A0A077Z9H2_TRITR Loading...

Putative mushroom body large-type Kenyon cell-spe cific protein 1

AlphaFold DB , UniProt , Accession A0A077Z9H2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 307 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
1M49.2Very low50.4Low233 Ų233149.5 Ų149.5100%1.14881%0.811SS**  096.10-65.3158.7124.200106.9
2S54.5Low51.2Low96 Ų96146.8 Ų146.867%0.67180%0.804SS**  64.9112.681.364.50000111.7
3N56.2Low50.5Low156 Ų156141.3 Ų141.383%0.83480%0.802SS**  cis-142160.915.5-77.4-45.6000114.4
4V52.5Low51.2Low130 Ų130142.9 Ų142.979%0.78881%0.805SS**  trans-100.3141.5175.5-143.70000110.5
5R55.5Low51.3Low238 Ų238143.3 Ų143.390%0.89880%0.804SS**  trans156.6121.8161.4-88.1146.9-173.7153.7-0.3106.3
6S49Very low51.7Low107 Ų107144.2 Ų144.275%0.74881%0.806SS**  cis70.39025.5-154.50000115.1
7C48.8Very low51.4Low120 Ų120145.1 Ų145.181%0.81181%0.809SS**  trans-164.4122.3153.2-157.30000105.7
8C48.5Very low51.7Low104 Ų104144.6 Ų144.670%0.70381%0.81SS**  cis81.181.543.4-59.80000114.9
9Y40.5Very low51.5Low222 Ų222142.4 Ų142.487%0.87181%0.805SS**  47.2132.9120.7-119.8-44.8000121.5
10V46.6Very low51.1Low110 Ų110144.7 Ų144.767%0.66781%0.806SS**  trans76.2146.4157.8-160.60000117.5
11T53.5Low50.5Low128 Ų128145.6 Ų145.679%0.78581%0.809SS**  trans66.9150.9165.820.90000116.5
12T60.2Low50.5Low118 Ų118140 Ų14072%0.72479%0.788SS**  cis-115173.6-7.856.60000109.1
13G41.8Very low50.2Low75 Ų75141.1 Ų141.177%0.77379%0.793SS**  cis94.96317.300000111.8
14L59.6Low49.3Very low163 Ų163135.5 Ų135.585%0.85377%0.766SS**  trans-145.5132.9174.4-117.5168.5000110.9
15L53Low49Very low150 Ų150136.2 Ų136.279%0.78576%0.761SS**  trans-82.4151.9173.8-61.4113.9000110.3
16N58.3Low48.1Very low157 Ų157129.5 Ų129.584%0.8475%0.75SS**  trans-155.5132144.7-102.4-37.6000110.8
17N45.5Very low47.8Very low159 Ų159130.8 Ų130.885%0.8575%0.748SS**  trans-85.5120.2173.9-86.4-76.8000109.2
18V56.6Low47.6Very low137 Ų137131.2 Ų131.283%0.8375%0.746SS**  trans-128.2128.4166.4-179.50000110.3
19S49.1Very low47.5Very low103 Ų103130.6 Ų130.672%0.7273%0.731SS**  trans-25.2120.7-174.2-162.90000118.4
20K43Very low47.6Very low187 Ų187124.3 Ų124.381%0.81371%0.713SS**  -2.4120.3129.4-55.4172.2-175.5176.80114.8
21N39.1Very low47.6Very low165 Ų165123.8 Ų123.888%0.88271%0.71SS**  trans-160.498.1139.9-106.5-13.3000108.6
22T49.4Very low47.3Very low115 Ų115120.9 Ų120.971%0.70670%0.695SS**  trans-106.7118.7177.845.50000109.4S24T22-S24 PolarHBondContact O-N 3.21Å
23P48.5Very low46.5Very low119 Ų119121.1 Ų121.177%0.77370%0.696SS**  trans-70.2113.3154.529.9-29000106.5Q25P23-Q25 PolarHBondContact O-N 3.35Å
24S35.6Very low46.6Very low38 Ų38125.8 Ų125.827%0.26670%0.703SS.*  trans-74.4124.1176.3-35.40000107.7T22 E113 A114T22-S24 PolarHBondContact O-N 3.21Å; S24-E113 WeakPolarHBondContact CA-OE1 3.3Å; S24-E113 WeakPolarHBondContact CB-OE1 3.22Å; S24-E113 PolarHBondContact N-OE1 3.48Å; S24-E113 VanDerWaalsContact O-CG 3.23Å; S24-E113 WeakPolarHBondContact O-CG 3.34Å; S24-E113 PolarHBondContact OG-OE1 3.5Å; S24-A114 WeakPolarHBondContact OG-CB 3.44Å
25Q47.7Very low45.5Very low146 Ų146121.5 Ų121.568%0.68270%0.698SS**  trans-129.6117.4152.2-74.9-163.311.900109.1P23 I27 P111P23-Q25 PolarHBondContact O-N 3.35Å; Q25-I27 PolarHBondContact O-N 3.45Å; Q25-P111 VanDerWaalsContact NE2-CG 3.26Å
26S36.5Very low45.1Very low96 Ų96118.8 Ų118.867%0.67171%0.706SS**  trans-46.6124168.846.10000111.2
27I42.7Very low44.9Very low135 Ų135116.2 Ų116.269%0.69270%0.701SS**  -170.5128.9110.7-88.8147.9000107.3Q25 K29Q25-I27 PolarHBondContact O-N 3.45Å; I27-K29 VanDerWaalsContact C-N 3.34Å; I27-K29 HydrophobicContact CG2-CG 3.85Å; I27-K29 PolarHBondContact O-N 3.34Å
28V44.1Very low45.4Very low128 Ų128119.7 Ų119.778%0.77670%0.702SS**  trans-70.692.4163.1-79.40000108.4D30V28-D30 VanDerWaalsContact C-N 3.25Å; V28-D30 PolarHBondContact O-N 3.45Å
29K46.8Very low45.9Very low91 Ų91120.5 Ų120.540%0.39669%0.69SS.*  trans-72.787.7166.3-75.1-171.5178.1177.50107.3I27 T31 D45I27-K29 VanDerWaalsContact C-N 3.34Å; I27-K29 HydrophobicContact CG2-CG 3.85Å; I27-K29 PolarHBondContact O-N 3.34Å; K29-T31 PolarHBondContact O-N 3.35Å; K29-D45 IonicContact NZ-OD1 3.8Å; K29-D45 PolarHBondContact NZ-OD1 3.36Å; K29-D45 IonicContact NZ-OD2 2.72Å; K29-D45 PolarHBondContact NZ-OD2 3.24Å
30D40.9Very low47.5Very low91 Ų91121.4 Ų121.449%0.48769%0.691SS.*  trans-48.9129.5-171.5-67.9-50.7000112.6V28 S32 R39V28-D30 VanDerWaalsContact C-N 3.25Å; V28-D30 PolarHBondContact O-N 3.45Å; D30-S32 WeakPolarHBondContact CB-OG 3.39Å; D30-S32 PolarHBondContact O-N 3.16Å; D30-R39 PolarHBondContact O-NH1 3.31Å
31T47.9Very low49.6Very low99 Ų99117.5 Ų117.561%0.60767%0.672SS**  trans-89.125.1179.353.40000112.6K29 T33 V65K29-T31 PolarHBondContact O-N 3.35Å; T31-T33 PolarHBondContact O-OG1 3.34Å; T31-V65 HydrophobicContact CG2-CG1 3.57Å
32S45.9Very low52.2Low67 Ų67112.2 Ų112.247%0.46965%0.648SS.*  trans-68.3123.2154.540.90000108.4D30D30-S32 WeakPolarHBondContact CB-OG 3.39Å; D30-S32 PolarHBondContact O-N 3.16Å
33T44.1Very low54.2Low122 Ų122112.8 Ų112.875%0.74864%0.641SS**  cis55.8106.431.6-44.40000110.5T31T31-T33 PolarHBondContact O-OG1 3.34Å
34L44.4Very low56.4Low173 Ų173112.6 Ų112.691%0.90663%0.63SS**  trans75.7145.2-160.8-44.5171.1000112.9
35G37.2Very low59.2Low74 Ų74112.2 Ų112.276%0.76363%0.625SS**  trans110.521.8160.200000121.2S37G35-S37 VanDerWaalsContact C-N 3.28Å; G35-S37 PolarHBondContact O-N 3.29Å
36G43.8Very low61.5Low92 Ų92106.3 Ų106.395%0.94860%0.598SS**  trans62.2-24.8149.300000122.6
37S54.1Low64.2Low104 Ų104105.1 Ų105.173%0.72758%0.581SS**  trans-80.9123.1-171.9-171.10000112.2G35 R39G35-S37 VanDerWaalsContact C-N 3.28Å; G35-S37 PolarHBondContact O-N 3.29Å; S37-R39 VanDerWaalsContact C-N 3.32Å; S37-R39 PolarHBondContact O-N 3.11Å
38R56.7Low66.7Low232 Ų232100.4 Ų100.488%0.87556%0.563SS**  trans-73.880-178.8-173.1-167.1-68.4172.6-1110.5T40R38-T40 PolarHBondContact O-N 2.88Å
39R66.3Low69.2Low154 Ų15494.3 Ų94.358%0.58153%0.526SS*.  trans-54.7104.5171.5-68.9178.7178.51620.8110D30 S37D30-R39 PolarHBondContact O-NH1 3.31Å; S37-R39 VanDerWaalsContact C-N 3.32Å; S37-R39 PolarHBondContact O-N 3.11Å
40T83.5Confident71.5Confident122 Ų12290.2 Ų90.275%0.74851%0.508SS*.PPolyproline II helixtrans-67.8135169.2-57.90000108.9R38R38-T40 PolarHBondContact O-N 2.88Å
41Y87.1Confident74Confident105 Ų10591.1 Ų91.141%0.41251%0.512SS..PPolyproline II helixtrans-76.3137175.855.1-94000110.4P70 T73Y41-P70 HydrophobicContact CD1-CG 4.2Å; Y41-P70 HydrophobicContact CE1-CG 4.4Å; Y41-T73 HydrophobicContact CE2-CG2 4.35Å
42S92Very high76.3Confident53 Ų5387 Ų8737%0.37149%0.487SS..PPolyproline II helixtrans-79.4165.4172.8-145.50000111.8E44 D45 L46S42-E44 VanDerWaalsContact C-N 3.31Å; S42-E44 VanDerWaalsContact CB-OE2 3.29Å; S42-E44 WeakPolarHBondContact CB-OE2 3.47Å; S42-E44 PolarHBondContact OG-OE2 3.18Å; S42-D45 PolarHBondContact N-OD2 3.32Å; S42-L46 WeakPolarHBondContact O-CB 3.46Å; S42-L46 PolarHBondContact O-N 3.46Å; S42-L46 VanDerWaalsContact O-N 3.15Å
43K93.3Very high78.6Confident127 Ų12785.1 Ų85.155%0.55247%0.471SS*.Hα-helixtrans-68.2-36.8174.2178.6-165.1166.8-158.50110.7L46 E47K43-L46 WeakPolarHBondContact O-CB 3.21Å; K43-L46 PolarHBondContact O-N 3.04Å; K43-E47 VanDerWaalsContact CE-OE2 3.31Å; K43-E47 WeakPolarHBondContact CE-OE2 2.95Å; K43-E47 WeakPolarHBondContact O-CG 3.41Å; K43-E47 PolarHBondContact O-N 2.6Å
44E94.3Very high80.9Confident116 Ų11684.6 Ų84.654%0.54246%0.455SS..Hα-helixtrans-67.9-46.3-178.9-57.862.7-130.800109.7S42 L46 E47 A48S42-E44 VanDerWaalsContact C-N 3.31Å; S42-E44 VanDerWaalsContact CB-OE2 3.29Å; S42-E44 WeakPolarHBondContact CB-OE2 3.47Å; S42-E44 PolarHBondContact OG-OE2 3.18Å; E44-L46 VanDerWaalsContact C-N 3.31Å; E44-L46 PolarHBondContact O-N 3.27Å; E44-E47 PolarHBondContact O-N 3.07Å; E44-A48 VanDerWaalsContact O-CB 3.3Å; E44-A48 WeakPolarHBondContact O-CB 3.45Å; E44-A48 PolarHBondContact O-N 3.3Å
45D95Very high83.2Confident30 Ų3080.2 Ų80.216%0.1644%0.439CS..Hα-helixtrans-53.9-46.2169.2-79.8-49000111.7K29 S42 E47 A49 V69K29-D45 IonicContact NZ-OD1 3.8Å; K29-D45 PolarHBondContact NZ-OD1 3.36Å; K29-D45 IonicContact NZ-OD2 2.72Å; K29-D45 PolarHBondContact NZ-OD2 3.24Å; S42-D45 PolarHBondContact N-OD2 3.32Å; D45-E47 PolarHBondContact O-N 2.9Å; D45-A49 WeakPolarHBondContact O-CB 3.47Å; D45-A49 PolarHBondContact O-N 3.2Å; D45-V69 HydrophobicContact CB-CG2 4.09Å
46L94.3Very high85.8Confident22 Ų2279.8 Ų79.812%0.11543%0.434CS..Hα-helixtrans-65.4-36.2179.9173.163.6000112.7S42 K43 E44 V50 V69 T73 L74 K77S42-L46 WeakPolarHBondContact O-CB 3.46Å; S42-L46 PolarHBondContact O-N 3.46Å; S42-L46 VanDerWaalsContact O-N 3.15Å; K43-L46 WeakPolarHBondContact O-CB 3.21Å; K43-L46 PolarHBondContact O-N 3.04Å; E44-L46 VanDerWaalsContact C-N 3.31Å; E44-L46 PolarHBondContact O-N 3.27Å; L46-V50 WeakPolarHBondContact O-CB 3.43Å; L46-V50 VanDerWaalsContact O-CG2 3.26Å; L46-V50 WeakPolarHBondContact O-CG2 3.21Å; L46-V50 PolarHBondContact O-N 3.03Å; L46-V69 HydrophobicContact CB-CG2 4.5Å; L46-V69 HydrophobicContact CD1-CG1 3.78Å; L46-T73 HydrophobicContact CD1-CG2 3.91Å; L46-T73 HydrophobicContact CD2-CG2 4.46Å; L46-L74 HydrophobicContact CD1-CD2 4.25Å; L46-K77 HydrophobicContact CD1-CB 4.19Å; L46-K77 HydrophobicContact CD1-CG 4.23Å; L46-K77 HydrophobicContact CD2-CD 4.45Å; L46-K77 HydrophobicContact CG-CG 4.44Å
47E94.9Very high88.2Confident71 Ų7183.7 Ų83.733%0.33242%0.421SS..Hα-helixtrans-83.4-40.3-177.2-71.2179.1168.700111.4K43 E44 D45 V50 L51 K77K43-E47 VanDerWaalsContact CE-OE2 3.31Å; K43-E47 WeakPolarHBondContact CE-OE2 2.95Å; K43-E47 WeakPolarHBondContact O-CG 3.41Å; K43-E47 PolarHBondContact O-N 2.6Å; E44-E47 PolarHBondContact O-N 3.07Å; D45-E47 PolarHBondContact O-N 2.9Å; E47-V50 PolarHBondContact O-N 3.16Å; E47-L51 WeakPolarHBondContact O-CG 3.03Å; E47-L51 PolarHBondContact O-N 2.71Å; E47-K77 IonicContact OE1-NZ 2.76Å; E47-K77 PolarHBondContact OE1-NZ 2.99Å
48A95.2Very high90Very high36 Ų3679.8 Ų79.830%0.29839%0.391SS..Hα-helixtrans-58.7-48.816900000111.9E44 V50 L51 D52 Y67E44-A48 VanDerWaalsContact O-CB 3.3Å; E44-A48 WeakPolarHBondContact O-CB 3.45Å; E44-A48 PolarHBondContact O-N 3.3Å; A48-V50 PolarHBondContact O-N 3.41Å; A48-V50 VanDerWaalsContact O-N 3.15Å; A48-L51 PolarHBondContact O-N 3.17Å; A48-D52 PolarHBondContact O-N 3.48Å; A48-Y67 HydrophobicContact CB-CD1 4.22Å; A48-Y67 HydrophobicContact CB-CE1 3.61Å
49A96Very high91.7Very high0 Ų071 Ų710%037%0.373CS..Hα-helixtrans-56.7-32.8176.900000113.4D45 I53 A63 Y67 V69 L74D45-A49 WeakPolarHBondContact O-CB 3.47Å; D45-A49 PolarHBondContact O-N 3.2Å; A49-I53 WeakPolarHBondContact O-CD1 3.31Å; A49-I53 WeakPolarHBondContact O-CG1 3.43Å; A49-I53 PolarHBondContact O-N 3.26Å; A49-A63 HydrophobicContact CB-CB 4.4Å; A49-Y67 HydrophobicContact CB-CD1 4.37Å; A49-Y67 HydrophobicContact CB-CD2 3.38Å; A49-Y67 HydrophobicContact CB-CE2 3.92Å; A49-Y67 HydrophobicContact CB-CG 3.65Å; A49-V69 HydrophobicContact CB-CG2 4.39Å; A49-L74 HydrophobicContact CB-CD2 3.49Å; A49-L74 VanDerWaalsContact CB-CD2 3.49Å
50V94.9Very high93Very high4 Ų466 Ų662%0.02436%0.36CS..Hα-helixtrans-84.8-29.4-178.3166.80000112.2L46 E47 A48 R54 L74 K77 I78 L81L46-V50 WeakPolarHBondContact O-CB 3.43Å; L46-V50 VanDerWaalsContact O-CG2 3.26Å; L46-V50 WeakPolarHBondContact O-CG2 3.21Å; L46-V50 PolarHBondContact O-N 3.03Å; E47-V50 PolarHBondContact O-N 3.16Å; A48-V50 PolarHBondContact O-N 3.41Å; A48-V50 VanDerWaalsContact O-N 3.15Å; V50-R54 WeakPolarHBondContact O-CB 3.48Å; V50-R54 VanDerWaalsContact O-CD 3.29Å; V50-R54 WeakPolarHBondContact O-CD 3.14Å; V50-R54 WeakPolarHBondContact O-CG 3.25Å; V50-R54 PolarHBondContact O-N 3.25Å; V50-L74 HydrophobicContact CG2-CD2 4.01Å; V50-K77 HydrophobicContact CB-CG 4.47Å; V50-K77 HydrophobicContact CG1-CG 4.31Å; V50-K77 HydrophobicContact CG2-CB 4.14Å; V50-K77 HydrophobicContact CG2-CG 3.83Å; V50-I78 HydrophobicContact CG1-CG1 4.49Å; V50-I78 HydrophobicContact CG2-CG1 4.19Å; V50-L81 HydrophobicContact CG1-CD1 3.62Å
51L94.3Very high93.6Very high111 Ų11169.2 Ų69.258%0.58136%0.358SS*.Hα-helixtrans-64.2-43.5166.8-69169000111.3E47 A48 I53 R54 S55E47-L51 WeakPolarHBondContact O-CG 3.03Å; E47-L51 PolarHBondContact O-N 2.71Å; A48-L51 PolarHBondContact O-N 3.17Å; L51-I53 VanDerWaalsContact C-N 3.32Å; L51-I53 PolarHBondContact O-N 3.49Å; L51-R54 PolarHBondContact O-N 3.02Å; L51-S55 WeakPolarHBondContact O-CB 3.31Å; L51-S55 PolarHBondContact O-N 3.32Å; L51-S55 PolarHBondContact O-OG 3.18Å
52D95Very high94Very high12 Ų1272.8 Ų72.86%0.06437%0.371CS..Hα-helixtrans-63.3-32.7177.1-96.560.1000114.1A48 S55 R57 L58 Y67A48-D52 PolarHBondContact O-N 3.48Å; D52-S55 WeakPolarHBondContact CA-OG 3.06Å; D52-S55 PolarHBondContact O-OG 3.38Å; D52-R57 VanDerWaalsContact CG-NH2 3.29Å; D52-R57 PolarHBondContact O-N 3.48Å; D52-R57 IonicContact OD1-CZ 2.67Å; D52-R57 IonicContact OD1-NE 3.12Å; D52-R57 IonicContact OD1-NH2 3.34Å; D52-R57 PolarHBondContact OD1-NH2 3.5Å; D52-R57 IonicContact OD2-CZ 3.49Å; D52-R57 IonicContact OD2-NE 3.54Å; D52-R57 PolarHBondContact OD2-NE 3.49Å; D52-R57 IonicContact OD2-NH2 2.7Å; D52-R57 PolarHBondContact OD2-NH2 3.42Å; D52-R57 VanDerWaalsContact OD2-NH2 3.12Å; D52-L58 HydrophobicContact CB-CB 4.22Å; D52-L58 HydrophobicContact CB-CD1 3.92Å; D52-L58 HydrophobicContact CB-CG 4.2Å; D52-L58 PolarHBondContact O-N 3.39Å; D52-L58 VanDerWaalsContact OD2-CD1 3.27Å; D52-L58 WeakPolarHBondContact OD2-CD1 3.41Å; D52-Y67 HydrophobicContact CB-CE2 4.36Å; D52-Y67 PolarHBondContact OD1-OH 3.21Å
53I94.7Very high94.1Very high28 Ų2870.2 Ų70.214%0.14435%0.353CS..Hα-helixtrans-80.3-36.7177.2-60.9156.6000111.1A49 L51 G56 L58 T60 A63 L74 I78A49-I53 WeakPolarHBondContact O-CD1 3.31Å; A49-I53 WeakPolarHBondContact O-CG1 3.43Å; A49-I53 PolarHBondContact O-N 3.26Å; L51-I53 VanDerWaalsContact C-N 3.32Å; L51-I53 PolarHBondContact O-N 3.49Å; I53-G56 PolarHBondContact O-N 3.43Å; I53-L58 VanDerWaalsContact CA-O 3.31Å; I53-L58 WeakPolarHBondContact CA-O 3.13Å; I53-L58 WeakPolarHBondContact CG1-O 3.41Å; I53-T60 HydrophobicContact CD1-CG2 4.38Å; I53-T60 HydrophobicContact CG2-CG2 4.19Å; I53-A63 HydrophobicContact CD1-CB 3.63Å; I53-A63 HydrophobicContact CG1-CB 3.8Å; I53-L74 HydrophobicContact CD1-CB 4.37Å; I53-L74 HydrophobicContact CD1-CD1 4.11Å; I53-L74 HydrophobicContact CD1-CD2 4.22Å; I53-L74 HydrophobicContact CD1-CG 4.47Å; I53-I78 HydrophobicContact CB-CD1 4.22Å; I53-I78 HydrophobicContact CD1-CD1 3.68Å; I53-I78 HydrophobicContact CG1-CD1 4.5Å; I53-I78 HydrophobicContact CG2-CD1 3.71Å; I53-I78 HydrophobicContact CG2-CG1 4.37Å
54R92.3Very high94.2Very high111 Ų11165.2 Ų65.242%0.41933%0.334SS..Hα-helixtrans-70.4-33.3177-76165.2129.2-152.6-8.1113.5V50 L51 G56 L81V50-R54 WeakPolarHBondContact O-CB 3.48Å; V50-R54 VanDerWaalsContact O-CD 3.29Å; V50-R54 WeakPolarHBondContact O-CD 3.14Å; V50-R54 WeakPolarHBondContact O-CG 3.25Å; V50-R54 PolarHBondContact O-N 3.25Å; L51-R54 PolarHBondContact O-N 3.02Å; R54-G56 PolarHBondContact O-N 2.96Å; R54-L81 PolarHBondContact NH2-O 2.93Å
55S92Very high94.2Very high81 Ų8163.9 Ų63.957%0.56633%0.334SS*.THydrogen-bonded Turntrans-77.1-2.1172.253.90000113.4L51 D52 R57L51-S55 WeakPolarHBondContact O-CB 3.31Å; L51-S55 PolarHBondContact O-N 3.32Å; L51-S55 PolarHBondContact O-OG 3.18Å; D52-S55 WeakPolarHBondContact CA-OG 3.06Å; D52-S55 PolarHBondContact O-OG 3.38Å; S55-R57 PolarHBondContact O-N 3.14Å
56G92.3Very high94.1Very high64 Ų6466.3 Ų66.366%0.6635%0.346SS*.SBendtrans73-3.9-175.800000114.9I53 R54 L58I53-G56 PolarHBondContact O-N 3.43Å; R54-G56 PolarHBondContact O-N 2.96Å; G56-L58 VanDerWaalsContact C-N 3.3Å; G56-L58 PolarHBondContact O-N 2.85Å
57R93.9Very high94.1Very high175 Ų17566.9 Ų66.966%0.6635%0.347SS*.SBendtrans-61.2-35.8-176.9-169.2164.972.8176.71.8112.6D52 S55D52-R57 VanDerWaalsContact CG-NH2 3.29Å; D52-R57 PolarHBondContact O-N 3.48Å; D52-R57 IonicContact OD1-CZ 2.67Å; D52-R57 IonicContact OD1-NE 3.12Å; D52-R57 IonicContact OD1-NH2 3.34Å; D52-R57 PolarHBondContact OD1-NH2 3.5Å; D52-R57 IonicContact OD2-CZ 3.49Å; D52-R57 IonicContact OD2-NE 3.54Å; D52-R57 PolarHBondContact OD2-NE 3.49Å; D52-R57 IonicContact OD2-NH2 2.7Å; D52-R57 PolarHBondContact OD2-NH2 3.42Å; D52-R57 VanDerWaalsContact OD2-NH2 3.12Å; S55-R57 PolarHBondContact O-N 3.14Å
58L92.1Very high94.1Very high22 Ų2265.4 Ų65.412%0.11535%0.351CS..SBendtrans-134.1132.3177.4-63.1176.1000112.6D52 I53 G56 R62 A63 I66 Y67D52-L58 HydrophobicContact CB-CB 4.22Å; D52-L58 HydrophobicContact CB-CD1 3.92Å; D52-L58 HydrophobicContact CB-CG 4.2Å; D52-L58 PolarHBondContact O-N 3.39Å; D52-L58 VanDerWaalsContact OD2-CD1 3.27Å; D52-L58 WeakPolarHBondContact OD2-CD1 3.41Å; I53-L58 VanDerWaalsContact CA-O 3.31Å; I53-L58 WeakPolarHBondContact CA-O 3.13Å; I53-L58 WeakPolarHBondContact CG1-O 3.41Å; G56-L58 VanDerWaalsContact C-N 3.3Å; G56-L58 PolarHBondContact O-N 2.85Å; L58-R62 HydrophobicContact CB-CB 4.48Å; L58-R62 HydrophobicContact CD2-CB 4Å; L58-A63 HydrophobicContact CB-CB 4.17Å; L58-A63 HydrophobicContact CD1-CB 4.31Å; L58-I66 HydrophobicContact CD1-CD1 3.69Å; L58-I66 HydrophobicContact CD2-CD1 3.83Å; L58-I66 HydrophobicContact CG-CD1 4.45Å; L58-Y67 HydrophobicContact CD1-CE2 3.85Å
59G92.6Very high93.9Very high48 Ų4863.7 Ų63.750%0.49534%0.336SS..  trans-72.3155.1165.800000112.4R61 R62 A63G59-R61 PolarHBondContact O-N 2.91Å; G59-R62 PolarHBondContact O-N 3.04Å; G59-A63 PolarHBondContact O-N 3.31Å; G59-A63 VanDerWaalsContact O-N 3.16Å
60T93.7Very high93.8Very high49 Ų4966.1 Ų66.130%0.30135%0.352SS..Hα-helixtrans-54-17.2-178.4660000115.7I53 S64 R71 I78I53-T60 HydrophobicContact CD1-CG2 4.38Å; I53-T60 HydrophobicContact CG2-CG2 4.19Å; T60-S64 WeakPolarHBondContact O-CB 3.38Å; T60-R71 PolarHBondContact O-NE 3.12Å; T60-R71 PolarHBondContact OG1-NH2 3.32Å; T60-I78 HydrophobicContact CG2-CD1 3.81Å
61R95.4Very high93.8Very high189 Ų18971.8 Ų71.871%0.71337%0.373SS*.Hα-helixtrans-77.4-46.8171.4-168.5177.6-177.7-1740111.9G59G59-R61 PolarHBondContact O-N 2.91Å
62R95.6Very high93.7Very high179 Ų17970.1 Ų70.168%0.67537%0.37SS*.Hα-helixtrans-70.8-47.6-177.4-76.3-170.6166-169.6-4.9111.4L58 G59 S64 V65 I66L58-R62 HydrophobicContact CB-CB 4.48Å; L58-R62 HydrophobicContact CD2-CB 4Å; G59-R62 PolarHBondContact O-N 3.04Å; R62-S64 PolarHBondContact O-N 3.27Å; R62-V65 PolarHBondContact O-N 3.17Å; R62-I66 HydrophobicContact CB-CD1 4.25Å; R62-I66 WeakPolarHBondContact O-CG1 3.38Å; R62-I66 PolarHBondContact O-N 3.37Å
63A95.2Very high93.6Very high0 Ų071.2 Ų71.20%038%0.378CS..Hα-helixtrans-57.6-36.6177.700000112.8A49 I53 L58 G59 V65 I66 Y67 L74A49-A63 HydrophobicContact CB-CB 4.4Å; I53-A63 HydrophobicContact CD1-CB 3.63Å; I53-A63 HydrophobicContact CG1-CB 3.8Å; L58-A63 HydrophobicContact CB-CB 4.17Å; L58-A63 HydrophobicContact CD1-CB 4.31Å; G59-A63 PolarHBondContact O-N 3.31Å; G59-A63 VanDerWaalsContact O-N 3.16Å; A63-V65 VanDerWaalsContact C-N 3.31Å; A63-V65 PolarHBondContact O-N 3.34Å; A63-I66 PolarHBondContact O-N 3.27Å; A63-Y67 HydrophobicContact CB-CD2 4.15Å; A63-Y67 HydrophobicContact CB-CE2 4.41Å; A63-Y67 WeakPolarHBondContact O-CD2 3.41Å; A63-Y67 PolarHBondContact O-N 3.36Å; A63-L74 HydrophobicContact CB-CD1 4.09Å
64S95Very high93.6Very high22 Ų2269.9 Ų69.915%0.15437%0.371CS..Hα-helixtrans-65.9-31.7177.2-173.40000113.9T60 R62 G68 V69 R71T60-S64 WeakPolarHBondContact O-CB 3.38Å; R62-S64 PolarHBondContact O-N 3.27Å; S64-G68 CarbonylContact O-C 3.56Å; S64-G68 WeakPolarHBondContact O-CA 3.47Å; S64-G68 PolarHBondContact O-N 2.99Å; S64-V69 WeakPolarHBondContact CA-O 3.35Å; S64-V69 VanDerWaalsContact CB-O 3.25Å; S64-V69 WeakPolarHBondContact CB-O 3.14Å; S64-V69 PolarHBondContact OG-O 2.82Å; S64-R71 VanDerWaalsContact CB-CG 3.43Å; S64-R71 WeakPolarHBondContact OG-CG 3.42Å; S64-R71 PolarHBondContact OG-N 2.9Å
65V93.7Very high93.6Very high87 Ų8771.8 Ų71.853%0.52738%0.378SS..Hα-helixtrans-77.8-45.2175174.60000110.6T31 R62 A63T31-V65 HydrophobicContact CG2-CG1 3.57Å; R62-V65 PolarHBondContact O-N 3.17Å; A63-V65 VanDerWaalsContact C-N 3.31Å; A63-V65 PolarHBondContact O-N 3.34Å
66I93.9Very high93.6Very high81 Ų8172.5 Ų72.542%0.41538%0.375SS..Hα-helixtrans-68.2-49-174.8-68.8162.7000112L58 R62 A63L58-I66 HydrophobicContact CD1-CD1 3.69Å; L58-I66 HydrophobicContact CD2-CD1 3.83Å; L58-I66 HydrophobicContact CG-CD1 4.45Å; R62-I66 HydrophobicContact CB-CD1 4.25Å; R62-I66 WeakPolarHBondContact O-CG1 3.38Å; R62-I66 PolarHBondContact O-N 3.37Å; A63-I66 PolarHBondContact O-N 3.27Å
67Y94.4Very high93.6Very high35 Ų3571.9 Ų71.914%0.13736%0.355CS..SBendtrans-92.8-1-176.9-60.1-83.6000113.3A48 A49 D52 L58 A63 V69A48-Y67 HydrophobicContact CB-CD1 4.22Å; A48-Y67 HydrophobicContact CB-CE1 3.61Å; A49-Y67 HydrophobicContact CB-CD1 4.37Å; A49-Y67 HydrophobicContact CB-CD2 3.38Å; A49-Y67 HydrophobicContact CB-CE2 3.92Å; A49-Y67 HydrophobicContact CB-CG 3.65Å; D52-Y67 HydrophobicContact CB-CE2 4.36Å; D52-Y67 PolarHBondContact OD1-OH 3.21Å; L58-Y67 HydrophobicContact CD1-CE2 3.85Å; A63-Y67 HydrophobicContact CB-CD2 4.15Å; A63-Y67 HydrophobicContact CB-CE2 4.41Å; A63-Y67 WeakPolarHBondContact O-CD2 3.41Å; A63-Y67 PolarHBondContact O-N 3.36Å; Y67-V69 PolarHBondContact O-N 2.87Å; Y67-V69 VanDerWaalsContact O-N 3.09Å
68G93.1Very high93.4Very high40 Ų4064 Ų6441%0.41233%0.325SS..  trans67.12-174.900000115.5S64S64-G68 CarbonylContact O-C 3.56Å; S64-G68 WeakPolarHBondContact O-CA 3.47Å; S64-G68 PolarHBondContact O-N 2.99Å
69V92.1Very high93.2Very high0 Ų066.7 Ų66.70%034%0.337CS..  trans-76.5130-175.5-172.40000110.5D45 L46 A49 S64 Y67 R71 T73 L74D45-V69 HydrophobicContact CB-CG2 4.09Å; L46-V69 HydrophobicContact CB-CG2 4.5Å; L46-V69 HydrophobicContact CD1-CG1 3.78Å; A49-V69 HydrophobicContact CB-CG2 4.39Å; S64-V69 WeakPolarHBondContact CA-O 3.35Å; S64-V69 VanDerWaalsContact CB-O 3.25Å; S64-V69 WeakPolarHBondContact CB-O 3.14Å; S64-V69 PolarHBondContact OG-O 2.82Å; Y67-V69 PolarHBondContact O-N 2.87Å; Y67-V69 VanDerWaalsContact O-N 3.09Å; V69-R71 PolarHBondContact O-N 2.88Å; V69-T73 HydrophobicContact CG1-CG2 4.1Å; V69-L74 HydrophobicContact CB-CD1 4.31Å; V69-L74 HydrophobicContact CB-CD2 3.88Å; V69-L74 HydrophobicContact CB-CG 3.97Å; V69-L74 HydrophobicContact CG1-CD2 3.65Å; V69-L74 HydrophobicContact CG1-CG 3.71Å; V69-L74 HydrophobicContact CG2-CD2 4.42Å
70P94.1Very high92.6Very high51 Ų5172 Ų7233%0.33135%0.347SS..  trans-58.2138.3177.9-26.234.6000113.6Y41 S72 T73 L74Y41-P70 HydrophobicContact CD1-CG 4.2Å; Y41-P70 HydrophobicContact CE1-CG 4.4Å; P70-S72 PolarHBondContact O-N 3.28Å; P70-S72 VanDerWaalsContact O-N 3.12Å; P70-T73 WeakPolarHBondContact O-CA 3.23Å; P70-T73 WeakPolarHBondContact O-CB 3.39Å; P70-T73 PolarHBondContact O-N 3.01Å; P70-L74 PolarHBondContact O-N 3.11Å
71R93.4Very high91.9Very high123 Ų12372.1 Ų72.146%0.46435%0.345SS..Hα-helixtrans-55.3-33-177.8-61.3-166.472.1-168.8-5.5114T60 S64 V69 R75T60-R71 PolarHBondContact O-NE 3.12Å; T60-R71 PolarHBondContact OG1-NH2 3.32Å; S64-R71 VanDerWaalsContact CB-CG 3.43Å; S64-R71 WeakPolarHBondContact OG-CG 3.42Å; S64-R71 PolarHBondContact OG-N 2.9Å; V69-R71 PolarHBondContact O-N 2.88Å; R71-R75 WeakPolarHBondContact O-CB 3.49Å; R71-R75 PolarHBondContact O-N 2.87Å
72S92.7Very high90.8Very high75 Ų7568.2 Ų68.252%0.52434%0.335SS..Hα-helixtrans-67.1-46.4174.1450000111.9P70 L74 R75 N76P70-S72 PolarHBondContact O-N 3.28Å; P70-S72 VanDerWaalsContact O-N 3.12Å; S72-L74 PolarHBondContact O-N 3.32Å; S72-R75 PolarHBondContact O-N 3.32Å; S72-N76 WeakPolarHBondContact O-CB 3.16Å; S72-N76 PolarHBondContact O-N 2.78Å; S72-N76 PolarHBondContact O-ND2 3.28Å; S72-N76 PolarHBondContact O-OD1 2.91Å
73T94.2Very high89.3Confident35 Ų3565 Ų6522%0.21534%0.335CS..Hα-helixtrans-59.3-46.3175.5-50.30000111.1Y41 L46 V69 P70 N76 K77Y41-T73 HydrophobicContact CE2-CG2 4.35Å; L46-T73 HydrophobicContact CD1-CG2 3.91Å; L46-T73 HydrophobicContact CD2-CG2 4.46Å; V69-T73 HydrophobicContact CG1-CG2 4.1Å; P70-T73 WeakPolarHBondContact O-CA 3.23Å; P70-T73 WeakPolarHBondContact O-CB 3.39Å; P70-T73 PolarHBondContact O-N 3.01Å; T73-N76 PolarHBondContact O-N 3.32Å; T73-K77 PolarHBondContact O-N 2.76Å
74L94.4Very high87.6Confident0 Ų066.9 Ų66.90%035%0.35CS..Hα-helixtrans-58-55.3173.9-67.9175.3000110.9L46 A49 V50 I53 A63 V69 P70 S72 N76 K77 I78L46-L74 HydrophobicContact CD1-CD2 4.25Å; A49-L74 HydrophobicContact CB-CD2 3.49Å; A49-L74 VanDerWaalsContact CB-CD2 3.49Å; V50-L74 HydrophobicContact CG2-CD2 4.01Å; I53-L74 HydrophobicContact CD1-CB 4.37Å; I53-L74 HydrophobicContact CD1-CD1 4.11Å; I53-L74 HydrophobicContact CD1-CD2 4.22Å; I53-L74 HydrophobicContact CD1-CG 4.47Å; A63-L74 HydrophobicContact CB-CD1 4.09Å; V69-L74 HydrophobicContact CB-CD1 4.31Å; V69-L74 HydrophobicContact CB-CD2 3.88Å; V69-L74 HydrophobicContact CB-CG 3.97Å; V69-L74 HydrophobicContact CG1-CD2 3.65Å; V69-L74 HydrophobicContact CG1-CG 3.71Å; V69-L74 HydrophobicContact CG2-CD2 4.42Å; P70-L74 PolarHBondContact O-N 3.11Å; S72-L74 PolarHBondContact O-N 3.32Å; L74-N76 VanDerWaalsContact C-N 3.26Å; L74-N76 PolarHBondContact O-N 3.14Å; L74-K77 PolarHBondContact O-N 3.35Å; L74-K77 VanDerWaalsContact O-N 3.16Å; L74-I78 HydrophobicContact CB-CD1 4.25Å; L74-I78 WeakPolarHBondContact O-CB 3.06Å; L74-I78 VanDerWaalsContact O-CD1 3.3Å; L74-I78 WeakPolarHBondContact O-CD1 3.31Å; L74-I78 WeakPolarHBondContact O-CG1 3.29Å; L74-I78 PolarHBondContact O-N 3.19Å
75R92.6Very high85.7Confident152 Ų15268.5 Ų68.557%0.57436%0.361SS*.Hα-helixtrans-55.1-40.9179.3-173.5179.2-177.7-156.6-1112.5R71 S72 I78 H79R71-R75 WeakPolarHBondContact O-CB 3.49Å; R71-R75 PolarHBondContact O-N 2.87Å; S72-R75 PolarHBondContact O-N 3.32Å; R75-I78 PolarHBondContact O-N 3.17Å; R75-H79 WeakPolarHBondContact CG-NE2 3.39Å; R75-H79 PolarHBondContact NE-CE1 2.84Å; R75-H79 PolarHBondContact NE-NE2 3.44Å; R75-H79 PolarHBondContact O-CD2 2.94Å; R75-H79 VanDerWaalsContact O-CG 3.27Å; R75-H79 PolarHBondContact O-N 3.12Å
76N91.5Very high83.8Confident95 Ų9567.2 Ų67.251%0.50837%0.366SS..Hα-helixtrans-68.2-41.3179.1-70.1-11.8000112.8S72 T73 L74 K80S72-N76 WeakPolarHBondContact O-CB 3.16Å; S72-N76 PolarHBondContact O-N 2.78Å; S72-N76 PolarHBondContact O-ND2 3.28Å; S72-N76 PolarHBondContact O-OD1 2.91Å; T73-N76 PolarHBondContact O-N 3.32Å; L74-N76 VanDerWaalsContact C-N 3.26Å; L74-N76 PolarHBondContact O-N 3.14Å; N76-K80 VanDerWaalsContact O-CG 3.32Å; N76-K80 WeakPolarHBondContact O-CG 3.14Å; N76-K80 PolarHBondContact O-N 3.26Å
77K91.4Very high81.9Confident52 Ų5266.9 Ų66.923%0.22637%0.37CS..Hα-helixtrans-70.7-36.8175.6-176.382.7168.9-161.70110.7L46 E47 V50 T73 L74 L81L46-K77 HydrophobicContact CD1-CB 4.19Å; L46-K77 HydrophobicContact CD1-CG 4.23Å; L46-K77 HydrophobicContact CD2-CD 4.45Å; L46-K77 HydrophobicContact CG-CG 4.44Å; E47-K77 IonicContact OE1-NZ 2.76Å; E47-K77 PolarHBondContact OE1-NZ 2.99Å; V50-K77 HydrophobicContact CB-CG 4.47Å; V50-K77 HydrophobicContact CG1-CG 4.31Å; V50-K77 HydrophobicContact CG2-CB 4.14Å; V50-K77 HydrophobicContact CG2-CG 3.83Å; T73-K77 PolarHBondContact O-N 2.76Å; L74-K77 PolarHBondContact O-N 3.35Å; L74-K77 VanDerWaalsContact O-N 3.16Å; K77-L81 HydrophobicContact CG-CD1 4.24Å; K77-L81 WeakPolarHBondContact O-CD1 3.49Å; K77-L81 WeakPolarHBondContact O-CG 3.31Å; K77-L81 PolarHBondContact O-N 3.14Å
78I90.4Very high79.8Confident9 Ų972.1 Ų72.15%0.04640%0.398CS..Hα-helixtrans-62.2-55.8173.9-68.9159.1000111.3V50 I53 T60 L74 R75 K80 L81 E82V50-I78 HydrophobicContact CG1-CG1 4.49Å; V50-I78 HydrophobicContact CG2-CG1 4.19Å; I53-I78 HydrophobicContact CB-CD1 4.22Å; I53-I78 HydrophobicContact CD1-CD1 3.68Å; I53-I78 HydrophobicContact CG1-CD1 4.5Å; I53-I78 HydrophobicContact CG2-CD1 3.71Å; I53-I78 HydrophobicContact CG2-CG1 4.37Å; T60-I78 HydrophobicContact CG2-CD1 3.81Å; L74-I78 HydrophobicContact CB-CD1 4.25Å; L74-I78 WeakPolarHBondContact O-CB 3.06Å; L74-I78 VanDerWaalsContact O-CD1 3.3Å; L74-I78 WeakPolarHBondContact O-CD1 3.31Å; L74-I78 WeakPolarHBondContact O-CG1 3.29Å; L74-I78 PolarHBondContact O-N 3.19Å; R75-I78 PolarHBondContact O-N 3.17Å; I78-K80 VanDerWaalsContact C-N 3.3Å; I78-K80 PolarHBondContact O-N 3.22Å; I78-L81 CarbonylContact O-C 3.39Å; I78-L81 WeakPolarHBondContact O-CA 3.35Å; I78-L81 PolarHBondContact O-N 3.29Å; I78-E82 HydrophobicContact CG2-CG 3.98Å; I78-E82 WeakPolarHBondContact CG2-OE1 3.42Å; I78-E82 WeakPolarHBondContact CG2-OE2 3.44Å; I78-E82 WeakPolarHBondContact O-CG 3.38Å; I78-E82 PolarHBondContact O-N 3.28Å
79H86.9Confident77.7Confident78 Ų7878.5 Ų78.536%0.36142%0.419SS..Hα-helixtrans-56.3-43.8-179.6-69.7-179.1000112R75 L81 E82 V83R75-H79 WeakPolarHBondContact CG-NE2 3.39Å; R75-H79 PolarHBondContact NE-CE1 2.84Å; R75-H79 PolarHBondContact NE-NE2 3.44Å; R75-H79 PolarHBondContact O-CD2 2.94Å; R75-H79 VanDerWaalsContact O-CG 3.27Å; R75-H79 PolarHBondContact O-N 3.12Å; H79-L81 VanDerWaalsContact C-N 3.32Å; H79-E82 IonicContact CD2-OE2 3.82Å; H79-E82 PolarHBondContact O-N 2.71Å; H79-V83 WeakPolarHBondContact O-CG2 3.28Å; H79-V83 PolarHBondContact O-N 2.75Å
80K81.9Confident76.1Confident161 Ų16182.2 Ų82.270%0.745%0.45SS*.Hα-helixtrans-60-45.1172.7-71.6177.2178.3-170.20110.9N76 I78 A84N76-K80 VanDerWaalsContact O-CG 3.32Å; N76-K80 WeakPolarHBondContact O-CG 3.14Å; N76-K80 PolarHBondContact O-N 3.26Å; I78-K80 VanDerWaalsContact C-N 3.3Å; I78-K80 PolarHBondContact O-N 3.22Å; K80-A84 WeakPolarHBondContact O-CB 3.29Å; K80-A84 PolarHBondContact O-N 3.4Å
81L77.8Confident73.7Confident51 Ų5189.9 Ų89.927%0.26747%0.472SS..Hα-helixtrans-56.1-43.317667.362.5000113.8V50 R54 K77 I78 H79 A84 C85V50-L81 HydrophobicContact CG1-CD1 3.62Å; R54-L81 PolarHBondContact NH2-O 2.93Å; K77-L81 HydrophobicContact CG-CD1 4.24Å; K77-L81 WeakPolarHBondContact O-CD1 3.49Å; K77-L81 WeakPolarHBondContact O-CG 3.31Å; K77-L81 PolarHBondContact O-N 3.14Å; I78-L81 CarbonylContact O-C 3.39Å; I78-L81 WeakPolarHBondContact O-CA 3.35Å; I78-L81 PolarHBondContact O-N 3.29Å; H79-L81 VanDerWaalsContact C-N 3.32Å; L81-A84 HydrophobicContact CB-CB 3.98Å; L81-C85 WeakPolarHBondContact O-CB 3.18Å; L81-C85 PolarHBondContact O-N 3.32Å
82E73.5Confident71Confident107 Ų10788.1 Ų88.150%0.549%0.493SS..Hα-helixtrans-75.1-45.3-177-71.9165.8155.700110.9I78 H79 A84 C85 G86I78-E82 HydrophobicContact CG2-CG 3.98Å; I78-E82 WeakPolarHBondContact CG2-OE1 3.42Å; I78-E82 WeakPolarHBondContact CG2-OE2 3.44Å; I78-E82 WeakPolarHBondContact O-CG 3.38Å; I78-E82 PolarHBondContact O-N 3.28Å; H79-E82 IonicContact CD2-OE2 3.82Å; H79-E82 PolarHBondContact O-N 2.71Å; E82-A84 VanDerWaalsContact C-N 3.26Å; E82-A84 PolarHBondContact O-N 2.91Å; E82-C85 PolarHBondContact O-N 2.86Å; E82-G86 PolarHBondContact O-N 2.9Å
83V64.2Low68.4Low112 Ų11287.7 Ų87.768%0.67950%0.499SS*.Hα-helixtrans-60.3-37.6172.7171.90000111H79 S87H79-V83 WeakPolarHBondContact O-CG2 3.28Å; H79-V83 PolarHBondContact O-N 2.75Å; V83-S87 WeakPolarHBondContact O-CB 3.46Å; V83-S87 PolarHBondContact O-N 3.47Å
84A59Low66.1Low38 Ų3894.6 Ų94.631%0.31453%0.529SS..Hα-helixtrans-68.1-50.617200000112K80 L81 E82 S87 M88K80-A84 WeakPolarHBondContact O-CB 3.29Å; K80-A84 PolarHBondContact O-N 3.4Å; L81-A84 HydrophobicContact CB-CB 3.98Å; E82-A84 VanDerWaalsContact C-N 3.26Å; E82-A84 PolarHBondContact O-N 2.91Å; A84-S87 PolarHBondContact O-N 3.46Å; A84-M88 WeakPolarHBondContact O-CB 3.5Å; A84-M88 VanDerWaalsContact O-CG 3.25Å; A84-M88 WeakPolarHBondContact O-CG 3.21Å; A84-M88 PolarHBondContact O-N 3.01Å
85C54.9Low64Low56 Ų56103.9 Ų103.938%0.37857%0.569SS.*Hα-helixtrans-68.2-41.5-172.7-168.90000113.4L81 E82 S87 M88L81-C85 WeakPolarHBondContact O-CB 3.18Å; L81-C85 PolarHBondContact O-N 3.32Å; E82-C85 PolarHBondContact O-N 2.86Å; C85-S87 PolarHBondContact O-N 3.46Å; C85-M88 PolarHBondContact O-N 3.38Å
86G54.1Low61.5Low61 Ų61102.3 Ų102.363%0.62958%0.577SS**Hα-helixtrans-68.5-20.6173.900000113.7E82E82-G86 PolarHBondContact O-N 2.9Å
87S53.3Low59.2Low73 Ų73105.1 Ų105.151%0.5159%0.592SS.*Hα-helixtrans-89.4-34.1174.8-169.50000112.6V83 A84 C85 M89 A90 R91V83-S87 WeakPolarHBondContact O-CB 3.46Å; V83-S87 PolarHBondContact O-N 3.47Å; A84-S87 PolarHBondContact O-N 3.46Å; C85-S87 PolarHBondContact O-N 3.46Å; S87-M89 VanDerWaalsContact C-N 3.3Å; S87-M89 PolarHBondContact O-N 2.95Å; S87-A90 WeakPolarHBondContact O-CB 3.42Å; S87-A90 PolarHBondContact O-N 3Å; S87-R91 PolarHBondContact O-N 2.95Å
88M49.8Very low56.8Low146 Ų146110.1 Ų110.172%0.71962%0.621SS**Hα-helixtrans-66.6-25.7-179.1-78.417571.200113.9A84 C85 A90A84-M88 WeakPolarHBondContact O-CB 3.5Å; A84-M88 VanDerWaalsContact O-CG 3.25Å; A84-M88 WeakPolarHBondContact O-CG 3.21Å; A84-M88 PolarHBondContact O-N 3.01Å; C85-M88 PolarHBondContact O-N 3.38Å; M88-A90 PolarHBondContact O-N 3.04Å
89M50.6Low54.3Low173 Ų173117.9 Ų117.985%0.85266%0.657SS**THydrogen-bonded Turntrans-71.3-15.5170.8-67.3-173.8-179.700113.3S87S87-M89 VanDerWaalsContact C-N 3.3Å; S87-M89 PolarHBondContact O-N 2.95Å
90A56.7Low52.1Low79 Ų79122.8 Ų122.865%0.65368%0.678SS**THydrogen-bonded Turntrans-103.5-21.1-174.200000114.3S87 M88S87-A90 WeakPolarHBondContact O-CB 3.42Å; S87-A90 PolarHBondContact O-N 3Å; M88-A90 PolarHBondContact O-N 3.04Å
91R44.8Very low50.1Low212 Ų212120.8 Ų120.880%0.868%0.684SS**  trans-146113.3178.1-68.7-167.8174.4-159.3-5.1113S87S87-R91 PolarHBondContact O-N 2.95Å
92G36.1Very low48.8Very low86 Ų86126.3 Ų126.389%0.88771%0.708SS**  trans-62.7135.2151.700000109.5
93G39.2Very low47.4Very low65 Ų65131.3 Ų131.367%0.6773%0.729SS**  trans161.490.6-174.900000112K95G93-K95 PolarHBondContact O-N 2.88Å
94H45.3Very low46.3Very low181 Ų181129.6 Ų129.684%0.83873%0.734SS**  trans-59.3133172.3-72.4-109.5000110.2
95K50.1Low45.3Very low194 Ų194138.2 Ų138.284%0.84376%0.758SS**  trans-119.280159.3-74.3-161.9172-168.50109.2G93 N97G93-K95 PolarHBondContact O-N 2.88Å; K95-N97 PolarHBondContact O-N 3.44Å; K95-N97 VanDerWaalsContact O-N 3.14Å
96T40.4Very low44.9Very low120 Ų120141.9 Ų141.974%0.73677%0.773SS**  trans-68.596.3165.746.10000108.9
97N43.7Very low44.2Very low153 Ų153146.4 Ų146.482%0.81878%0.778SS**  trans-91.5118.3159.4-75.214.6000107K95K95-N97 PolarHBondContact O-N 3.44Å; K95-N97 VanDerWaalsContact O-N 3.14Å
98N40.6Very low43.4Very low158 Ų158147 Ų14785%0.84578%0.782SS**  trans-82-168-174.4-154.43.4000110.9
99E38.1Very low43Very low171 Ų171145.7 Ų145.780%0.79979%0.788SS**  trans84.367.3151.2-146.5163.1118.800117.7
100F40.7Very low42.7Very low181 Ų181146.8 Ų146.879%0.79479%0.791SS**  -141.3114.7130-162.2-104.7000110.3E102F100-E102 HydrophobicContact CE1-CB 4.34Å; F100-E102 WeakPolarHBondContact CE1-OE2 3.25Å
101S38.5Very low42.1Very low119 Ų119147.1 Ų147.183%0.83279%0.786SS**  trans-96107.2-176.8-67.20000110.9
102E50.9Low42.2Very low167 Ų167142.2 Ų142.278%0.7878%0.784SS**  trans-131.2155.5165.6-147169.8125.900111.2F100F100-E102 HydrophobicContact CE1-CB 4.34Å; F100-E102 WeakPolarHBondContact CE1-OE2 3.25Å
103K45.3Very low42.4Very low212 Ų212143.8 Ų143.892%0.92277%0.769SS**  trans-113.7143.9-159-62.5174.3-179.6173.90112.6
104G39.3Very low42.5Very low77 Ų77143.6 Ų143.679%0.79476%0.76SS**  trans110.9125.5169.500000112.3
105R38.3Very low42.5Very low219 Ų219139.8 Ų139.883%0.82676%0.761SS**  cis108.4115.512.8-176.3166.8-174.9-179.73.4113.3
106L46.2Very low42.4Very low132 Ų132134.4 Ų134.469%0.69175%0.752SS**  trans68.9149.7174.2-56.5158.5000113.8
107E40.8Very low43.3Very low157 Ų157135.4 Ų135.473%0.73476%0.758SS**  cis-157.2136.7-11.2-117.3-160.673.900108
108S36.7Very low43.7Very low85 Ų85133.7 Ų133.759%0.59476%0.755SS**  103.7150.781.278.50000115.4
109S41.2Very low43.9Very low119 Ų119130.4 Ų130.483%0.83275%0.75SS**  trans82163.4161.2-51.80000121
110Q42.8Very low44.5Very low196 Ų196128.4 Ų128.492%0.91675%0.749SS**  trans-137.7173.6-153.7-83.8-171.2-69.800115.9
111P46Very low44.9Very low86 Ų86124.8 Ų124.856%0.55875%0.746SS**  trans-123.7171.7-160.943.8-33.1000118.6Q25Q25-P111 VanDerWaalsContact NE2-CG 3.26Å
112S47Very low45.7Very low109 Ų109124.8 Ų124.876%0.76274%0.743SS**  trans-163.7134.4166.838.80000110.7
113E39.1Very low45.5Very low119 Ų119123.2 Ų123.256%0.55674%0.74SS**  74.5134.280.8-70.1-144.910100116.2S24S24-E113 WeakPolarHBondContact CA-OE1 3.3Å; S24-E113 WeakPolarHBondContact CB-OE1 3.22Å; S24-E113 PolarHBondContact N-OE1 3.48Å; S24-E113 VanDerWaalsContact O-CG 3.23Å; S24-E113 WeakPolarHBondContact O-CG 3.34Å; S24-E113 PolarHBondContact OG-OE1 3.5Å
114A42.2Very low45.8Very low60 Ų60119.4 Ų119.450%0.49673%0.726SS.*  cis-167.1-172.7-6.300000112.7S24S24-A114 WeakPolarHBondContact OG-CB 3.44Å
115A45.5Very low46.5Very low102 Ų102122.6 Ų122.684%0.84372%0.72SS**  trans71.4158.3159.700000120.4
116A46.3Very low46.8Very low81 Ų81117.7 Ų117.767%0.66971%0.71SS**  cis-171.1141.4-19.300000116.5
117V59.8Low47.3Very low140 Ų140119.4 Ų119.485%0.84872%0.715SS**  trans71178.3139.1-510000122.5
118P52.8Low47.7Very low118 Ų118117.7 Ų117.777%0.76672%0.72SS**  -146-163.7-106.844.5-20.2000119.2
119A44.9Very low48.3Very low88 Ų88117 Ų11773%0.72773%0.726SS**  trans120.7144.8137.800000122
120V50.9Low48.5Very low129 Ų129119.3 Ų119.378%0.78272%0.723SS**  trans63.1121.9158172.60000117.9
121S49.4Very low48.9Very low105 Ų105115.2 Ų115.273%0.73471%0.712SS**  cis88.5153.846.4-63.50000114.8
122P54.8Low49.4Very low119 Ų119116.6 Ų116.677%0.77372%0.719SS**  cis-133.7-143-36.641.8-22.7000113.2
123N46.4Very low49.7Very low135 Ų135117.2 Ų117.272%0.72272%0.72SS**  trans83.4149.3173-88.425.9000120
124E52.1Low50.4Low131 Ų131118.4 Ų118.461%0.61274%0.735SS**  cis-166.5157.6-22.7-128.9-168124.500112.7
125Q52.2Low50.9Low145 Ų145122.4 Ų122.468%0.67875%0.753SS**  trans59.1170.3155.6-65.4-172.830.900118.9
126N46.1Very low51.1Low115 Ų115120.9 Ų120.962%0.61575%0.748SS**  cis-165.9165.6-23.5-108.2-33.9000107.2
127Q55.3Low51.4Low169 Ų169125.1 Ų125.179%0.7976%0.756SS**  cis-166.1-176.7-24.8-142.7-174100.500109.6
128S50.3Low51.2Low120 Ų120126.7 Ų126.784%0.83976%0.759SS**  trans70.9141.9175.3-160.20000116.8
129G49.8Very low51.4Low70 Ų70129 Ų12972%0.72276%0.759SS**  cis177.9-169.23.300000109.4
130H44.8Very low51.9Low169 Ų169134.2 Ų134.278%0.78277%0.765SS**  cis-171.3133.1-15.2-171.570.2000109.9
131V50.3Low52.2Low110 Ų110133.6 Ų133.667%0.66777%0.767SS**  trans52.5162.4164.1-580000121.7
132T57.6Low53.2Low115 Ų115136.2 Ų136.271%0.70677%0.771SS**  cis-163.5151.7-28.331.90000109.2
133P53Low53.4Low122 Ų122135 Ų13579%0.79276%0.763SS**  trans-95.6151.9166.736.7-31.8000113.3
134V54.9Low54.1Low143 Ų143138 Ų13887%0.86777%0.766SS**  trans-129139.6171173.60000109.9
135T52.4Low54.2Low144 Ų144138.4 Ų138.488%0.88377%0.769SS**  trans-114.7136.9-173.7-57.60000111.3
136G48.5Very low54.6Low71 Ų71134.8 Ų134.873%0.73276%0.764SS**  trans126.8112.7153.500000116.4
137M53Low55.4Low170 Ų170137 Ų13784%0.83777%0.773SS**  trans-156.4106.9146.7-90.7-11188.300107.2
138L54.8Low55.9Low173 Ų173134.9 Ų134.991%0.90677%0.774SS**  trans-88.2118.6177-173.978.8000109.3
139Q57.5Low56.7Low167 Ų167135.7 Ų135.778%0.7877%0.774SS**  trans-117.9150.2172.3-71.9-168.9-14.400111.8
140K55.5Low57.1Low196 Ų196137.6 Ų137.685%0.85278%0.776SS**PPolyproline II helixtrans-70.8148.3-156.6-73.584.3171.9-175.20113.3
141S58.3Low57.6Low116 Ų116137.2 Ų137.281%0.81178%0.78SS**PPolyproline II helixtrans-68.2142.3163.743.40000111.1
142I70.2Confident57.5Low160 Ų160136 Ų13682%0.82179%0.789SS**PPolyproline II helixtrans-100.8120.5173.1-57.1173.2000107.7
143P59.4Low56.9Low93 Ų93136.1 Ų136.160%0.60479%0.79SS**PPolyproline II helixtrans-75.6130.1170.831-32000109.6M145P143-M145 HydrophobicContact CB-CE 4.08Å; P143-M145 HydrophobicContact CG-CE 4.04Å
144Y59.4Low56.6Low199 Ų199139.1 Ų139.178%0.7880%0.798SS**PPolyproline II helixtrans-77.7135.5166.395.2-83000108.8A146Y144-A146 HydrophobicContact CE2-CB 4.02Å
145M55Low56.5Low139 Ų139137.8 Ų137.869%0.68579%0.79SS**PPolyproline II helixtrans-84.1126172.9-67.8-66.2123.100109.2P143P143-M145 HydrophobicContact CB-CE 4.08Å; P143-M145 HydrophobicContact CG-CE 4.04Å
146A61.1Low56Low70 Ų70137.3 Ų137.358%0.57979%0.792SS**PPolyproline II helixtrans-85.3133.917200000110Y144Y144-A146 HydrophobicContact CE2-CB 4.02Å
147M63.3Low56.2Low161 Ų161138.2 Ų138.279%0.79379%0.793SS**PPolyproline II helixtrans-89.1122.9-179.9-62.7-64.1171.700110.6T149M147-T149 PolarHBondContact O-N 3.48Å
148P64.3Low55.7Low125 Ų125137.5 Ų137.581%0.81279%0.793SS**  trans-85.2104.7175.632.3-31.6000111
149T66.7Low56Low137 Ų137137.2 Ų137.284%0.8479%0.79SS**  trans-85.3108.4165.847.50000109.7M147 N151M147-T149 PolarHBondContact O-N 3.48Å; T149-N151 PolarHBondContact O-N 3.24Å
150S59.6Low55.7Low109 Ų109134 Ų13476%0.76279%0.787SS**  trans-69118.6174.353.80000111.5
151N55.6Low55.5Low162 Ų162132.8 Ų132.887%0.86678%0.783SS**  trans-172.2111.2142.9-92.8-21.2000108T149T149-N151 PolarHBondContact O-N 3.24Å
152G47.2Very low54.8Low83 Ų83135.7 Ų135.786%0.85678%0.782SS**  trans-96.1113.8-173.600000112.6
153T46Very low53.8Low118 Ų118133.2 Ų133.272%0.72478%0.777SS**  trans-132.194.5165.2-48.90000109.4V155T153-V155 HydrophobicContact CG2-CG1 4.09Å; T153-V155 HydrophobicContact CG2-CG2 4.01Å; T153-V155 PolarHBondContact O-N 3.04Å
154L46.2Very low53.2Low186 Ų186132.4 Ų132.497%0.97477%0.772SS**  trans-8296.3166.2-85168000108.8
155V51.5Low52.8Low115 Ų115130.8 Ų130.870%0.69778%0.776SS**  trans-128.4121.5164.1-68.70000109.5T153T153-V155 HydrophobicContact CG2-CG1 4.09Å; T153-V155 HydrophobicContact CG2-CG2 4.01Å; T153-V155 PolarHBondContact O-N 3.04Å
156S42Very low52.9Low133 Ų133132 Ų13293%0.9379%0.785SS**  trans-76.9121.4169.8-59.70000108.8
157A52.9Low52.9Low90 Ų90134.4 Ų134.474%0.74479%0.789SS**  trans-146.6132.717000000109.4I159A157-I159 PolarHBondContact O-N 3.32Å
158D44.2Very low52.7Low156 Ų156133.1 Ų133.183%0.83479%0.792SS**  trans-67.2126.3-178.5-71.4-84.1000112.7
159I60.1Low52.1Low166 Ų166133 Ų13385%0.85179%0.785SS**  trans-124.193.6148-62.1-175.1000107.6A157 H161A157-I159 PolarHBondContact O-N 3.32Å; I159-H161 PolarHBondContact O-N 3.47Å; I159-H161 VanDerWaalsContact O-N 3.1Å
160S50.4Low51.8Low101 Ų101130.7 Ų130.771%0.70677%0.774SS**  trans-73.894.5177.643.50000111.3
161H51.8Low51.6Low169 Ų169133.8 Ų133.878%0.78277%0.774SS**  trans-123.439.4155.3-135.266.6000112.8I159 C163I159-H161 PolarHBondContact O-N 3.47Å; I159-H161 VanDerWaalsContact O-N 3.1Å; H161-C163 PolarHBondContact O-N 3.08Å
162F44.9Very low51.8Low178 Ų178136.3 Ų136.378%0.78178%0.777SS**  trans-79.598.7163.9-173.1-109.9000108.4P164F162-P164 HydrophobicContact CD1-CB 4.12Å; F162-P164 HydrophobicContact CD1-CG 3.97Å; F162-P164 HydrophobicContact CE1-CB 3.6Å; F162-P164 HydrophobicContact CE1-CG 3.78Å; F162-P164 HydrophobicContact CZ-CB 3.94Å; F162-P164 WeakPolarHBondContact O-CD 3.4Å
163C49.1Very low52.3Low107 Ų107139.9 Ų139.972%0.72377%0.774SS**  trans-98.296.9165.4-71.80000108.6H161H161-C163 PolarHBondContact O-N 3.08Å
164P46.8Very low53.5Low77 Ų77145.3 Ų145.350%0.578%0.781SS.*  trans-86.6172.4-179.836.2-37.5000112.9F162F162-P164 HydrophobicContact CD1-CB 4.12Å; F162-P164 HydrophobicContact CD1-CG 3.97Å; F162-P164 HydrophobicContact CE1-CB 3.6Å; F162-P164 HydrophobicContact CE1-CG 3.78Å; F162-P164 HydrophobicContact CZ-CB 3.94Å; F162-P164 WeakPolarHBondContact O-CD 3.4Å
165L50.9Low55.1Low164 Ų164147.6 Ų147.686%0.85978%0.776SS**  trans75.271.2168-48.1-176.2000116.7
166D57.1Low56.1Low164 Ų164151 Ų15188%0.87778%0.782SS**  trans-118.2138.4152.5-84.5-51.4000109.8
167D59.4Low57.6Low121 Ų121155.7 Ų155.765%0.64778%0.779SS**  trans-40.5151-163.9-70.9-72.4000120.7N169 S170D167-N169 HydrophobicContact CB-CB 4.4Å; D167-N169 PolarHBondContact O-N 2.81Å; D167-S170 PolarHBondContact O-N 3.25Å; D167-S170 PolarHBondContact O-OG 3.04Å
168P60.2Low58.8Low135 Ų135154.3 Ų154.388%0.87777%0.774SS**THydrogen-bonded Turntrans-67.50.4167.331.2-36.1000114.3S170P168-S170 PolarHBondContact O-N 3.4Å
169N52.6Low60.7Low123 Ų123154.1 Ų154.166%0.65877%0.768SS**THydrogen-bonded Turntrans-88.216.8171.6-159.42.2000112.8D167 K171D167-N169 HydrophobicContact CB-CB 4.4Å; D167-N169 PolarHBondContact O-N 2.81Å; N169-K171 PolarHBondContact O-N 3.35Å
170S58.9Low61.8Low87 Ų87152.4 Ų152.461%0.60875%0.752SS**  trans-69.666.5173.245.80000112.5D167 P168 K172D167-S170 PolarHBondContact O-N 3.25Å; D167-S170 PolarHBondContact O-OG 3.04Å; P168-S170 PolarHBondContact O-N 3.4Å; S170-K172 PolarHBondContact O-N 3.38Å
171K55.7Low63.2Low175 Ų175157.6 Ų157.676%0.76176%0.756SS**  trans-46.6119.1162.7-71.5174.8-175.91680107.6N169 M173N169-K171 PolarHBondContact O-N 3.35Å; K171-M173 PolarHBondContact O-N 3Å
172K60.3Low64.9Low215 Ų215158.2 Ų158.294%0.93576%0.756SS**  trans-69.263.3-174.6-67.9179.7178.7175.60112S170 R174S170-K172 PolarHBondContact O-N 3.38Å; K172-R174 PolarHBondContact O-N 3.48Å
173M56.8Low67Low158 Ų158153.7 Ų153.778%0.77874%0.735SS**  trans-67.499.4174177.7160.15900107.6K171 R175K171-M173 PolarHBondContact O-N 3Å; M173-R175 PolarHBondContact O-N 3.28Å
174R71.8Confident68.9Low231 Ų231154.1 Ų154.187%0.87273%0.73SS**  trans-42.4111.1169.8176.5179.1-180137.62.7108.4K172 K176K172-R174 PolarHBondContact O-N 3.48Å; R174-K176 PolarHBondContact O-N 3.31Å; R174-K176 VanDerWaalsContact O-N 3.14Å
175R79.5Confident71Confident234 Ų234159.2 Ų159.288%0.88374%0.744SS**  trans-45124.6177.9-69.1178.2179.1154.2-0.8107.5M173 R177M173-R175 PolarHBondContact O-N 3.28Å; R175-R177 PolarHBondContact O-N 3.06Å
176K73.6Confident73Confident187 Ų187157.4 Ų157.481%0.81374%0.735SS**  trans-53.1140.9-176-74.3-74.5-175174.50108.4R174 G178R174-K176 PolarHBondContact O-N 3.31Å; R174-K176 VanDerWaalsContact O-N 3.14Å; K176-G178 PolarHBondContact O-N 3.31Å
177R73.3Confident74.8Confident231 Ų231150.5 Ų150.587%0.87270%0.701SS**  trans-42.3124.2-177.5-176.4-175.7-173.6-170.94.4109.2R175R175-R177 PolarHBondContact O-N 3.06Å
178G78.4Confident76.4Confident62 Ų62145.8 Ų145.864%0.63968%0.676SS**  trans-54.4161.2-172.900000113.2K176 Y180K176-G178 PolarHBondContact O-N 3.31Å; G178-Y180 PolarHBondContact O-N 3.14Å
179Q84.2Confident78Confident151 Ų151141.4 Ų141.471%0.70665%0.651SS**  trans-39.2122.3-171.2176.452.342.800112.4R181Q179-R181 PolarHBondContact O-N 3.42Å
180Y81.3Confident80Confident130 Ų130139.7 Ų139.751%0.5164%0.641SS.*  trans-58.5132.5178.6-172.5-86.8000109.7G178 K182 Y183G178-Y180 PolarHBondContact O-N 3.14Å; Y180-K182 PolarHBondContact O-N 3.23Å; Y180-Y183 HydrophobicContact CE1-CE1 4.36Å
181R81.2Confident81.8Confident211 Ų211135.6 Ų135.680%0.79661%0.612SS**  trans-54.9105.3177.4-85.2-179.6151155.5-6.9109.5Q179Q179-R181 PolarHBondContact O-N 3.42Å
182K86.8Confident83.6Confident182 Ų182127.2 Ų127.279%0.79158%0.576SS**  trans-69.6137.7171-61.1-178.1-177.7177.70107.8Y180Y180-K182 PolarHBondContact O-N 3.23Å
183Y88.8Confident85.2Confident82 Ų82121.2 Ų121.232%0.32255%0.551SS.*  trans-125.9142.717154.9-99.1000107.8Y180 L188 V211 P212 T215Y180-Y183 HydrophobicContact CE1-CE1 4.36Å; Y183-L188 HydrophobicContact CD2-CB 4.33Å; Y183-L188 HydrophobicContact CD2-CD2 4.43Å; Y183-L188 HydrophobicContact CE2-CD2 3.92Å; Y183-V211 HydrophobicContact CG-CG1 4.46Å; Y183-P212 HydrophobicContact CD1-CG 4.18Å; Y183-P212 HydrophobicContact CE1-CG 4.49Å; Y183-T215 HydrophobicContact CE1-CG2 4.33Å; Y183-T215 HydrophobicContact CE2-CG2 4.39Å
184D90Very high87Confident117 Ų117114.1 Ų114.163%0.62652%0.518SS*.  trans-76.9145.5-176.2-64.5-57.9000112.2N186 A187 L188D184-N186 PolarHBondContact O-N 3.34Å; D184-A187 HydrophobicContact CB-CB 4Å; D184-A187 PolarHBondContact O-N 3.42Å; D184-L188 WeakPolarHBondContact O-CB 3.36Å; D184-L188 PolarHBondContact O-N 3.1Å
185K90.9Very high88.1Confident183 Ų183104.3 Ų104.380%0.79648%0.483SS*.Hα-helixtrans-59.1-34.8175.6-65.5176.9-177.8173.60111.2A189K185-A189 PolarHBondContact O-N 2.97Å
186N92.7Very high88.6Confident126 Ų12697 Ų9767%0.67446%0.455SS*.Hα-helixtrans-74.5-46179.3-61.5-0.7000111D184 L188 A189 L190D184-N186 PolarHBondContact O-N 3.34Å; N186-L188 VanDerWaalsContact C-N 3.31Å; N186-L188 PolarHBondContact O-N 3.35Å; N186-A189 WeakPolarHBondContact O-CA 3.49Å; N186-A189 WeakPolarHBondContact O-CB 3.15Å; N186-A189 PolarHBondContact O-N 2.95Å; N186-L190 WeakPolarHBondContact O-CG 3.3Å; N186-L190 PolarHBondContact O-N 3.44Å
187A93.9Very high89.4Confident19 Ų1995.8 Ų95.816%0.15745%0.446CS..Hα-helixtrans-58.1-41.9173.300000111.8D184 A189 L190 A191D184-A187 HydrophobicContact CB-CB 4Å; D184-A187 PolarHBondContact O-N 3.42Å; A187-A189 VanDerWaalsContact C-N 3.34Å; A187-A189 PolarHBondContact O-N 2.92Å; A187-L190 PolarHBondContact O-N 3.17Å; A187-A191 WeakPolarHBondContact O-CB 3.33Å; A187-A191 PolarHBondContact O-N 3.06Å
188L93.9Very high90.3Very high22 Ų2287.7 Ų87.712%0.11544%0.435CS..Hα-helixtrans-63.9-34.7172.4176.464.4000113.2Y183 D184 N186 V192 V211 T215 L216 K219Y183-L188 HydrophobicContact CD2-CB 4.33Å; Y183-L188 HydrophobicContact CD2-CD2 4.43Å; Y183-L188 HydrophobicContact CE2-CD2 3.92Å; D184-L188 WeakPolarHBondContact O-CB 3.36Å; D184-L188 PolarHBondContact O-N 3.1Å; N186-L188 VanDerWaalsContact C-N 3.31Å; N186-L188 PolarHBondContact O-N 3.35Å; L188-V192 HydrophobicContact CD1-CG2 4.11Å; L188-V192 VanDerWaalsContact O-CG2 3.28Å; L188-V192 WeakPolarHBondContact O-CG2 3.29Å; L188-V192 PolarHBondContact O-N 3.36Å; L188-V211 HydrophobicContact CB-CG2 4.45Å; L188-V211 HydrophobicContact CD1-CG1 3.82Å; L188-T215 HydrophobicContact CD1-CG2 4.18Å; L188-L216 HydrophobicContact CD1-CD2 3.74Å; L188-K219 HydrophobicContact CD1-CB 4.35Å; L188-K219 HydrophobicContact CD1-CG 4.18Å; L188-K219 HydrophobicContact CD2-CG 4.47Å
189A93.5Very high91Very high43 Ų4390.1 Ų90.136%0.35543%0.429SS..Hα-helixtrans-67.6-48.3176.700000111.2K185 N186 A187 Q193K185-A189 PolarHBondContact O-N 2.97Å; N186-A189 WeakPolarHBondContact O-CA 3.49Å; N186-A189 WeakPolarHBondContact O-CB 3.15Å; N186-A189 PolarHBondContact O-N 2.95Å; A187-A189 VanDerWaalsContact C-N 3.34Å; A187-A189 PolarHBondContact O-N 2.92Å; A189-Q193 WeakPolarHBondContact O-CB 3.43Å; A189-Q193 PolarHBondContact O-N 2.78Å
190L94.8Very high91.5Very high88 Ų8884.8 Ų84.846%0.46141%0.405SS..Hα-helixtrans-62.4-49.6177-66.1172.8000111.7N186 A187 V192 Q193 S194 Y209N186-L190 WeakPolarHBondContact O-CG 3.3Å; N186-L190 PolarHBondContact O-N 3.44Å; A187-L190 PolarHBondContact O-N 3.17Å; L190-V192 VanDerWaalsContact C-N 3.32Å; L190-V192 PolarHBondContact O-N 3.5Å; L190-Q193 CarbonylContact O-C 3.59Å; L190-Q193 WeakPolarHBondContact O-CA 3.41Å; L190-Q193 WeakPolarHBondContact O-CB 3.39Å; L190-Q193 PolarHBondContact O-N 3.02Å; L190-S194 PolarHBondContact O-N 3.25Å; L190-Y209 HydrophobicContact CB-CD1 4.23Å; L190-Y209 HydrophobicContact CB-CE1 3.63Å; L190-Y209 HydrophobicContact CD1-CE1 4.22Å
191A95.4Very high92.1Very high0 Ų081.9 Ų81.90%040%0.403CS..Hα-helixtrans-53.3-47.3177.900000112.9A187 Q193 V195 Y209 V211 L216A187-A191 WeakPolarHBondContact O-CB 3.33Å; A187-A191 PolarHBondContact O-N 3.06Å; A191-Q193 VanDerWaalsContact C-N 3.31Å; A191-Q193 PolarHBondContact O-N 2.67Å; A191-V195 VanDerWaalsContact O-CG2 3.25Å; A191-V195 WeakPolarHBondContact O-CG2 3.19Å; A191-V195 PolarHBondContact O-N 3.14Å; A191-V195 VanDerWaalsContact O-N 3.14Å; A191-Y209 VanDerWaalsContact CA-CE2 3.45Å; A191-Y209 HydrophobicContact CB-CD2 3.35Å; A191-Y209 HydrophobicContact CB-CE2 4.01Å; A191-Y209 HydrophobicContact CB-CG 3.73Å; A191-V211 HydrophobicContact CB-CG2 4.35Å; A191-L216 HydrophobicContact CB-CD1 4.08Å; A191-L216 HydrophobicContact CB-CD2 3.53Å; A191-L216 HydrophobicContact CB-CG 4.48Å
192V94.3Very high92.7Very high0 Ų073.4 Ų73.40%038%0.375CS..Hα-helixtrans-70.9-28.8177.5178.30000111.2L188 L190 R196 L216 K219 V220 R223L188-V192 HydrophobicContact CD1-CG2 4.11Å; L188-V192 VanDerWaalsContact O-CG2 3.28Å; L188-V192 WeakPolarHBondContact O-CG2 3.29Å; L188-V192 PolarHBondContact O-N 3.36Å; L190-V192 VanDerWaalsContact C-N 3.32Å; L190-V192 PolarHBondContact O-N 3.5Å; V192-R196 WeakPolarHBondContact O-CB 3.42Å; V192-R196 WeakPolarHBondContact O-CD 3.06Å; V192-R196 WeakPolarHBondContact O-CG 3.3Å; V192-R196 PolarHBondContact O-N 2.7Å; V192-L216 HydrophobicContact CG2-CD2 3.79Å; V192-K219 WeakPolarHBondContact CG1-O 3.19Å; V192-K219 HydrophobicContact CG2-CB 3.73Å; V192-V220 HydrophobicContact CB-CG2 4.44Å; V192-V220 HydrophobicContact CG1-CG2 4.04Å; V192-V220 HydrophobicContact CG2-CG2 4.24Å; V192-R223 VanDerWaalsContact CG1-CZ 3.45Å; V192-R223 VanDerWaalsContact CG1-NH1 3.3Å
193Q93.7Very high93.1Very high88 Ų8870.4 Ų70.441%0.41136%0.364SS..Hα-helixtrans-69.6-49.1174.7-177168.9-1.900112A189 L190 A191 V195 R196 R197A189-Q193 WeakPolarHBondContact O-CB 3.43Å; A189-Q193 PolarHBondContact O-N 2.78Å; L190-Q193 CarbonylContact O-C 3.59Å; L190-Q193 WeakPolarHBondContact O-CA 3.41Å; L190-Q193 WeakPolarHBondContact O-CB 3.39Å; L190-Q193 PolarHBondContact O-N 3.02Å; A191-Q193 VanDerWaalsContact C-N 3.31Å; A191-Q193 PolarHBondContact O-N 2.67Å; Q193-V195 PolarHBondContact O-N 3.02Å; Q193-R196 CarbonylContact O-C 3.55Å; Q193-R196 WeakPolarHBondContact O-CA 3.16Å; Q193-R196 WeakPolarHBondContact O-CB 3.41Å; Q193-R196 PolarHBondContact O-N 2.98Å; Q193-R197 HydrophobicContact CG-CG 4.48Å; Q193-R197 WeakPolarHBondContact O-CG 3.42Å; Q193-R197 PolarHBondContact O-N 2.88Å
194S94.5Very high93.5Very high10 Ų1073 Ų737%0.0738%0.376CS..Hα-helixtrans-66-38.6-179.3-69.60000113L190 R196 R197 G198 E199 Y209L190-S194 PolarHBondContact O-N 3.25Å; S194-R196 PolarHBondContact O-N 3.26Å; S194-R197 PolarHBondContact O-N 3.46Å; S194-G198 PolarHBondContact O-N 3.03Å; S194-E199 WeakPolarHBondContact CA-OE2 3.22Å; S194-E199 WeakPolarHBondContact CB-OE2 3.39Å; S194-E199 PolarHBondContact O-N 2.82Å; S194-E199 PolarHBondContact OG-OE2 2.87Å; S194-Y209 PolarHBondContact OG-OH 3.04Å
195V94.3Very high93.8Very high24 Ų2467.4 Ų67.415%0.14535%0.346CS..Hα-helixtrans-59.8-33.3170.6173.90000112.1A191 Q193 G198 M200 V202 A205 V220A191-V195 VanDerWaalsContact O-CG2 3.25Å; A191-V195 WeakPolarHBondContact O-CG2 3.19Å; A191-V195 PolarHBondContact O-N 3.14Å; A191-V195 VanDerWaalsContact O-N 3.14Å; Q193-V195 PolarHBondContact O-N 3.02Å; V195-G198 PolarHBondContact O-N 3.33Å; V195-M200 WeakPolarHBondContact CA-O 3.37Å; V195-M200 HydrophobicContact CG2-CG 4.3Å; V195-V202 HydrophobicContact CG1-CG2 3.83Å; V195-A205 HydrophobicContact CG2-CB 3.41Å; V195-A205 VanDerWaalsContact CG2-CB 3.41Å; V195-V220 HydrophobicContact CB-CG2 4.13Å; V195-V220 HydrophobicContact CG1-CG1 4.01Å; V195-V220 HydrophobicContact CG1-CG2 3.78Å
196R90.6Very high94Very high80 Ų8058.8 Ų58.830%0.30231%0.31SS..Hα-helixtrans-81.9-25.7178.4-75.2168.3145.2-136.1-16.7114.5V192 Q193 S194 R223 N224V192-R196 WeakPolarHBondContact O-CB 3.42Å; V192-R196 WeakPolarHBondContact O-CD 3.06Å; V192-R196 WeakPolarHBondContact O-CG 3.3Å; V192-R196 PolarHBondContact O-N 2.7Å; Q193-R196 CarbonylContact O-C 3.55Å; Q193-R196 WeakPolarHBondContact O-CA 3.16Å; Q193-R196 WeakPolarHBondContact O-CB 3.41Å; Q193-R196 PolarHBondContact O-N 2.98Å; S194-R196 PolarHBondContact O-N 3.26Å; R196-R223 PolarHBondContact NH2-O 3.03Å; R196-N224 VanDerWaalsContact CZ-OD1 3.26Å; R196-N224 PolarHBondContact NE-OD1 3.36Å; R196-N224 VanDerWaalsContact NH2-N 3.19Å; R196-N224 PolarHBondContact NH2-OD1 3.32Å
197R90.6Very high94.1Very high162 Ų16257.1 Ų57.161%0.61131%0.308SS*.Hα-helixtrans-74-13.8169.2-69.3177.5178-97.812.9112Q193 S194 E199Q193-R197 HydrophobicContact CG-CG 4.48Å; Q193-R197 WeakPolarHBondContact O-CG 3.42Å; Q193-R197 PolarHBondContact O-N 2.88Å; S194-R197 PolarHBondContact O-N 3.46Å; R197-E199 VanDerWaalsContact C-N 3.3Å; R197-E199 HydrophobicContact CB-CG 3.76Å; R197-E199 WeakPolarHBondContact CD-OE1 3.25Å; R197-E199 WeakPolarHBondContact CD-OE2 3.37Å; R197-E199 IonicContact NE-OE1 2.73Å
198G92.7Very high94.2Very high62 Ų6262.9 Ų62.964%0.63933%0.33SS*.THydrogen-bonded Turntrans840.5-173.400000114.1S194 V195 M200S194-G198 PolarHBondContact O-N 3.03Å; V195-G198 PolarHBondContact O-N 3.33Å; G198-M200 PolarHBondContact O-N 3.31Å; G198-M200 VanDerWaalsContact O-N 3.16Å
199E93.5Very high94.2Very high113 Ų11364.2 Ų64.253%0.52833%0.334SS..SBendtrans-62.2-23.4-176.7-66.6167.6167.600113.4S194 R197S194-E199 WeakPolarHBondContact CA-OE2 3.22Å; S194-E199 WeakPolarHBondContact CB-OE2 3.39Å; S194-E199 PolarHBondContact O-N 2.82Å; S194-E199 PolarHBondContact OG-OE2 2.87Å; R197-E199 VanDerWaalsContact C-N 3.3Å; R197-E199 HydrophobicContact CB-CG 3.76Å; R197-E199 WeakPolarHBondContact CD-OE1 3.25Å; R197-E199 WeakPolarHBondContact CD-OE2 3.37Å; R197-E199 IonicContact NE-OE1 2.73Å
200M93Very high94.3Very high39 Ų3964.5 Ų64.519%0.19234%0.34CS..SBendtrans-161.6151-17852.6-179.677.500112.6V195 G198 K204 A205 F208 Y209V195-M200 WeakPolarHBondContact CA-O 3.37Å; V195-M200 HydrophobicContact CG2-CG 4.3Å; G198-M200 PolarHBondContact O-N 3.31Å; G198-M200 VanDerWaalsContact O-N 3.16Å; M200-K204 HydrophobicContact CB-CB 4.31Å; M200-K204 HydrophobicContact CB-CG 4.22Å; M200-A205 HydrophobicContact CG-CB 3.94Å; M200-A205 VanDerWaalsContact SD-CA 3.53Å; M200-A205 HydrophobicContact SD-CB 3.48Å; M200-A205 WeakPolarHBondContact SD-CB 3.35Å; M200-F208 HydrophobicContact CE-CD1 4.33Å; M200-Y209 HydrophobicContact CE-CE2 3.91Å; M200-Y209 HydrophobicContact SD-CD2 4.25Å; M200-Y209 HydrophobicContact SD-CE2 3.61Å
201S95Very high94.2Very high68 Ų6860.4 Ų60.448%0.47632%0.319SS..  trans-71.7158.2172.372.30000112.1H203 K204 A205S201-H203 PolarHBondContact O-N 2.64Å; S201-K204 PolarHBondContact O-N 3.48Å; S201-K204 VanDerWaalsContact O-N 3.11Å; S201-K204 PolarHBondContact OG-N 3.4Å; S201-A205 WeakPolarHBondContact O-CB 3.49Å; S201-A205 PolarHBondContact O-N 3.04Å
202V93.7Very high94.1Very high33 Ų3362 Ų6220%0.233%0.33CS..Hα-helixtrans-51.5-41.7176.71800000112V195 G206 L216 E217V195-V202 HydrophobicContact CG1-CG2 3.83Å; V202-G206 PolarHBondContact O-N 2.87Å; V202-L216 HydrophobicContact CG1-CB 3.81Å; V202-E217 HydrophobicContact CG1-CG 3.76Å
203H95.8Very high94.1Very high120 Ų12065.2 Ų65.256%0.55635%0.345SS*.Hα-helixtrans-64.3-50.7177-62.399.4000112S201 A205 G206 S207 H213S201-H203 PolarHBondContact O-N 2.64Å; H203-A205 VanDerWaalsContact C-N 3.34Å; H203-A205 PolarHBondContact O-N 3.37Å; H203-G206 PolarHBondContact O-N 2.99Å; H203-S207 PolarHBondContact O-N 3.5Å; H203-H213 AromaticContact CD2-CD2 3.61Å; H203-H213 PolarHBondContact O-CE1 2.89Å
204K96.6Very high94Very high135 Ų13565 Ų6559%0.58735%0.352SS*.Hα-helixtrans-61.5-43.1179.2-177.166.1173.2-174.60111.2M200 S201 G206 S207 F208M200-K204 HydrophobicContact CB-CB 4.31Å; M200-K204 HydrophobicContact CB-CG 4.22Å; S201-K204 PolarHBondContact O-N 3.48Å; S201-K204 VanDerWaalsContact O-N 3.11Å; S201-K204 PolarHBondContact OG-N 3.4Å; K204-G206 PolarHBondContact O-N 3.33Å; K204-S207 PolarHBondContact O-N 3.12Å; K204-F208 VanDerWaalsContact O-CB 3.31Å; K204-F208 WeakPolarHBondContact O-CB 3.35Å; K204-F208 PolarHBondContact O-N 3.32Å
205A96Very high93.9Very high0 Ų065.4 Ų65.40%036%0.355CS..Hα-helixtrans-62-40.1176.700000112.9V195 M200 S201 H203 S207 F208 Y209 L216V195-A205 HydrophobicContact CG2-CB 3.41Å; V195-A205 VanDerWaalsContact CG2-CB 3.41Å; M200-A205 HydrophobicContact CG-CB 3.94Å; M200-A205 VanDerWaalsContact SD-CA 3.53Å; M200-A205 HydrophobicContact SD-CB 3.48Å; M200-A205 WeakPolarHBondContact SD-CB 3.35Å; S201-A205 WeakPolarHBondContact O-CB 3.49Å; S201-A205 PolarHBondContact O-N 3.04Å; H203-A205 VanDerWaalsContact C-N 3.34Å; H203-A205 PolarHBondContact O-N 3.37Å; A205-S207 PolarHBondContact O-N 2.96Å; A205-F208 PolarHBondContact O-N 3.09Å; A205-Y209 HydrophobicContact CB-CD2 4.42Å; A205-Y209 WeakPolarHBondContact O-CD2 3.39Å; A205-Y209 PolarHBondContact O-N 2.97Å; A205-L216 HydrophobicContact CB-CD1 3.75Å
206G95Very high93.9Very high3 Ų364.2 Ų64.23%0.03135%0.348CS..Hα-helixtrans-65.2-39.5179.900000112.7V202 H203 K204 G210 V211 L216V202-G206 PolarHBondContact O-N 2.87Å; H203-G206 PolarHBondContact O-N 2.99Å; K204-G206 PolarHBondContact O-N 3.33Å; G206-G210 CarbonylContact O-C 3.4Å; G206-G210 WeakPolarHBondContact O-CA 3.22Å; G206-G210 PolarHBondContact O-N 3.01Å; G206-V211 CarbonylContact C-O 3.55Å; G206-V211 WeakPolarHBondContact CA-O 3.31Å; G206-V211 PolarHBondContact O-N 3.15Å; G206-V211 VanDerWaalsContact O-O 3.08Å; G206-L216 VanDerWaalsContact CA-CD1 3.42Å; G206-L216 VanDerWaalsContact N-CD1 3.27Å
207S95.1Very high94Very high91 Ų9164.6 Ų64.664%0.63635%0.353SS*.Hα-helixtrans-70.2-41.8173-590000112.2H203 K204 A205H203-S207 PolarHBondContact O-N 3.5Å; K204-S207 PolarHBondContact O-N 3.12Å; A205-S207 PolarHBondContact O-N 2.96Å
208F95.3Very high94Very high140 Ų14063 Ų6361%0.61435%0.348SS*.Hα-helixtrans-68.5-42.8-176-171.7-96000113.5M200 K204 A205M200-F208 HydrophobicContact CE-CD1 4.33Å; K204-F208 VanDerWaalsContact O-CB 3.31Å; K204-F208 WeakPolarHBondContact O-CB 3.35Å; K204-F208 PolarHBondContact O-N 3.32Å; A205-F208 PolarHBondContact O-N 3.09Å
209Y95.6Very high93.9Very high50 Ų5063.8 Ų63.820%0.19633%0.333CS..THydrogen-bonded Turntrans-97.27.6-179.4-65.8-75.4000113.8L190 A191 S194 M200 A205 V211L190-Y209 HydrophobicContact CB-CD1 4.23Å; L190-Y209 HydrophobicContact CB-CE1 3.63Å; L190-Y209 HydrophobicContact CD1-CE1 4.22Å; A191-Y209 VanDerWaalsContact CA-CE2 3.45Å; A191-Y209 HydrophobicContact CB-CD2 3.35Å; A191-Y209 HydrophobicContact CB-CE2 4.01Å; A191-Y209 HydrophobicContact CB-CG 3.73Å; S194-Y209 PolarHBondContact OG-OH 3.04Å; M200-Y209 HydrophobicContact CE-CE2 3.91Å; M200-Y209 HydrophobicContact SD-CD2 4.25Å; M200-Y209 HydrophobicContact SD-CE2 3.61Å; A205-Y209 HydrophobicContact CB-CD2 4.42Å; A205-Y209 WeakPolarHBondContact O-CD2 3.39Å; A205-Y209 PolarHBondContact O-N 2.97Å; Y209-V211 PolarHBondContact O-N 3.39Å
210G94.6Very high93.7Very high48 Ų4859.2 Ų59.250%0.49531%0.313SS..THydrogen-bonded Turntrans66.313.3-178.200000115.3G206G206-G210 CarbonylContact O-C 3.4Å; G206-G210 WeakPolarHBondContact O-CA 3.22Å; G206-G210 PolarHBondContact O-N 3.01Å
211V92.9Very high93.3Very high3 Ų364.4 Ų64.42%0.01834%0.335CS..  trans-90.1129.6-175.6-172.10000110.7Y183 L188 A191 G206 Y209 H213 T215 L216Y183-V211 HydrophobicContact CG-CG1 4.46Å; L188-V211 HydrophobicContact CB-CG2 4.45Å; L188-V211 HydrophobicContact CD1-CG1 3.82Å; A191-V211 HydrophobicContact CB-CG2 4.35Å; G206-V211 CarbonylContact C-O 3.55Å; G206-V211 WeakPolarHBondContact CA-O 3.31Å; G206-V211 PolarHBondContact O-N 3.15Å; G206-V211 VanDerWaalsContact O-O 3.08Å; Y209-V211 PolarHBondContact O-N 3.39Å; V211-H213 PolarHBondContact O-N 3.36Å; V211-T215 HydrophobicContact CG1-CG2 4.04Å; V211-L216 HydrophobicContact CB-CD1 4.2Å; V211-L216 HydrophobicContact CB-CD2 4Å; V211-L216 HydrophobicContact CB-CG 3.93Å; V211-L216 HydrophobicContact CG1-CD2 3.66Å; V211-L216 HydrophobicContact CG1-CG 3.7Å; V211-L216 HydrophobicContact CG2-CD2 4.38Å
212P93.9Very high91.8Very high34 Ų3464 Ų6422%0.22133%0.325CS..  trans-54.8133.2175.8-2533.9000112.4Y183 S214 T215 L216Y183-P212 HydrophobicContact CD1-CG 4.18Å; Y183-P212 HydrophobicContact CE1-CG 4.49Å; P212-S214 PolarHBondContact O-N 2.9Å; P212-T215 WeakPolarHBondContact O-CA 3.09Å; P212-T215 VanDerWaalsContact O-CB 3.23Å; P212-T215 WeakPolarHBondContact O-CB 3.13Å; P212-T215 PolarHBondContact O-N 3.47Å; P212-L216 PolarHBondContact O-N 3.23Å
213H93.7Very high90.1Very high67 Ų6765.5 Ų65.531%0.3133%0.327SS..Hα-helixtrans-53.5-48.2-173.6-64.5-5.8000112.9H203 V211 T215 L216 E217H203-H213 AromaticContact CD2-CD2 3.61Å; H203-H213 PolarHBondContact O-CE1 2.89Å; V211-H213 PolarHBondContact O-N 3.36Å; H213-T215 PolarHBondContact O-N 3.48Å; H213-T215 VanDerWaalsContact O-N 3.12Å; H213-L216 CarbonylContact O-C 3.44Å; H213-L216 WeakPolarHBondContact O-CA 3.14Å; H213-L216 WeakPolarHBondContact O-CB 3.26Å; H213-L216 PolarHBondContact O-N 2.97Å; H213-E217 VanDerWaalsContact C-OE1 3.31Å; H213-E217 WeakPolarHBondContact O-CG 3.47Å; H213-E217 PolarHBondContact O-N 3.01Å
214S91.2Very high88.2Confident82 Ų8264 Ų6457%0.57332%0.323SS*.Hα-helixtrans-59.5-25.5176.357.70000114.2P212 E217 Y218P212-S214 PolarHBondContact O-N 2.9Å; S214-E217 WeakPolarHBondContact CA-OE1 3.43Å; S214-E217 PolarHBondContact N-OE1 3.16Å; S214-Y218 WeakPolarHBondContact O-CB 3.32Å; S214-Y218 PolarHBondContact O-N 2.96Å
215T93.7Very high86.2Confident19 Ų1963.7 Ų63.712%0.11733%0.328CS..Hα-helixtrans-74.7-37.3172.5-57.20000111.1Y183 L188 V211 P212 H213 K219Y183-T215 HydrophobicContact CE1-CG2 4.33Å; Y183-T215 HydrophobicContact CE2-CG2 4.39Å; L188-T215 HydrophobicContact CD1-CG2 4.18Å; V211-T215 HydrophobicContact CG1-CG2 4.04Å; P212-T215 WeakPolarHBondContact O-CA 3.09Å; P212-T215 VanDerWaalsContact O-CB 3.23Å; P212-T215 WeakPolarHBondContact O-CB 3.13Å; P212-T215 PolarHBondContact O-N 3.47Å; H213-T215 PolarHBondContact O-N 3.48Å; H213-T215 VanDerWaalsContact O-N 3.12Å; T215-K219 VanDerWaalsContact O-CB 3.31Å; T215-K219 WeakPolarHBondContact O-CB 3.09Å; T215-K219 WeakPolarHBondContact O-CG 3.3Å; T215-K219 PolarHBondContact O-N 3.42Å
216L93.8Very high84.2Confident0 Ų068.8 Ų68.80%036%0.355CS..Hα-helixtrans-73-45.1173.3-67.9-175.5000112.6L188 A191 V192 V202 A205 G206 V211 P212 H213 Y218 K219 V220L188-L216 HydrophobicContact CD1-CD2 3.74Å; A191-L216 HydrophobicContact CB-CD1 4.08Å; A191-L216 HydrophobicContact CB-CD2 3.53Å; A191-L216 HydrophobicContact CB-CG 4.48Å; V192-L216 HydrophobicContact CG2-CD2 3.79Å; V202-L216 HydrophobicContact CG1-CB 3.81Å; A205-L216 HydrophobicContact CB-CD1 3.75Å; G206-L216 VanDerWaalsContact CA-CD1 3.42Å; G206-L216 VanDerWaalsContact N-CD1 3.27Å; V211-L216 HydrophobicContact CB-CD1 4.2Å; V211-L216 HydrophobicContact CB-CD2 4Å; V211-L216 HydrophobicContact CB-CG 3.93Å; V211-L216 HydrophobicContact CG1-CD2 3.66Å; V211-L216 HydrophobicContact CG1-CG 3.7Å; V211-L216 HydrophobicContact CG2-CD2 4.38Å; P212-L216 PolarHBondContact O-N 3.23Å; H213-L216 CarbonylContact O-C 3.44Å; H213-L216 WeakPolarHBondContact O-CA 3.14Å; H213-L216 WeakPolarHBondContact O-CB 3.26Å; H213-L216 PolarHBondContact O-N 2.97Å; L216-Y218 VanDerWaalsContact C-N 3.28Å; L216-Y218 PolarHBondContact O-N 2.94Å; L216-K219 CarbonylContact O-C 3.5Å; L216-K219 PolarHBondContact O-N 3.41Å; L216-K219 VanDerWaalsContact O-N 3.11Å; L216-V220 VanDerWaalsContact O-CB 3.31Å; L216-V220 WeakPolarHBondContact O-CB 3.19Å; L216-V220 WeakPolarHBondContact O-CG2 3.35Å; L216-V220 PolarHBondContact O-N 3.24Å
217E92.1Very high82.2Confident88 Ų8873.8 Ų73.841%0.41137%0.372SS..Hα-helixtrans-50.1-51175.1-69.6164.4-126.400110.9V202 H213 S214 K221V202-E217 HydrophobicContact CG1-CG 3.76Å; H213-E217 VanDerWaalsContact C-OE1 3.31Å; H213-E217 WeakPolarHBondContact O-CG 3.47Å; H213-E217 PolarHBondContact O-N 3.01Å; S214-E217 WeakPolarHBondContact CA-OE1 3.43Å; S214-E217 PolarHBondContact N-OE1 3.16Å; E217-K221 WeakPolarHBondContact O-CB 3.38Å; E217-K221 PolarHBondContact O-N 2.96Å
218Y91.5Very high80.3Confident127 Ų12773 Ų7350%0.49837%0.372SS..Hα-helixtrans-60-54.5174.1-179.1-113.9000111.8S214 L216 V220 K221 E222S214-Y218 WeakPolarHBondContact O-CB 3.32Å; S214-Y218 PolarHBondContact O-N 2.96Å; L216-Y218 VanDerWaalsContact C-N 3.28Å; L216-Y218 PolarHBondContact O-N 2.94Å; Y218-V220 VanDerWaalsContact C-N 3.29Å; Y218-V220 PolarHBondContact O-N 2.76Å; Y218-K221 PolarHBondContact O-N 3.15Å; Y218-E222 HydrophobicContact CD1-CG 4.47Å; Y218-E222 HydrophobicContact CD2-CG 3.49Å; Y218-E222 VanDerWaalsContact CD2-CG 3.49Å; Y218-E222 HydrophobicContact CE1-CG 4.3Å; Y218-E222 HydrophobicContact CE2-CG 3.26Å; Y218-E222 HydrophobicContact CG-CG 4.1Å; Y218-E222 WeakPolarHBondContact O-CB 3.46Å; Y218-E222 VanDerWaalsContact O-CG 3.3Å; Y218-E222 WeakPolarHBondContact O-CG 3.32Å; Y218-E222 PolarHBondContact O-N 2.81Å
219K90.8Very high78.6Confident79 Ų7973.4 Ų73.434%0.34337%0.373SS..Hα-helixtrans-71.3-18.4-174.4-65.6-65.5-178.4-172.20114.6L188 V192 T215 L216 R223L188-K219 HydrophobicContact CD1-CB 4.35Å; L188-K219 HydrophobicContact CD1-CG 4.18Å; L188-K219 HydrophobicContact CD2-CG 4.47Å; V192-K219 WeakPolarHBondContact CG1-O 3.19Å; V192-K219 HydrophobicContact CG2-CB 3.73Å; T215-K219 VanDerWaalsContact O-CB 3.31Å; T215-K219 WeakPolarHBondContact O-CB 3.09Å; T215-K219 WeakPolarHBondContact O-CG 3.3Å; T215-K219 PolarHBondContact O-N 3.42Å; L216-K219 CarbonylContact O-C 3.5Å; L216-K219 PolarHBondContact O-N 3.41Å; L216-K219 VanDerWaalsContact O-N 3.11Å; K219-R223 WeakPolarHBondContact O-CB 3.36Å
220V88.3Confident77Confident18 Ų1877.9 Ų77.911%0.10939%0.393CS..Hα-helixtrans-80.3-53169.6173.20000109.6V192 V195 L216 Y218 R223 N224V192-V220 HydrophobicContact CB-CG2 4.44Å; V192-V220 HydrophobicContact CG1-CG2 4.04Å; V192-V220 HydrophobicContact CG2-CG2 4.24Å; V195-V220 HydrophobicContact CB-CG2 4.13Å; V195-V220 HydrophobicContact CG1-CG1 4.01Å; V195-V220 HydrophobicContact CG1-CG2 3.78Å; L216-V220 VanDerWaalsContact O-CB 3.31Å; L216-V220 WeakPolarHBondContact O-CB 3.19Å; L216-V220 WeakPolarHBondContact O-CG2 3.35Å; L216-V220 PolarHBondContact O-N 3.24Å; Y218-V220 VanDerWaalsContact C-N 3.29Å; Y218-V220 PolarHBondContact O-N 2.76Å; V220-R223 PolarHBondContact O-N 3.48Å; V220-N224 PolarHBondContact O-N 2.67Å; V220-N224 PolarHBondContact O-OD1 2.98Å
221K85.1Confident75.4Confident147 Ų14780.6 Ų80.664%0.63939%0.393SS*.Hα-helixtrans-58.9-58.2-178.5-172.8-178.5-63.1-1770112.1E217 Y218 R223 N224 L225E217-K221 WeakPolarHBondContact O-CB 3.38Å; E217-K221 PolarHBondContact O-N 2.96Å; Y218-K221 PolarHBondContact O-N 3.15Å; K221-R223 VanDerWaalsContact C-N 3.32Å; K221-R223 PolarHBondContact O-N 2.74Å; K221-N224 PolarHBondContact O-N 2.88Å; K221-L225 PolarHBondContact O-N 3.27Å
222E62.2Low73.9Confident60 Ų6083.2 Ų83.228%0.2842%0.415SS..Hα-helixtrans-59.5-42.3-179.1-66-50.4133.900112.3Y218 N224 L225 L226Y218-E222 HydrophobicContact CD1-CG 4.47Å; Y218-E222 HydrophobicContact CD2-CG 3.49Å; Y218-E222 VanDerWaalsContact CD2-CG 3.49Å; Y218-E222 HydrophobicContact CE1-CG 4.3Å; Y218-E222 HydrophobicContact CE2-CG 3.26Å; Y218-E222 HydrophobicContact CG-CG 4.1Å; Y218-E222 WeakPolarHBondContact O-CB 3.46Å; Y218-E222 VanDerWaalsContact O-CG 3.3Å; Y218-E222 WeakPolarHBondContact O-CG 3.32Å; Y218-E222 PolarHBondContact O-N 2.81Å; E222-N224 PolarHBondContact O-N 3.31Å; E222-L225 PolarHBondContact O-N 2.86Å; E222-L226 HydrophobicContact CB-CD1 4.3Å; E222-L226 VanDerWaalsContact O-CB 3.31Å; E222-L226 WeakPolarHBondContact O-CB 3.48Å; E222-L226 VanDerWaalsContact O-CG 3.29Å; E222-L226 WeakPolarHBondContact O-CG 3.33Å; E222-L226 PolarHBondContact O-N 3.16Å
223R58.6Low72.7Confident64 Ų6485.7 Ų85.724%0.24242%0.424CS..Hα-helixtrans-70.2-24-175.8-163.1-171.3-69.2179.51.5111.2V192 R196 K219 V220 K221 R227V192-R223 VanDerWaalsContact CG1-CZ 3.45Å; V192-R223 VanDerWaalsContact CG1-NH1 3.3Å; R196-R223 PolarHBondContact NH2-O 3.03Å; K219-R223 WeakPolarHBondContact O-CB 3.36Å; V220-R223 PolarHBondContact O-N 3.48Å; K221-R223 VanDerWaalsContact C-N 3.32Å; K221-R223 PolarHBondContact O-N 2.74Å; R223-R227 HydrophobicContact CG-CG 4.05Å; R223-R227 WeakPolarHBondContact O-CB 3.27Å; R223-R227 WeakPolarHBondContact O-CG 3.42Å; R223-R227 PolarHBondContact O-N 2.73Å; R223-R227 VanDerWaalsContact O-N 3.17Å
224N55.4Low71.4Confident88 Ų8885.1 Ų85.147%0.47143%0.431SS..Hα-helixtrans-70.4-50.6173.5-68.80.3000110.2R196 V220 K221 E222R196-N224 VanDerWaalsContact CZ-OD1 3.26Å; R196-N224 PolarHBondContact NE-OD1 3.36Å; R196-N224 VanDerWaalsContact NH2-N 3.19Å; R196-N224 PolarHBondContact NH2-OD1 3.32Å; V220-N224 PolarHBondContact O-N 2.67Å; V220-N224 PolarHBondContact O-OD1 2.98Å; K221-N224 PolarHBondContact O-N 2.88Å; E222-N224 PolarHBondContact O-N 3.31Å
225L55.1Low70.5Confident130 Ų13084.7 Ų84.768%0.68143%0.425SS*.Hα-helixtrans-60.5-48.1177.3-175.461.9000112.4K221 E222K221-L225 PolarHBondContact O-N 3.27Å; E222-L225 PolarHBondContact O-N 2.86Å
226L53.9Low69.3Low107 Ų10786.3 Ų86.356%0.5644%0.44SS*.Hα-helixtrans-81.4-17.7-172.9-62.3171.8000114.2E222 K230E222-L226 HydrophobicContact CB-CD1 4.3Å; E222-L226 VanDerWaalsContact O-CB 3.31Å; E222-L226 WeakPolarHBondContact O-CB 3.48Å; E222-L226 VanDerWaalsContact O-CG 3.29Å; E222-L226 WeakPolarHBondContact O-CG 3.33Å; E222-L226 PolarHBondContact O-N 3.16Å; L226-K230 PolarHBondContact O-N 3.12Å; L226-K230 VanDerWaalsContact O-N 3.12Å
227R52.5Low68.3Low108 Ų10891.9 Ų91.941%0.40847%0.47SS..Hα-helixtrans-84.5-23.7176.5-86.8-159.6180-172.1-2.5114.8R223 K229 K230 Q231R223-R227 HydrophobicContact CG-CG 4.05Å; R223-R227 WeakPolarHBondContact O-CB 3.27Å; R223-R227 WeakPolarHBondContact O-CG 3.42Å; R223-R227 PolarHBondContact O-N 2.73Å; R223-R227 VanDerWaalsContact O-N 3.17Å; R227-K229 PolarHBondContact O-N 3.19Å; R227-K230 PolarHBondContact O-N 2.92Å; R227-Q231 HydrophobicContact CB-CG 4.21Å; R227-Q231 HydrophobicContact CG-CG 4.49Å; R227-Q231 WeakPolarHBondContact O-CA 3.47Å; R227-Q231 WeakPolarHBondContact O-CB 3.41Å; R227-Q231 VanDerWaalsContact O-CG 3.29Å; R227-Q231 WeakPolarHBondContact O-CG 3.16Å; R227-Q231 PolarHBondContact O-N 3.39Å
228A55.7Low67.3Low75 Ų7590.7 Ų90.762%0.6248%0.475SS*.Hα-helixtrans-54.5-47.417100000109.8A232A228-A232 WeakPolarHBondContact O-CB 3.41Å; A228-A232 PolarHBondContact O-N 3.17Å; A228-A232 VanDerWaalsContact O-N 3.14Å
229K59.4Low66.2Low147 Ų14791 Ų9164%0.63948%0.479SS*.Hα-helixtrans-63.9-56172-174.4167.3180173.40113R227 Q231 A232 E233R227-K229 PolarHBondContact O-N 3.19Å; K229-Q231 VanDerWaalsContact C-N 3.31Å; K229-Q231 PolarHBondContact O-N 3.02Å; K229-A232 WeakPolarHBondContact O-CB 3.3Å; K229-A232 PolarHBondContact O-N 3.2Å; K229-A232 VanDerWaalsContact O-N 3.14Å; K229-E233 WeakPolarHBondContact CE-OE1 3.31Å; K229-E233 VanDerWaalsContact CG-OE1 3.29Å; K229-E233 WeakPolarHBondContact CG-OE1 3.18Å; K229-E233 WeakPolarHBondContact O-CG 3.21Å; K229-E233 PolarHBondContact O-N 3.41Å
230K62.5Low64.9Low144 Ų14491.4 Ų91.463%0.62649%0.492SS*.Hα-helixtrans-69.1-21.8-175.8-172.2155.8-176.1159.30115.1L226 R227 E233 A234L226-K230 PolarHBondContact O-N 3.12Å; L226-K230 VanDerWaalsContact O-N 3.12Å; R227-K230 PolarHBondContact O-N 2.92Å; K230-E233 WeakPolarHBondContact CA-OE2 3.35Å; K230-A234 WeakPolarHBondContact O-CB 3.29Å; K230-A234 PolarHBondContact O-N 3.22Å
231Q61.2Low63.8Low106 Ų10696.3 Ų96.350%0.49552%0.517SS..Hα-helixtrans-82-31.6172-66.4-178.6-98.300111.5R227 K229 T235R227-Q231 HydrophobicContact CB-CG 4.21Å; R227-Q231 HydrophobicContact CG-CG 4.49Å; R227-Q231 WeakPolarHBondContact O-CA 3.47Å; R227-Q231 WeakPolarHBondContact O-CB 3.41Å; R227-Q231 VanDerWaalsContact O-CG 3.29Å; R227-Q231 WeakPolarHBondContact O-CG 3.16Å; R227-Q231 PolarHBondContact O-N 3.39Å; K229-Q231 VanDerWaalsContact C-N 3.31Å; K229-Q231 PolarHBondContact O-N 3.02Å; Q231-T235 WeakPolarHBondContact O-CB 3.46Å; Q231-T235 VanDerWaalsContact O-CG2 3.3Å; Q231-T235 WeakPolarHBondContact O-CG2 3.29Å; Q231-T235 PolarHBondContact O-N 3.26Å; Q231-T235 PolarHBondContact O-OG1 3.17Å
232A61.9Low62.8Low58 Ų5892.9 Ų92.948%0.47951%0.508SS..Hα-helixtrans-61.9-48.7165.200000110.9A228 K229 A234 T235 A236A228-A232 WeakPolarHBondContact O-CB 3.41Å; A228-A232 PolarHBondContact O-N 3.17Å; A228-A232 VanDerWaalsContact O-N 3.14Å; K229-A232 WeakPolarHBondContact O-CB 3.3Å; K229-A232 PolarHBondContact O-N 3.2Å; K229-A232 VanDerWaalsContact O-N 3.14Å; A232-A234 PolarHBondContact O-N 2.99Å; A232-T235 PolarHBondContact O-N 2.78Å; A232-T235 PolarHBondContact O-OG1 3.49Å; A232-A236 VanDerWaalsContact O-CB 3.25Å; A232-A236 WeakPolarHBondContact O-CB 3.41Å; A232-A236 PolarHBondContact O-N 3.07Å
233E67.3Low62.5Low86 Ų8694.9 Ų94.940%0.40252%0.521SS..Hα-helixtrans-57.8-48.2175.2-67.6164.1177.300112.3K229 K230 A236 N237K229-E233 WeakPolarHBondContact CE-OE1 3.31Å; K229-E233 VanDerWaalsContact CG-OE1 3.29Å; K229-E233 WeakPolarHBondContact CG-OE1 3.18Å; K229-E233 WeakPolarHBondContact O-CG 3.21Å; K229-E233 PolarHBondContact O-N 3.41Å; K230-E233 WeakPolarHBondContact CA-OE2 3.35Å; E233-A236 PolarHBondContact O-N 3.01Å; E233-N237 VanDerWaalsContact O-CG 3.29Å; E233-N237 PolarHBondContact O-N 3.32Å; E233-N237 PolarHBondContact O-OD1 2.87Å
234A67.2Low62.5Low55 Ų5594.7 Ų94.746%0.45554%0.538SS..Hα-helixtrans-68.8-36.8-179.300000113.2K230 A232 A238K230-A234 WeakPolarHBondContact O-CB 3.29Å; K230-A234 PolarHBondContact O-N 3.22Å; A232-A234 PolarHBondContact O-N 2.99Å; A234-A238 WeakPolarHBondContact O-CB 3.25Å; A234-A238 PolarHBondContact O-N 2.94Å
235T71.5Confident62.6Low72 Ų7295.8 Ų95.844%0.44254%0.543SS..Hα-helixtrans-75.8-30.9175.955.30000112.3Q231 A232 K239Q231-T235 WeakPolarHBondContact O-CB 3.46Å; Q231-T235 VanDerWaalsContact O-CG2 3.3Å; Q231-T235 WeakPolarHBondContact O-CG2 3.29Å; Q231-T235 PolarHBondContact O-N 3.26Å; Q231-T235 PolarHBondContact O-OG1 3.17Å; A232-T235 PolarHBondContact O-N 2.78Å; A232-T235 PolarHBondContact O-OG1 3.49Å; T235-K239 VanDerWaalsContact O-CB 3.3Å; T235-K239 WeakPolarHBondContact O-CB 3.43Å; T235-K239 WeakPolarHBondContact O-CD 2.98Å; T235-K239 WeakPolarHBondContact O-CG 3.49Å; T235-K239 PolarHBondContact O-N 3.15Å
236A69.6Low62.6Low53 Ų5393.9 Ų93.944%0.43854%0.537SS..Hα-helixtrans-62.8-48169.700000111A232 E233 A238 K239 S240A232-A236 VanDerWaalsContact O-CB 3.25Å; A232-A236 WeakPolarHBondContact O-CB 3.41Å; A232-A236 PolarHBondContact O-N 3.07Å; E233-A236 PolarHBondContact O-N 3.01Å; A236-A238 PolarHBondContact O-N 3.22Å; A236-K239 PolarHBondContact O-N 2.94Å; A236-S240 WeakPolarHBondContact O-CB 3.43Å; A236-S240 PolarHBondContact O-N 2.83Å
237N72.4Confident62.6Low118 Ų11895.3 Ų95.363%0.63155%0.545SS*.Hα-helixtrans-63.8-40.6177.8-69.5-2.4000112.4E233 S240 L241E233-N237 VanDerWaalsContact O-CG 3.29Å; E233-N237 PolarHBondContact O-N 3.32Å; E233-N237 PolarHBondContact O-OD1 2.87Å; N237-S240 PolarHBondContact O-N 2.72Å; N237-L241 PolarHBondContact O-N 3.37Å
238A70.3Confident62.7Low62 Ų6297.4 Ų97.451%0.51256%0.564SS.*Hα-helixtrans-66.7-39176.100000112.9A234 A236 L241 V242A234-A238 WeakPolarHBondContact O-CB 3.25Å; A234-A238 PolarHBondContact O-N 2.94Å; A236-A238 PolarHBondContact O-N 3.22Å; A238-L241 PolarHBondContact O-N 3.24Å; A238-V242 PolarHBondContact O-N 3.23Å; A238-V242 VanDerWaalsContact O-N 3.08Å
239K68.7Low62.5Low133 Ų13398.7 Ų98.758%0.57857%0.569SS**Hα-helixtrans-67.1-39.4174.5-73.7168.9-178.1-177.50112.1T235 A236 L241 V242 N243T235-K239 VanDerWaalsContact O-CB 3.3Å; T235-K239 WeakPolarHBondContact O-CB 3.43Å; T235-K239 WeakPolarHBondContact O-CD 2.98Å; T235-K239 WeakPolarHBondContact O-CG 3.49Å; T235-K239 PolarHBondContact O-N 3.15Å; A236-K239 PolarHBondContact O-N 2.94Å; K239-L241 VanDerWaalsContact C-N 3.32Å; K239-L241 PolarHBondContact O-N 3.41Å; K239-V242 PolarHBondContact O-N 3.24Å; K239-N243 WeakPolarHBondContact O-CB 3.49Å; K239-N243 PolarHBondContact O-N 2.56Å; K239-N243 PolarHBondContact O-OD1 3.4Å
240S63.6Low62.1Low88 Ų8896.4 Ų96.462%0.61557%0.571SS**Hα-helixtrans-59.4-44.4173.7-169.80000111.2A236 N237 G244A236-S240 WeakPolarHBondContact O-CB 3.43Å; A236-S240 PolarHBondContact O-N 2.83Å; N237-S240 PolarHBondContact O-N 2.72Å; S240-G244 PolarHBondContact O-N 3.4Å; S240-G244 VanDerWaalsContact O-N 3.14Å
241L64.7Low61.8Low122 Ų12296.3 Ų96.364%0.63958%0.576SS**Hα-helixtrans-66.5-43.7179.4-165.570.9000112.9N237 A238 K239 G244 I245N237-L241 PolarHBondContact O-N 3.37Å; A238-L241 PolarHBondContact O-N 3.24Å; K239-L241 VanDerWaalsContact C-N 3.32Å; K239-L241 PolarHBondContact O-N 3.41Å; L241-G244 PolarHBondContact O-N 2.86Å; L241-I245 HydrophobicContact CG-CD1 4.38Å; L241-I245 WeakPolarHBondContact O-CD1 3.23Å; L241-I245 WeakPolarHBondContact O-CG1 3.41Å
242V64.1Low61.3Low75 Ų7598.3 Ų98.346%0.45559%0.59SS.*Hα-helixtrans-69.7-39.8-179.879.60000112A238 K239 G244 I245 T246A238-V242 PolarHBondContact O-N 3.23Å; A238-V242 VanDerWaalsContact O-N 3.08Å; K239-V242 PolarHBondContact O-N 3.24Å; V242-G244 PolarHBondContact O-N 2.89Å; V242-I245 PolarHBondContact O-N 3.38Å; V242-T246 PolarHBondContact O-N 3.01Å
243N57.4Low60.5Low102 Ų102104.8 Ų104.855%0.54561%0.611SS.*Hα-helixtrans-66.7-20.8176-69.416.3000112.8K239 I245 N247K239-N243 WeakPolarHBondContact O-CB 3.49Å; K239-N243 PolarHBondContact O-N 2.56Å; K239-N243 PolarHBondContact O-OD1 3.4Å; N243-I245 VanDerWaalsContact C-N 3.34Å; N243-N247 PolarHBondContact O-ND2 3.43Å
244G57.3Low59.5Low59 Ų59105.6 Ų105.661%0.60863%0.625SS**THydrogen-bonded Turntrans-79.5-12.1172.400000114.5S240 L241 V242S240-G244 PolarHBondContact O-N 3.4Å; S240-G244 VanDerWaalsContact O-N 3.14Å; L241-G244 PolarHBondContact O-N 2.86Å; V242-G244 PolarHBondContact O-N 2.89Å
245I57.9Low58.3Low111 Ų111111.9 Ų111.957%0.56965%0.645SS**THydrogen-bonded Turntrans-102.9-29-176-66.3165.4000111.6L241 V242 N243 N247L241-I245 HydrophobicContact CG-CD1 4.38Å; L241-I245 WeakPolarHBondContact O-CD1 3.23Å; L241-I245 WeakPolarHBondContact O-CG1 3.41Å; V242-I245 PolarHBondContact O-N 3.38Å; N243-I245 VanDerWaalsContact C-N 3.34Å; I245-N247 VanDerWaalsContact C-N 3.35Å; I245-N247 PolarHBondContact O-N 2.7Å
246T56.3Low57.2Low91 Ų91114.5 Ų114.556%0.55866%0.661SS**THydrogen-bonded Turntrans-85.54.9-171.856.70000115.6V242V242-T246 PolarHBondContact O-N 3.01Å
247N53.8Low55.8Low137 Ų137116.4 Ų116.473%0.73368%0.677SS**THydrogen-bonded Turntrans-117.50.2-170.9-70.6-48.8000114.6N243 I245N243-N247 PolarHBondContact O-ND2 3.43Å; I245-N247 VanDerWaalsContact C-N 3.35Å; I245-N247 PolarHBondContact O-N 2.7Å
248D54Low54.9Low152 Ų152118.9 Ų118.981%0.81369%0.689SS**SBendtrans-143.835.7-167.1-149.59.2000111.9
249S51.9Low53.7Low102 Ų102121 Ų12171%0.71370%0.7SS**  trans-131.334.1-173.160.90000113.5
250S49.5Very low53.1Low98 Ų98123.8 Ų123.869%0.68571%0.712SS**  trans-118.9168155.864.30000108.5
251I56.2Low52.2Low143 Ų143124.7 Ų124.773%0.73372%0.718SS**SBendtrans81.788.4-178.3-47.4169.2000114.6
252N51.2Low51.8Low147 Ų147129.7 Ų129.779%0.78673%0.729SS**  trans74.6136.6140.4-54.2-6.7000121.2S254N252-S254 PolarHBondContact O-N 3.33Å
253E44.5Very low51.5Low195 Ų195131.9 Ų131.991%0.91175%0.748SS**  trans-66.4120157-61-174.2123.100110.3
254S47.7Very low51.2Low102 Ų102134.4 Ų134.471%0.71376%0.76SS**  trans179.5120.4137.931.50000113.5N252 V256N252-S254 PolarHBondContact O-N 3.33Å; S254-V256 PolarHBondContact O-N 3.38Å
255H40.9Very low51.1Low188 Ų188141.5 Ų141.587%0.8778%0.775SS**  trans36.877.8135.5-168.1-75.2000118.3
256V48.1Very low51.2Low127 Ų127141.5 Ų141.577%0.7778%0.781SS**  trans-132.9119.1155-1760000109.7S254S254-V256 PolarHBondContact O-N 3.38Å
257A40.7Very low50.9Low93 Ų93143.5 Ų143.577%0.76979%0.793SS**  trans-90.7128.1173.100000110.4
258L53.4Low50.5Low169 Ų169141.2 Ų141.289%0.88579%0.788SS**  trans-119.9122.2164.2-73.2178.5000109.7
259S45.6Very low50.3Low107 Ų107140.9 Ų140.975%0.74879%0.786SS**  trans-101.8133-166.546.60000112.2
260F57.1Low49.9Very low192 Ų192141.7 Ų141.784%0.84278%0.782SS**  trans-138.369.6165-158.8-99.4000112R262F260-R262 PolarHBondContact O-N 3.18Å
261S44.5Very low49.6Very low106 Ų106144.2 Ų144.274%0.74179%0.787SS**  trans-71.9122.7-179.7-51.10000112.2
262R56.8Low49Very low227 Ų227141.9 Ų141.986%0.85779%0.789SS**  trans-154.979.1158.5-113.8161.3-157.2-151.93.1114.8F260F260-R262 PolarHBondContact O-N 3.18Å
263S56.7Low48.8Very low122 Ų122143.6 Ų143.685%0.85379%0.792SS**  trans37.1125.7145.7-144.70000121.3
264L50.3Low49.1Very low155 Ų155142 Ų14281%0.81279%0.788SS**  trans-78.9159.7173.7-55.7166.5000113.1
265K56.5Low49.2Very low208 Ų208142.1 Ų142.190%0.90479%0.789SS**  -150.6124128.5-70.1-156.2179.2-175.20110.9
266P59Low49.6Very low110 Ų110138.5 Ų138.571%0.71478%0.78SS**  trans-101.1-152.2173.139.6-32.9000111.7
267V51.2Low49.6Very low133 Ų133139 Ų13981%0.80678%0.778SS**  trans86.7126.6177.2-1790000113.8
268S45.6Very low50.5Low89 Ų89142.4 Ų142.462%0.62278%0.784SS**  cis-169158.1-8.8-110.90000113.5
269L48.3Very low50.3Low146 Ų146139.3 Ų139.376%0.76477%0.774SS**  trans64.6155.6149.2-61.2167.6000118.2
270D43.6Very low50.5Low119 Ų119142.4 Ų142.464%0.63678%0.781SS**  cis-152.2174.30.2-134.3-27.1000114.8
271L44.7Very low50.2Low151 Ų151142.1 Ų142.179%0.79179%0.786SS**  trans31.1119.8156.4-98.948.2000119.9
272A43.7Very low50.5Low94 Ų94140 Ų14078%0.77778%0.782SS**  cis99.417037.300000115.1
273H45.6Very low50.2Low183 Ų183138.3 Ų138.385%0.84778%0.781SS**  trans91.7152.5172-132.9-110.6000119.5
274I51.6Low50.3Low160 Ų160138.6 Ų138.682%0.82178%0.777SS**  trans69.8129.6178.2-46.5166.4000115
275S48.6Very low50.7Low105 Ų105135.5 Ų135.573%0.73477%0.768SS**  cis-160.6154.4-28.8-172.70000106.9
276T49.7Very low50.9Low113 Ų113129.9 Ų129.969%0.69375%0.751SS**  trans-82.3-178.1164.953.20000111.2
277D48.9Very low51Low136 Ų136131 Ų13173%0.72775%0.751SS**  trans93.394.6161.6-45.1-15.8000115.9
278D58.3Low51.3Low165 Ų165127.9 Ų127.988%0.88274%0.739SS**  -172.4154.3118.8-103.8-28.1000112.5
279P50.5Low52.1Low105 Ų105129.1 Ų129.168%0.68274%0.737SS**  trans-103.6137-165.136.8-32.6000115.3
280L49.4Very low52.7Low172 Ų172128.7 Ų128.790%0.90173%0.731SS**  trans-164.237.1146.9-93.8-150.1000114G282L280-G282 PolarHBondContact O-N 3.44Å
281I51.6Low53.6Low185 Ų185130.8 Ų130.895%0.94974%0.735SS**  trans-83.9100.4165.7-66.3172.9000107.7
282G49Very low54.3Low62 Ų62132.6 Ų132.664%0.63973%0.732SS**SBendtrans-168.5-31.2-177.900000119.1L280L280-G282 PolarHBondContact O-N 3.44Å
283F52.3Low55.2Low192 Ų192133.7 Ų133.784%0.84273%0.729SS**SBendtrans-121.1-24.5-165.9-95.4-92.5000118
284V58.4Low56Low128 Ų128132.3 Ų132.378%0.77673%0.727SS**SBendtrans-85.2-14.5-171.6-86.60000115.7
285S59.3Low56.5Low90 Ų90130.6 Ų130.663%0.62972%0.719SS**Hα-helixtrans-71.7-40.5-175.6-159.30000113.2L287 A288S285-L287 VanDerWaalsContact C-N 3.34Å; S285-L287 PolarHBondContact O-N 2.97Å; S285-A288 PolarHBondContact O-N 3.14Å
286T59.7Low57.1Low89 Ų89134.3 Ų134.355%0.54672%0.723SS.*Hα-helixtrans-68.9-27.8-168.8-40.60000114.1H290T286-H290 PolarHBondContact O-ND1 2.83Å
287L60Low57.6Low134 Ų134134.3 Ų134.370%0.70273%0.725SS**Hα-helixtrans-76.3-31.2-179.3-70.1171.3000112.8S285 I289S285-L287 VanDerWaalsContact C-N 3.34Å; S285-L287 PolarHBondContact O-N 2.97Å; L287-I289 VanDerWaalsContact C-N 3.32Å; L287-I289 PolarHBondContact O-N 3.35Å
288A59.1Low58Low67 Ų67134.1 Ų134.155%0.55473%0.728SS**Hα-helixtrans-67.9-32.3-179.500000112.7S285S285-A288 PolarHBondContact O-N 3.14Å
289I61.2Low58.3Low115 Ų115132.7 Ų132.759%0.5973%0.725SS**Hα-helixtrans-74.5-44.4-176.4-59175.9000111L287 F291 Y292L287-I289 VanDerWaalsContact C-N 3.32Å; L287-I289 PolarHBondContact O-N 3.35Å; I289-F291 VanDerWaalsContact C-N 3.31Å; I289-F291 PolarHBondContact O-N 2.61Å; I289-Y292 PolarHBondContact O-N 3.3Å
290H61.4Low58.6Low137 Ų137133 Ų13363%0.63473%0.729SS**Hα-helixtrans-65.1-31.1-178.9-81.892.7000113.7T286 Y292T286-H290 PolarHBondContact O-ND1 2.83Å; H290-Y292 VanDerWaalsContact C-N 3.32Å; H290-Y292 PolarHBondContact O-N 2.88Å
291F62.2Low59.5Low163 Ų163130.3 Ų130.372%0.71572%0.721SS**Hα-helixtrans-74.6-20.9-178.2-132.8-86.9000113.7I289I289-F291 VanDerWaalsContact C-N 3.31Å; I289-F291 PolarHBondContact O-N 2.61Å
292Y60.6Low60.1Low189 Ų189127.6 Ų127.674%0.74172%0.715SS**Hα-helixtrans-86.4-16.9-175.7-128-86.9000114I289 H290I289-Y292 PolarHBondContact O-N 3.3Å; H290-Y292 VanDerWaalsContact C-N 3.32Å; H290-Y292 PolarHBondContact O-N 2.88Å
293V62.4Low61Low117 Ų117130.3 Ų130.371%0.70973%0.725SS**Hα-helixtrans-86.2-25.5-174.2179.20000112.7L295V293-L295 PolarHBondContact O-N 3.41Å
294L62.3Low61.4Low154 Ų154128.1 Ų128.181%0.80673%0.727SS**THydrogen-bonded Turntrans-86.7-1.6-171-75.3168.5000115.7
295L62Low62Low125 Ų125125.7 Ų125.765%0.65473%0.727SS**THydrogen-bonded Turntrans-111.612.2-167.7-96.4164.3000115.9V293 P297V293-L295 PolarHBondContact O-N 3.41Å; L295-P297 VanDerWaalsContact C-CD 3.45Å
296F60.8Low62.2Low183 Ų183127.1 Ų127.180%0.80374%0.737SS**  trans-12467.7179.2-89.3-84.4000114.9V298F296-V298 PolarHBondContact O-N 3.43Å
297P60.8Low62.2Low113 Ų113138 Ų13873%0.73477%0.769SS**  trans-75.8100.4164.831.4-32.2000111.7L295L295-P297 VanDerWaalsContact C-CD 3.45Å
298V56Low62.3Low131 Ų131138.3 Ų138.379%0.79477%0.772SS**  trans2.5117.7154.5-173.50000117.6F296F296-V298 PolarHBondContact O-N 3.43Å
299V64.7Low62.5Low135 Ų135142 Ų14282%0.81878%0.784SS**  trans-140120.6155.9179.40000109.9
300C58.2Low62.5Low113 Ų113143.5 Ų143.576%0.76479%0.794SS**  trans-120.4132.5176-630000111.2
301P67.3Low62.6Low115 Ų115143.9 Ų143.975%0.74780%0.804SS**  trans-109.2169.3163.341-31.3000110.7
302P65.1Low62.6Low127 Ų127142.7 Ų142.783%0.82581%0.809SS**  -114.9167.5-1068.715.2000114.9
303S66.5Low62.8Low120 Ų120139.6 Ų139.684%0.83981%0.814SS**  trans-70.7143.2175.2-172.10000112.7
304V61.7Low62.8Low145 Ų145141.2 Ų141.288%0.87982%0.821SS**  trans-66.5149.2164.6-129.70000110.5
305G69.6Low62.8Low77 Ų77140.2 Ų140.279%0.79482%0.823SS**  trans-156.9128.217200000109.7
306S64.3Low62.9Low120 Ų120141.5 Ų141.584%0.83984%0.837SS**  trans-114.6139.3-170.9-1770000111.8
307R59.6Low63.1Low319 Ų319137.7 Ų137.7100%1.20484%0.84SS**  trans-164.40156.2-109171.8-164.3-98.40.6110.1

Retrieved 307 of 307 residues in 253.8 ms (Link to these results)