondContact O-N 3.02Å; D74-I77 PolarHBondContact O-N 3.28Å; I75-I77 VanDerWaalsContact C-N 3.35Å; I77-F79 VanDerWaalsContact C-N 3.29Å; I77-F79 PolarHBondContact O-N 2.91Å; I77-Q80 PolarHBondContact O-N 3.41Å; I77-Y81 HydrophobicContact CG2-CD2 3.94Å; I77-Y81 HydrophobicContact CG2-CE2 3.47Å; I77-Y81 VanDerWaalsContact CG2-CE2 3.47Å; I77-Y81 WeakPolarHBondContact O-CD2 3.17Å; I77-Y81 PolarHBondContact O-N 3.19Å
78L86Confident85.9Confident58 Ų5875.5 Ų75.530%0.30440%0.403SS..Hα-helixtrans-59.2-41.4175.9-179.163.5000111.8F44 D74 I75 Q80 Y81 I82F44-L78 HydrophobicContact CE1-CD2 4.29Å; D74-L78 WeakPolarHBondContact O-CB 3.44Å; D74-L78 PolarHBondContact O-N 3.26Å; I75-L78 PolarHBondContact O-N 3.11Å; L78-Q80 PolarHBondContact O-N 3.38Å; L78-Y81 PolarHBondContact O-N 2.91Å; L78-I82 HydrophobicContact CD1-CD1 4.49Å; L78-I82 HydrophobicContact CG-CD1 4.07Å; L78-I82 WeakPolarHBondContact O-CG1 3.35Å; L78-I82 PolarHBondContact O-N 3.47Å
79F88.9Confident84.6Confident117 Ų11780.1 Ų80.151%0.51342%0.421SS..Hα-helixtrans-62.1-42177.4-179.1-108.5000112.1I75 V76 I77 Y81 I82 L83I75-F79 WeakPolarHBondContact O-CB 3.41Å; I75-F79 PolarHBondContact O-N 3.07Å; V76-F79 WeakPolarHBondContact O-CB 3.41Å; V76-F79 PolarHBondContact O-N 3.23Å; I77-F79 VanDerWaalsContact C-N 3.29Å; I77-F79 PolarHBondContact O-N 2.91Å; F79-Y81 VanDerWaalsContact C-N 3.32Å; F79-Y81 PolarHBondContact O-N 3.36Å; F79-I82 PolarHBondContact O-N 2.85Å; F79-L83 HydrophobicContact CD1-CD1 3.82Å; F79-L83 HydrophobicContact CD1-CG 4.24Å; F79-L83 HydrophobicContact CE1-CD1 3.32Å; F79-L83 HydrophobicContact CE1-CD2 4.39Å; F79-L83 HydrophobicContact CE1-CG 3.88Å; F79-L83 HydrophobicContact CE2-CD2 4.39Å; F79-L83 HydrophobicContact CE2-CG 4.32Å; F79-L83 HydrophobicContact CZ-CD1 3.78Å; F79-L83 HydrophobicContact CZ-CD2 3.98Å; F79-L83 HydrophobicContact CZ-CG 3.91Å; F79-L83 WeakPolarHBondContact O-CG 3.48Å; F79-L83 PolarHBondContact O-N 3.05Å
80Q86.9Confident83.3Confident118 Ų11885 Ų8555%0.55144%0.438SS*.Hα-helixtrans-59.7-41.8175-72.7-178.9-10.300112.1V76 I77 L78 L83 T84V76-Q80 PolarHBondContact O-N 3.44Å; I77-Q80 PolarHBondContact O-N 3.41Å; L78-Q80 PolarHBondContact O-N 3.38Å; Q80-L83 WeakPolarHBondContact O-CB 3.29Å; Q80-L83 PolarHBondContact O-N 3.31Å; Q80-T84 PolarHBondContact O-N 2.81Å; Q80-T84 PolarHBondContact O-OG1 2.97Å; Q80-T84 VanDerWaalsContact O-OG1 3.13Å
81Y83.6Confident81.4Confident83 Ų8394.3 Ų94.333%0.32548%0.478SS..Hα-helixtrans-64.4-41.3175.8-75.1-63.3000112.9L37 I40 I77 L78 F79 L83 T84 L85L37-Y81 HydrophobicContact CD2-CD1 4.42Å; L37-Y81 HydrophobicContact CD2-CG 4.23Å; I40-Y81 HydrophobicContact CD1-CD2 4.26Å; I40-Y81 HydrophobicContact CD1-CE1 4.25Å; I40-Y81 HydrophobicContact CD1-CE2 3.39Å; I40-Y81 VanDerWaalsContact CD1-OH 3.28Å; I40-Y81 WeakPolarHBondContact CD1-OH 3.38Å; I40-Y81 HydrophobicContact CG2-CE2 4.43Å; I77-Y81 HydrophobicContact CG2-CD2 3.94Å; I77-Y81 HydrophobicContact CG2-CE2 3.47Å; I77-Y81 VanDerWaalsContact CG2-CE2 3.47Å; I77-Y81 WeakPolarHBondContact O-CD2 3.17Å; I77-Y81 PolarHBondContact O-N 3.19Å; L78-Y81 PolarHBondContact O-N 2.91Å; F79-Y81 VanDerWaalsContact C-N 3.32Å; F79-Y81 PolarHBondContact O-N 3.36Å; Y81-L83 VanDerWaalsContact C-N 3.29Å; Y81-L83 PolarHBondContact O-N 3.41Å; Y81-T84 PolarHBondContact O-N 2.9Å; Y81-L85 WeakPolarHBondContact O-CG 3.28Å; Y81-L85 PolarHBondContact O-N 2.59Å
82I84.9Confident81.1Confident79 Ų7996.8 Ų96.841%0.40549%0.49SS..Hα-helixtrans-61.9-41.2174.9-66.1165.9000110.2L78 F79 L85 L86L78-I82 HydrophobicContact CD1-CD1 4.49Å; L78-I82 HydrophobicContact CG-CD1 4.07Å; L78-I82 WeakPolarHBondContact O-CG1 3.35Å; L78-I82 PolarHBondContact O-N 3.47Å; F79-I82 PolarHBondContact O-N 2.85Å; I82-L85 PolarHBondContact O-N 2.94Å; I82-L86 HydrophobicContact CG2-CD1 3.91Å; I82-L86 HydrophobicContact CG2-CG 4.46Å; I82-L86 WeakPolarHBondContact O-CG 3.31Å; I82-L86 PolarHBondContact O-N 2.77Å
83L87.9Confident80.6Confident84 Ų8494.8 Ų94.844%0.4448%0.484SS..Hα-helixtrans-64.4-41.3175.9-74.6-179000112.9F79 Q80 Y81 L85 L86 G87F79-L83 HydrophobicContact CD1-CD1 3.82Å; F79-L83 HydrophobicContact CD1-CG 4.24Å; F79-L83 HydrophobicContact CE1-CD1 3.32Å; F79-L83 HydrophobicContact CE1-CD2 4.39Å; F79-L83 HydrophobicContact CE1-CG 3.88Å; F79-L83 HydrophobicContact CE2-CD2 4.39Å; F79-L83 HydrophobicContact CE2-CG 4.32Å; F79-L83 HydrophobicContact CZ-CD1 3.78Å; F79-L83 HydrophobicContact CZ-CD2 3.98Å; F79-L83 HydrophobicContact CZ-CG 3.91Å; F79-L83 WeakPolarHBondContact O-CG 3.48Å; F79-L83 PolarHBondContact O-N 3.05Å; Q80-L83 WeakPolarHBondContact O-CB 3.29Å; Q80-L83 PolarHBondContact O-N 3.31Å; Y81-L83 VanDerWaalsContact C-N 3.29Å; Y81-L83 PolarHBondContact O-N 3.41Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 PolarHBondContact O-N 2.95Å; L83-L86 PolarHBondContact O-N 3.35Å; L83-G87 PolarHBondContact O-N 3.45Å
84T84.5Confident80.1Confident70 Ų7095.9 Ų95.943%0.42949%0.486SS..Hα-helixtrans-60.3-45174.9-58.50000110.8Q80 Y81 L86 G87 E88Q80-T84 PolarHBondContact O-N 2.81Å; Q80-T84 PolarHBondContact O-OG1 2.97Å; Q80-T84 VanDerWaalsContact O-OG1 3.13Å; Y81-T84 PolarHBondContact O-N 2.9Å; T84-L86 PolarHBondContact O-N 3.2Å; T84-G87 PolarHBondContact O-N 3.09Å; T84-E88 WeakPolarHBondContact O-CG 3.49Å; T84-E88 PolarHBondContact O-N 3.02Å
85L80.6Confident79.6Confident63 Ų6399.4 Ų99.433%0.3350%0.503SS..Hα-helixtrans-62.2-41.4176.8-69.9169.8000112.4L33 L37 Y81 I82 L83 M89L33-L85 HydrophobicContact CD2-CD2 3.69Å; L33-L85 HydrophobicContact CG-CD2 4.38Å; L37-L85 HydrophobicContact CD1-CD1 4Å; L37-L85 HydrophobicContact CD1-CD2 4.2Å; L37-L85 HydrophobicContact CD2-CD1 4.28Å; Y81-L85 WeakPolarHBondContact O-CG 3.28Å; Y81-L85 PolarHBondContact O-N 2.59Å; I82-L85 PolarHBondContact O-N 2.94Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 PolarHBondContact O-N 2.95Å; L85-M89 VanDerWaalsContact O-CG 3.31Å; L85-M89 WeakPolarHBondContact O-CG 3.44Å
86L84.8Confident79.1Confident97 Ų97100.6 Ų100.651%0.50851%0.509SS..Hα-helixtrans-69.9-37.8177.2-72.6167.8000112.5I82 L83 T84 M89I82-L86 HydrophobicContact CG2-CD1 3.91Å; I82-L86 HydrophobicContact CG2-CG 4.46Å; I82-L86 WeakPolarHBondContact O-CG 3.31Å; I82-L86 PolarHBondContact O-N 2.77Å; L83-L86 PolarHBondContact O-N 3.35Å; T84-L86 PolarHBondContact O-N 3.2Å; L86-M89 HydrophobicContact CD2-SD 4.28Å; L86-M89 WeakPolarHBondContact O-CB 3.35Å; L86-M89 PolarHBondContact O-N 3.13Å
87G81Confident78.2Confident47 Ų47103.7 Ų103.749%0.48552%0.521SS..Hα-helixtrans-69.2-33.4179.100000113.2L83 T84 M89L83-G87 PolarHBondContact O-N 3.45Å; T84-G87 PolarHBondContact O-N 3.09Å; G87-M89 VanDerWaalsContact C-N 3.26Å; G87-M89 PolarHBondContact O-N 2.73Å
88E69.1Low77.6Confident104 Ų104106.4 Ų106.449%0.48653%0.534SS..Hα-helixtrans-70.9-19.6174.2-73175.8-179.500112.9T84 E90T84-E88 WeakPolarHBondContact O-CG 3.49Å; T84-E88 PolarHBondContact O-N 3.02Å; E88-E90 VanDerWaalsContact C-N 3.26Å; E88-E90 PolarHBondContact O-N 3.09Å
89M59.2Low77Confident147 Ų147110.2 Ų110.272%0.72455%0.552SS**THydrogen-bonded Turntrans-74.5-12.3177.9-69.71736200114L85 L86 G87L85-M89 VanDerWaalsContact O-CG 3.31Å; L85-M89 WeakPolarHBondContact O-CG 3.44Å; L86-M89 HydrophobicContact CD2-SD 4.28Å; L86-M89 WeakPolarHBondContact O-CB 3.35Å; L86-M89 PolarHBondContact O-N 3.13Å; G87-M89 VanDerWaalsContact C-N 3.26Å; G87-M89 PolarHBondContact O-N 2.73Å
90E61.1Low76Confident182 Ų182109.6 Ų109.685%0.8556%0.555SS**THydrogen-bonded Turntrans-97.3-0.4-175.8-72.2-107.4141.900114.4E88E88-E90 VanDerWaalsContact C-N 3.26Å; E88-E90 PolarHBondContact O-N 3.09Å
91Q48Very low75Confident241 Ų241108.8 Ų108.8100%1.12656%0.555SS**  trans-108.10176.8-64.6-166.4-5700112.4

Retrieved 91 of 91 residues in 285.2 ms (Link to these results)