A0A077ZMX2_TRITR Loading...

Queuosine 5'-phosphate N-glycosylase/hydrolase

Catalyzes the hydrolysis of queuosine 5'-phosphate, releasing the nucleobase queuine (q). Is required for salvage of queuine from exogenous queuosine (Q) that is imported and then converted to queuosine 5'-phosphate intracellularly.

AlphaFold DB , UniProt , Accession A0A077ZMX2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 303 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
1M27.4Very low47.4Very low255 Ų255142.2 Ų142.2100%1.25670%0.696SS**  074.20-76.5-167.8171.400110.3
2A31.9Very low50.2Low90 Ų90140.4 Ų140.474%0.74469%0.692SS**  trans-128.3108.7177.500000110.8
3R34.4Very low53.3Low240 Ų240129.6 Ų129.691%0.90664%0.639SS**  trans43.684.6145.3-66.5179.5169.9177.7-3.3118.7
4I39.1Very low56Low87 Ų87126.9 Ų126.945%0.44663%0.628SS.*  trans-133.282.2130.1-57.8-175000107.8R6 W29 E33I4-R6 HydrophobicContact CG2-CB 4Å; I4-R6 HydrophobicContact CG2-CG 4.13Å; I4-R6 PolarHBondContact O-N 3.38Å; I4-W29 HydrophobicContact CD1-CD2 4.31Å; I4-W29 HydrophobicContact CD1-CE3 3.39Å; I4-W29 HydrophobicContact CD1-CH2 4.2Å; I4-W29 HydrophobicContact CD1-CZ3 3.31Å; I4-E33 WeakPolarHBondContact CD1-OE1 3.48Å
5A37.3Very low58.4Low105 Ų105120.2 Ų120.287%0.86859%0.593SS**  trans-8563.816000000107.8
6R48.2Very low60.5Low139 Ų139113.6 Ų113.653%0.52556%0.561SS.*  trans-74.6143.9153.5-89.8-177.2169.9176.8-4.1105.9I4 Y8 E249I4-R6 HydrophobicContact CG2-CB 4Å; I4-R6 HydrophobicContact CG2-CG 4.13Å; I4-R6 PolarHBondContact O-N 3.38Å; R6-Y8 PolarHBondContact O-N 3.09Å; R6-E249 IonicContact NH1-OE1 3.71Å; R6-E249 PolarHBondContact NH1-OE1 3.23Å
7N45.6Very low62.2Low178 Ų178110.1 Ų110.195%0.95255%0.547SS*.  trans-62.177.2171.1-83.2-18.1000109K9N7-K9 PolarHBondContact O-N 2.85Å
8Y55.1Low63.9Low72 Ų72110.9 Ų110.928%0.28255%0.554SS.*  trans-72.3110.9177.2-176.3-106.7000106.9R6 K10 W11 D23 E25 C26R6-Y8 PolarHBondContact O-N 3.09Å; Y8-K10 PolarHBondContact O-N 3.44Å; Y8-W11 AromaticContact CZ-CD1 3.9Å; Y8-W11 PolarHBondContact OH-NE1 3.29Å; Y8-W11 VanDerWaalsContact OH-NE1 3.13Å; Y8-D23 WeakPolarHBondContact CE1-OD2 3.3Å; Y8-D23 VanDerWaalsContact CZ-OD1 3.27Å; Y8-D23 PolarHBondContact OH-OD1 3.41Å; Y8-D23 PolarHBondContact OH-OD2 2.84Å; Y8-E25 HydrophobicContact CE2-CB 3.8Å; Y8-E25 HydrophobicContact CE2-CG 3.74Å; Y8-E25 WeakPolarHBondContact CE2-OE2 3.37Å; Y8-C26 WeakPolarHBondContact CE1-SG 3.37Å
9K61.7Low65.3Low188 Ų188110.1 Ų110.182%0.81755%0.552SS**  trans-70.7101.8168.3-172.6179.9179.4-175.40106N7 W11N7-K9 PolarHBondContact O-N 2.85Å; K9-W11 PolarHBondContact O-N 2.73Å
10K65.1Low66.4Low125 Ų125108.1 Ų108.154%0.54356%0.56SS.*  trans-49134.2177.1-169-179.1177.7-168.80109.5Y8 D12 T17Y8-K10 PolarHBondContact O-N 3.44Å; K10-D12 PolarHBondContact O-N 2.79Å; K10-T17 VanDerWaalsContact CE-OG1 3.22Å; K10-T17 WeakPolarHBondContact CE-OG1 3.41Å; K10-T17 PolarHBondContact NZ-OG1 3.07Å; K10-T17 VanDerWaalsContact NZ-OG1 3.12Å
11W76Confident67.5Low85 Ų85104.5 Ų104.532%0.32254%0.542SS..  trans-62.6122.1171.4-77.139000108.3Y8 K9 C13 D23 P24 L203 L206Y8-W11 AromaticContact CZ-CD1 3.9Å; Y8-W11 PolarHBondContact OH-NE1 3.29Å; Y8-W11 VanDerWaalsContact OH-NE1 3.13Å; K9-W11 PolarHBondContact O-N 2.73Å; W11-C13 PolarHBondContact O-N 2.99Å; W11-D23 HydrophobicContact CB-CB 4.03Å; W11-D23 HydrophobicContact CD2-CB 4.37Å; W11-D23 HydrophobicContact CG-CB 3.93Å; W11-P24 HydrophobicContact CH2-CG 4.23Å; W11-P24 HydrophobicContact CZ3-CG 4.26Å; W11-L203 HydrophobicContact CB-CD2 4.49Å; W11-L203 HydrophobicContact CD2-CD2 3.97Å; W11-L203 HydrophobicContact CE3-CD2 3.3Å; W11-L203 HydrophobicContact CG-CD2 4.47Å; W11-L203 HydrophobicContact CZ3-CD2 3.78Å; W11-L206 HydrophobicContact CE3-CD2 4.11Å; W11-L206 HydrophobicContact CZ3-CD2 3.98Å
12D81.1Confident70.3Confident121 Ų12196.6 Ų96.665%0.64750%0.504SS*.  trans-79.358.1175.7-16021.2000110.4K10 L203K10-D12 PolarHBondContact O-N 2.79Å; D12-L203 HydrophobicContact CB-CD1 4.01Å; D12-L203 WeakPolarHBondContact O-CB 3.38Å
13C89.5Confident72.8Confident0 Ų093 Ų930%047%0.472CS..  trans-106.8110173.8-178.10000108.3W11 Y15 L16 T17W11-C13 PolarHBondContact O-N 2.99Å; C13-Y15 VanDerWaalsContact C-N 3.35Å; C13-Y15 PolarHBondContact O-N 3.39Å; C13-L16 HydrophobicContact CB-CB 4.25Å; C13-L16 HydrophobicContact CB-CD1 3.98Å; C13-L16 HydrophobicContact CB-CG 4.13Å; C13-L16 PolarHBondContact O-N 3.36Å; C13-T17 PolarHBondContact O-N 3.08Å; C13-T17 PolarHBondContact O-OG1 3.16Å
14D91.4Very high75.2Confident91 Ų9184.4 Ų84.449%0.48745%0.447SS..Hα-helixtrans-56.9-46.4-176.3-72.8-26000111.8L16 T17 N18D14-L16 PolarHBondContact O-N 3.17Å; D14-T17 PolarHBondContact O-N 3.03Å; D14-N18 WeakPolarHBondContact O-CB 3.19Å; D14-N18 PolarHBondContact O-N 3.05Å; D14-N18 PolarHBondContact O-ND2 3.06Å; D14-N18 VanDerWaalsContact O-ND2 3.15Å
15Y92.6Very high77.3Confident27 Ų2782.4 Ų82.411%0.10644%0.436CS..Hα-helixtrans-56.7-47.6178.9-175.4-87000112.3C13 N19 I21 S207 L210 E211 R217C13-Y15 VanDerWaalsContact C-N 3.35Å; C13-Y15 PolarHBondContact O-N 3.39Å; Y15-N19 WeakPolarHBondContact O-CB 3.5Å; Y15-N19 PolarHBondContact O-N 3.07Å; Y15-N19 PolarHBondContact O-ND2 3.32Å; Y15-I21 HydrophobicContact CD1-CD1 4.26Å; Y15-I21 HydrophobicContact CE1-CD1 3.68Å; Y15-S207 WeakPolarHBondContact CB-OG 3.43Å; Y15-S207 PolarHBondContact N-OG 2.82Å; Y15-L210 HydrophobicContact CD1-CB 3.46Å; Y15-L210 VanDerWaalsContact CD1-CB 3.46Å; Y15-L210 HydrophobicContact CD1-CD1 3.61Å; Y15-L210 HydrophobicContact CD1-CG 4.13Å; Y15-L210 HydrophobicContact CD2-CB 4.1Å; Y15-L210 HydrophobicContact CE1-CB 3.72Å; Y15-L210 HydrophobicContact CE1-CD1 4.22Å; Y15-L210 HydrophobicContact CE1-CG 4.44Å; Y15-L210 HydrophobicContact CE2-CB 4.3Å; Y15-L210 HydrophobicContact CG-CB 3.66Å; Y15-L210 HydrophobicContact CG-CD1 4.29Å; Y15-E211 HydrophobicContact CD2-CB 4.4Å; Y15-E211 HydrophobicContact CD2-CG 3.54Å; Y15-E211 HydrophobicContact CE2-CG 4.29Å; Y15-E211 HydrophobicContact CG-CG 4.37Å; Y15-R217 VanDerWaalsContact OH-CD 3.28Å; Y15-R217 WeakPolarHBondContact OH-CD 3.46Å; Y15-R217 PolarHBondContact OH-NE 3.34Å
16L91.8Very high79.6Confident15 Ų1579 Ų798%0.07941%0.406CS..Hα-helixtrans-65.6-47.1-179.4-64178.6000111C13 D14 N19 G20 I21 D23 L206 L210C13-L16 HydrophobicContact CB-CB 4.25Å; C13-L16 HydrophobicContact CB-CD1 3.98Å; C13-L16 HydrophobicContact CB-CG 4.13Å; C13-L16 PolarHBondContact O-N 3.36Å; D14-L16 PolarHBondContact O-N 3.17Å; L16-N19 PolarHBondContact O-N 3.38Å; L16-G20 PolarHBondContact O-N 2.82Å; L16-G20 VanDerWaalsContact O-N 3.14Å; L16-I21 HydrophobicContact CB-CB 4.48Å; L16-I21 HydrophobicContact CD2-CB 3.8Å; L16-I21 HydrophobicContact CD2-CD1 4.46Å; L16-I21 HydrophobicContact CD2-CG2 3.59Å; L16-I21 PolarHBondContact O-N 3.07Å; L16-D23 HydrophobicContact CD1-CB 4.34Å; L16-L206 HydrophobicContact CD1-CD2 4.25Å; L16-L210 HydrophobicContact CD2-CD1 3.73Å; L16-L210 HydrophobicContact CG-CD1 4.11Å
17T90.1Very high81.3Confident53 Ų5374.4 Ų74.433%0.32540%0.395SS..Hα-helixtrans-62.2-46.5-179.4-70.40000112.1K10 C13 D14 N19 G20K10-T17 VanDerWaalsContact CE-OG1 3.22Å; K10-T17 WeakPolarHBondContact CE-OG1 3.41Å; K10-T17 PolarHBondContact NZ-OG1 3.07Å; K10-T17 VanDerWaalsContact NZ-OG1 3.12Å; C13-T17 PolarHBondContact O-N 3.08Å; C13-T17 PolarHBondContact O-OG1 3.16Å; D14-T17 PolarHBondContact O-N 3.03Å; T17-N19 VanDerWaalsContact C-N 3.29Å; T17-N19 PolarHBondContact O-N 2.73Å; T17-G20 PolarHBondContact O-N 2.87Å
18N92.1Very high83.2Confident126 Ų12667.1 Ų67.167%0.67436%0.357SS*.Hα-helixtrans-70.3-26.3-175.7-68.2-23.7000112.9D14D14-N18 WeakPolarHBondContact O-CB 3.19Å; D14-N18 PolarHBondContact O-N 3.05Å; D14-N18 PolarHBondContact O-ND2 3.06Å; D14-N18 VanDerWaalsContact O-ND2 3.15Å
19N90.8Very high84.7Confident94 Ų9465.8 Ų65.850%0.50335%0.352SS..THydrogen-bonded Turntrans-99.55.6178.9-66.7-81.3000113.2Y15 L16 T17 I21Y15-N19 WeakPolarHBondContact O-CB 3.5Å; Y15-N19 PolarHBondContact O-N 3.07Å; Y15-N19 PolarHBondContact O-ND2 3.32Å; L16-N19 PolarHBondContact O-N 3.38Å; T17-N19 VanDerWaalsContact C-N 3.29Å; T17-N19 PolarHBondContact O-N 2.73Å; N19-I21 HydrophobicContact CB-CD1 3.79Å; N19-I21 HydrophobicContact CB-CG1 3.87Å; N19-I21 PolarHBondContact O-N 3.27Å
20G87.8Confident85.9Confident70 Ų7059.8 Ų59.872%0.72233%0.328SS*.THydrogen-bonded Turntrans63.225.1-178.600000113.8L16 T17L16-G20 PolarHBondContact O-N 2.82Å; L16-G20 VanDerWaalsContact O-N 3.14Å; T17-G20 PolarHBondContact O-N 2.87Å
21I87.8Confident86.8Confident33 Ų3354.9 Ų54.917%0.16931%0.308CS..PPolyproline II helixtrans-87132.8-179.6-57.3171.7000108.5Y15 L16 N19 H219Y15-I21 HydrophobicContact CD1-CD1 4.26Å; Y15-I21 HydrophobicContact CE1-CD1 3.68Å; L16-I21 HydrophobicContact CB-CB 4.48Å; L16-I21 HydrophobicContact CD2-CB 3.8Å; L16-I21 HydrophobicContact CD2-CD1 4.46Å; L16-I21 HydrophobicContact CD2-CG2 3.59Å; L16-I21 PolarHBondContact O-N 3.07Å; N19-I21 HydrophobicContact CB-CD1 3.79Å; N19-I21 HydrophobicContact CB-CG1 3.87Å; N19-I21 PolarHBondContact O-N 3.27Å; I21-H219 HydrophobicContact CG2-CB 4.38Å
22L86.2Confident87.4Confident89 Ų8951.3 Ų51.347%0.46630%0.296SS..PPolyproline II helixtrans-67.5137.7175.5-64.2174.9000110.6C26 I30L22-C26 HydrophobicContact CD2-CB 4.47Å; L22-I30 HydrophobicContact CD1-CD1 3.6Å
23D86.3Confident87.6Confident14 Ų1450.6 Ų50.68%0.07529%0.289CS..PPolyproline II helixtrans-67.4165.1172.764.477.7000112.3Y8 W11 L16 E25 C26 S27Y8-D23 WeakPolarHBondContact CE1-OD2 3.3Å; Y8-D23 VanDerWaalsContact CZ-OD1 3.27Å; Y8-D23 PolarHBondContact OH-OD1 3.41Å; Y8-D23 PolarHBondContact OH-OD2 2.84Å; W11-D23 HydrophobicContact CB-CB 4.03Å; W11-D23 HydrophobicContact CD2-CB 4.37Å; W11-D23 HydrophobicContact CG-CB 3.93Å; L16-D23 HydrophobicContact CD1-CB 4.34Å; D23-E25 VanDerWaalsContact C-N 3.25Å; D23-E25 PolarHBondContact O-N 3.09Å; D23-E25 PolarHBondContact OD1-N 3.46Å; D23-C26 PolarHBondContact O-N 3.08Å; D23-C26 PolarHBondContact OD1-N 3.19Å; D23-C26 PolarHBondContact OD2-SG 3.37Å; D23-S27 WeakPolarHBondContact O-CB 3.21Å; D23-S27 PolarHBondContact O-N 2.96Å; D23-S27 PolarHBondContact O-OG 2.97Å
24P83.4Confident87.4Confident60 Ų6052.2 Ų52.239%0.3930%0.302SS..Hα-helixtrans-59.2-30.7-176.7-2837000114.9W11 S27 T28W11-P24 HydrophobicContact CH2-CG 4.23Å; W11-P24 HydrophobicContact CZ3-CG 4.26Å; P24-S27 WeakPolarHBondContact CA-OG 3.32Å; P24-S27 PolarHBondContact O-OG 3.25Å; P24-T28 WeakPolarHBondContact O-CB 3.27Å; P24-T28 PolarHBondContact O-N 3.17Å; P24-T28 VanDerWaalsContact O-N 3.14Å; P24-T28 PolarHBondContact O-OG1 3.08Å
25E83Confident87.1Confident45 Ų4549 Ų4921%0.2129%0.289CS..Hα-helixtrans-78.8-48.6-177.9-173.6161.6-158.100110.6Y8 D23 S27 T28 W29 R270Y8-E25 HydrophobicContact CE2-CB 3.8Å; Y8-E25 HydrophobicContact CE2-CG 3.74Å; Y8-E25 WeakPolarHBondContact CE2-OE2 3.37Å; D23-E25 VanDerWaalsContact C-N 3.25Å; D23-E25 PolarHBondContact O-N 3.09Å; D23-E25 PolarHBondContact OD1-N 3.46Å; E25-S27 PolarHBondContact O-N 2.93Å; E25-T28 WeakPolarHBondContact O-CB 3.34Å; E25-T28 PolarHBondContact O-N 3.36Å; E25-W29 VanDerWaalsContact O-CD1 3.32Å; E25-W29 PolarHBondContact O-N 3.36Å; E25-R270 IonicContact OE1-CZ 2.74Å; E25-R270 IonicContact OE1-NH1 3.96Å; E25-R270 IonicContact OE1-NH2 3.76Å; E25-R270 PolarHBondContact OE1-NH2 3.4Å
26C85.3Confident86.7Confident35 Ų3555.8 Ų55.824%0.23631%0.314CS..Hα-helixtrans-59.7-45.4174.6-73.10000112.1Y8 L22 D23 W29 I30Y8-C26 WeakPolarHBondContact CE1-SG 3.37Å; L22-C26 HydrophobicContact CD2-CB 4.47Å; D23-C26 PolarHBondContact O-N 3.08Å; D23-C26 PolarHBondContact OD1-N 3.19Å; D23-C26 PolarHBondContact OD2-SG 3.37Å; C26-W29 PolarHBondContact O-N 3.1Å; C26-I30 WeakPolarHBondContact O-CG1 3.1Å; C26-I30 PolarHBondContact O-N 3.36Å
27S85.1Confident86.2Confident41 Ų4160.2 Ų60.229%0.28733%0.334SS..Hα-helixtrans-64.6-42.4179.6580000111.8D23 P24 E25 W29 I30 V31D23-S27 WeakPolarHBondContact O-CB 3.21Å; D23-S27 PolarHBondContact O-N 2.96Å; D23-S27 PolarHBondContact O-OG 2.97Å; P24-S27 WeakPolarHBondContact CA-OG 3.32Å; P24-S27 PolarHBondContact O-OG 3.25Å; E25-S27 PolarHBondContact O-N 2.93Å; S27-W29 VanDerWaalsContact C-N 3.31Å; S27-W29 PolarHBondContact O-N 3.36Å; S27-I30 PolarHBondContact O-N 3.5Å; S27-V31 WeakPolarHBondContact O-CG2 3.42Å; S27-V31 PolarHBondContact O-N 3.29Å
28T85.7Confident86Confident26 Ų2658.9 Ų58.916%0.1633%0.329CS..Hα-helixtrans-55.5-45.5173-70.10000111.7P24 E25 A32 A242 N245P24-T28 WeakPolarHBondContact O-CB 3.27Å; P24-T28 PolarHBondContact O-N 3.17Å; P24-T28 VanDerWaalsContact O-N 3.14Å; P24-T28 PolarHBondContact O-OG1 3.08Å; E25-T28 WeakPolarHBondContact O-CB 3.34Å; E25-T28 PolarHBondContact O-N 3.36Å; T28-A32 WeakPolarHBondContact O-CB 3.42Å; T28-A32 PolarHBondContact O-N 2.96Å; T28-A242 HydrophobicContact CG2-CB 4.39Å; T28-A242 WeakPolarHBondContact CG2-O 3.4Å; T28-N245 HydrophobicContact CG2-CB 3.55Å
29W86Confident85.8Confident44 Ų4460.8 Ų60.817%0.16733%0.334CS..Hα-helixtrans-63.7-47.3179.4-91.292.3000112.5I4 E25 C26 S27 V31 A32 E33 K246 E249I4-W29 HydrophobicContact CD1-CD2 4.31Å; I4-W29 HydrophobicContact CD1-CE3 3.39Å; I4-W29 HydrophobicContact CD1-CH2 4.2Å; I4-W29 HydrophobicContact CD1-CZ3 3.31Å; E25-W29 VanDerWaalsContact O-CD1 3.32Å; E25-W29 PolarHBondContact O-N 3.36Å; C26-W29 PolarHBondContact O-N 3.1Å; S27-W29 VanDerWaalsContact C-N 3.31Å; S27-W29 PolarHBondContact O-N 3.36Å; W29-V31 PolarHBondContact O-N 3.44Å; W29-A32 PolarHBondContact O-N 2.78Å; W29-E33 HydrophobicContact CE3-CG 4.48Å; W29-E33 WeakPolarHBondContact O-CB 3.26Å; W29-E33 WeakPolarHBondContact O-CG 3.45Å; W29-E33 PolarHBondContact O-N 3.14Å; W29-K246 HydrophobicContact CD2-CD 4.44Å; W29-K246 HydrophobicContact CE3-CD 4.07Å; W29-K246 HydrophobicContact CH2-CD 4.27Å; W29-K246 HydrophobicContact CH2-CG 4.24Å; W29-K246 HydrophobicContact CZ2-CG 4.25Å; W29-K246 HydrophobicContact CZ3-CD 4Å; W29-K246 HydrophobicContact CZ3-CG 4.47Å; W29-E249 WeakPolarHBondContact CZ2-OE1 3.39Å; W29-E249 PolarHBondContact NE1-OE2 3.45Å
30I86.1Confident85.8Confident62 Ų6258 Ų5832%0.31832%0.319SS..Hα-helixtrans-61.3-45.9179.3-69.8175.8000111.1L22 C26 S27 E33 A34 Y222L22-I30 HydrophobicContact CD1-CD1 3.6Å; C26-I30 WeakPolarHBondContact O-CG1 3.1Å; C26-I30 PolarHBondContact O-N 3.36Å; S27-I30 PolarHBondContact O-N 3.5Å; I30-E33 PolarHBondContact O-N 3.11Å; I30-A34 WeakPolarHBondContact O-CB 3.35Å; I30-A34 PolarHBondContact O-N 2.95Å; I30-A34 VanDerWaalsContact O-N 3.1Å; I30-Y222 HydrophobicContact CG2-CD1 3.52Å; I30-Y222 HydrophobicContact CG2-CE1 3.58Å; I30-Y222 HydrophobicContact CG2-CG 4.19Å
31V85.4Confident86Confident22 Ų2257.5 Ų57.513%0.13330%0.303CS..Hα-helixtrans-64.2-43.7178.2174.20000110.8S27 W29 E33 A34 A35 V238 E239 A242S27-V31 WeakPolarHBondContact O-CG2 3.42Å; S27-V31 PolarHBondContact O-N 3.29Å; W29-V31 PolarHBondContact O-N 3.44Å; V31-E33 VanDerWaalsContact C-N 3.33Å; V31-E33 PolarHBondContact O-N 3.01Å; V31-A34 CarbonylContact O-C 3.58Å; V31-A34 PolarHBondContact O-N 2.82Å; V31-A35 PolarHBondContact O-N 2.84Å; V31-V238 HydrophobicContact CG1-CG1 4.3Å; V31-E239 HydrophobicContact CG1-CG 4.42Å; V31-A242 HydrophobicContact CB-CB 3.77Å; V31-A242 HydrophobicContact CG1-CB 3.52Å
32A87.4Confident86.2Confident9 Ų961 Ų617%0.07432%0.32CS..Hα-helixtrans-67.8-31.4-179.700000113.1T28 W29 A242 L243 K246T28-A32 WeakPolarHBondContact O-CB 3.42Å; T28-A32 PolarHBondContact O-N 2.96Å; W29-A32 PolarHBondContact O-N 2.78Å; A32-A242 HydrophobicContact CB-CB 4.05Å; A32-L243 HydrophobicContact CB-CD2 4.09Å; A32-L243 HydrophobicContact CB-CG 4.47Å; A32-K246 HydrophobicContact CB-CB 4.15Å; A32-K246 HydrophobicContact CB-CD 3.55Å
33E86.6Confident86.6Confident107 Ų10763.8 Ų63.850%0.533%0.33SS..Hα-helixtrans-74.6-28.5174.9-75.5-175.6171.600113.4I4 W29 I30 V31 K246I4-E33 WeakPolarHBondContact CD1-OE1 3.48Å; W29-E33 HydrophobicContact CE3-CG 4.48Å; W29-E33 WeakPolarHBondContact O-CB 3.26Å; W29-E33 WeakPolarHBondContact O-CG 3.45Å; W29-E33 PolarHBondContact O-N 3.14Å; I30-E33 PolarHBondContact O-N 3.11Å; V31-E33 VanDerWaalsContact C-N 3.33Å; V31-E33 PolarHBondContact O-N 3.01Å; E33-K246 IonicContact OE1-NZ 2.74Å
34A85.5Confident87Confident33 Ų3368.8 Ų68.827%0.27335%0.351SS..Hα-helixtrans-99.73.3-179.900000114.2I30 V31 R36 Y222I30-A34 WeakPolarHBondContact O-CB 3.35Å; I30-A34 PolarHBondContact O-N 2.95Å; I30-A34 VanDerWaalsContact O-N 3.1Å; V31-A34 CarbonylContact O-C 3.58Å; V31-A34 PolarHBondContact O-N 2.82Å; A34-R36 WeakPolarHBondContact O-CG 3.21Å; A34-Y222 HydrophobicContact CB-CE1 4.44Å; A34-Y222 WeakPolarHBondContact CB-OH 3.36Å
35A84.8Confident87.6Confident24 Ų2466.7 Ų66.720%0.19834%0.336CS..  trans-56.3137.1177.700000111V31 E239 L243V31-A35 PolarHBondContact O-N 2.84Å; A35-E239 HydrophobicContact CB-CB 4.03Å; A35-E239 HydrophobicContact CB-CG 3.95Å; A35-L243 HydrophobicContact CB-CD1 4.02Å; A35-L243 HydrophobicContact CB-CD2 4.32Å; A35-L243 HydrophobicContact CB-CG 4.29Å
36R83.7Confident88.2Confident170 Ų17068.1 Ų68.164%0.64235%0.345SS*.SBendtrans-117.6-23.7-177.2-60.2-175.2-177.8-162-3.1113A34 H225 E239A34-R36 WeakPolarHBondContact O-CG 3.21Å; R36-H225 PolarHBondContact NH2-NE2 3.44Å; R36-E239 PolarHBondContact N-OE1 2.82Å; R36-E239 PolarHBondContact N-OE2 2.82Å
37H82.1Confident88.7Confident108 Ų10869.8 Ų69.850%0.536%0.362SS..SBendtrans-96-15.3-172.8-52.289000112.3E236 E239H37-E236 HydrophobicContact CB-CB 4.35Å; H37-E236 HydrophobicContact CB-CG 3.85Å; H37-E236 IonicContact CD2-OE1 2.66Å; H37-E236 IonicContact NE2-OE1 3.51Å; H37-E239 WeakPolarHBondContact CB-OE2 3.48Å; H37-E239 IonicContact CE1-OE1 3.89Å; H37-E239 IonicContact CG-OE2 3.94Å; H37-E239 PolarHBondContact N-OE2 2.89Å; H37-E239 IonicContact ND1-OE1 2.91Å; H37-E239 PolarHBondContact ND1-OE1 3.3Å; H37-E239 IonicContact ND1-OE2 3.49Å; H37-E239 PolarHBondContact ND1-OE2 2.85Å
38A84.7Confident89.1Confident25 Ų2570.7 Ų70.721%0.20737%0.365CS..  trans-151.8157.1178.100000111.5M240 L243A38-M240 HydrophobicContact CB-CE 3.88Å; A38-M240 HydrophobicContact CB-CG 4.27Å; A38-M240 HydrophobicContact CB-SD 3.25Å; A38-M240 WeakPolarHBondContact CB-SD 3.38Å; A38-L243 HydrophobicContact CB-CD1 3.52Å; A38-L243 WeakPolarHBondContact O-CD1 3.33Å
39E89Confident89.6Confident166 Ų16669.4 Ų69.478%0.77636%0.357SS*.  trans-139.8156.3177.962175.1-163.900110.9
40L90.7Very high90.2Very high36 Ų3671.2 Ų71.219%0.18837%0.37CS..  trans-81.6131.6172.4-64.9178.9000109.9M42 F45 L243 K246 C247 I250L40-M42 HydrophobicContact CB-CG 4.42Å; L40-M42 HydrophobicContact CB-SD 3.91Å; L40-M42 HydrophobicContact CD1-SD 4.4Å; L40-M42 PolarHBondContact O-N 3.17Å; L40-F45 HydrophobicContact CB-CE2 4.08Å; L40-F45 HydrophobicContact CB-CZ 4.2Å; L40-F45 HydrophobicContact CD1-CZ 4.09Å; L40-F45 HydrophobicContact CD2-CZ 4.34Å; L40-F45 HydrophobicContact CG-CZ 4.44Å; L40-L243 HydrophobicContact CD1-CD2 4.46Å; L40-L243 HydrophobicContact CD2-CB 4.08Å; L40-L243 HydrophobicContact CD2-CD2 4.36Å; L40-L243 HydrophobicContact CG-CD2 3.89Å; L40-K246 HydrophobicContact CD1-CB 4.33Å; L40-K246 HydrophobicContact CD1-CD 4.26Å; L40-K246 HydrophobicContact CD1-CG 4Å; L40-C247 HydrophobicContact CD1-CB 4.47Å; L40-C247 HydrophobicContact CD2-CB 3.92Å; L40-I250 HydrophobicContact CD1-CD1 4.19Å
41C91.6Very high90.6Very high59 Ų5972.5 Ų72.540%0.39937%0.373SS..  trans-74.969.7173.5-66.10000110.8H43 K44 F45C41-H43 PolarHBondContact O-N 3.26Å; C41-H43 VanDerWaalsContact O-N 3.07Å; C41-K44 HydrophobicContact CB-CD 4.22Å; C41-K44 HydrophobicContact CB-CG 4.31Å; C41-K44 PolarHBondContact O-N 3.22Å; C41-F45 WeakPolarHBondContact O-CD2 3.46Å
42M92.3Very high91Very high105 Ų10571.8 Ų71.852%0.51737%0.369SS..G310 helixtrans-51.8-36.9-171.4-66.3-59.4-66.800113.3L40 K44 F45 I250L40-M42 HydrophobicContact CB-CG 4.42Å; L40-M42 HydrophobicContact CB-SD 3.91Å; L40-M42 HydrophobicContact CD1-SD 4.4Å; L40-M42 PolarHBondContact O-N 3.17Å; M42-K44 PolarHBondContact O-N 3.17Å; M42-F45 PolarHBondContact O-N 3.48Å; M42-F45 VanDerWaalsContact O-N 3.15Å; M42-F45 HydrophobicContact SD-CD2 4.37Å; M42-F45 HydrophobicContact SD-CE2 4.12Å; M42-F45 HydrophobicContact SD-CZ 4.42Å; M42-I250 HydrophobicContact CE-CD1 4.19Å; M42-I250 HydrophobicContact SD-CD1 4.31Å
43H94.1Very high91.4Very high149 Ų14971.7 Ų71.769%0.6937%0.367SS*.G310 helixtrans-63.6-10.8178.166.6-88.2000115C41C41-H43 PolarHBondContact O-N 3.26Å; C41-H43 VanDerWaalsContact O-N 3.07Å
44K94Very high91.8Very high118 Ų11869.2 Ų69.251%0.51336%0.362SS..G310 helixtrans-100.3-8.5177.6-61.7-172.7178.2174.30113.6C41 M42 D46 A47 V48C41-K44 HydrophobicContact CB-CD 4.22Å; C41-K44 HydrophobicContact CB-CG 4.31Å; C41-K44 PolarHBondContact O-N 3.22Å; M42-K44 PolarHBondContact O-N 3.17Å; K44-D46 PolarHBondContact O-N 3.5Å; K44-A47 PolarHBondContact O-N 3.05Å; K44-V48 WeakPolarHBondContact O-CG2 3.23Å; K44-V48 PolarHBondContact O-N 3.21Å; K44-V48 VanDerWaalsContact O-N 3.08Å
45F95.6Very high92.1Very high17 Ų1770 Ų708%0.07536%0.359CS..Hα-helixtrans-64.8-40-170.6-87.8-111.9000112.7L40 C41 M42 A47 V48 A49 C247 I250 L251 L254L40-F45 HydrophobicContact CB-CE2 4.08Å; L40-F45 HydrophobicContact CB-CZ 4.2Å; L40-F45 HydrophobicContact CD1-CZ 4.09Å; L40-F45 HydrophobicContact CD2-CZ 4.34Å; L40-F45 HydrophobicContact CG-CZ 4.44Å; C41-F45 WeakPolarHBondContact O-CD2 3.46Å; M42-F45 PolarHBondContact O-N 3.48Å; M42-F45 VanDerWaalsContact O-N 3.15Å; M42-F45 HydrophobicContact SD-CD2 4.37Å; M42-F45 HydrophobicContact SD-CE2 4.12Å; M42-F45 HydrophobicContact SD-CZ 4.42Å; F45-A47 PolarHBondContact O-N 3.42Å; F45-V48 PolarHBondContact O-N 3.14Å; F45-A49 WeakPolarHBondContact O-CB 3.44Å; F45-A49 PolarHBondContact O-N 3.32Å; F45-C247 HydrophobicContact CE1-CB 4.45Å; F45-C247 HydrophobicContact CZ-CB 4.2Å; F45-I250 HydrophobicContact CD1-CB 4.05Å; F45-I250 HydrophobicContact CD1-CG2 3.44Å; F45-I250 VanDerWaalsContact CD1-CG2 3.44Å; F45-I250 HydrophobicContact CE1-CB 3.81Å; F45-I250 HydrophobicContact CE1-CD1 4.34Å; F45-I250 HydrophobicContact CE1-CG2 3.72Å; F45-I250 HydrophobicContact CG-CG2 4.39Å; F45-L251 HydrophobicContact CD1-CD2 3.7Å; F45-L251 HydrophobicContact CD1-CG 3.91Å; F45-L251 HydrophobicContact CE1-CD2 4.22Å; F45-L251 HydrophobicContact CE1-CG 3.94Å; F45-L251 HydrophobicContact CG-CD2 4.39Å; F45-L254 HydrophobicContact CB-CD1 3.75Å; F45-L254 HydrophobicContact CD1-CD1 4.21Å; F45-L254 HydrophobicContact CG-CD1 4.49Å
46D96Very high92.5Very high75 Ų7570.3 Ų70.340%0.40136%0.356SS..Hα-helixtrans-58.6-49.1175.6-75.8-64.5000111.9K44 V48 A49 D50 R258K44-D46 PolarHBondContact O-N 3.5Å; D46-V48 VanDerWaalsContact C-N 3.29Å; D46-V48 PolarHBondContact O-N 3.31Å; D46-A49 PolarHBondContact O-N 3.37Å; D46-A49 VanDerWaalsContact O-N 3.15Å; D46-D50 VanDerWaalsContact O-CG 3.27Å; D46-D50 PolarHBondContact O-N 3.37Å; D46-R258 IonicContact OD1-CZ 2.85Å; D46-R258 IonicContact OD1-NH2 3.65Å; D46-R258 PolarHBondContact OD1-NH2 2.92Å
47A95.9Very high92.9Very high70 Ų7068 Ų6858%0.57935%0.351SS*.Hα-helixtrans-62.6-36.4179.200000112.6K44 F45 K51K44-A47 PolarHBondContact O-N 3.05Å; F45-A47 PolarHBondContact O-N 3.42Å; A47-K51 WeakPolarHBondContact O-CB 3.48Å; A47-K51 PolarHBondContact O-N 3Å; A47-K51 VanDerWaalsContact O-N 3.11Å
48V94.9Very high93.3Very high59 Ų5968.1 Ų68.136%0.35835%0.352SS..Hα-helixtrans-69.6-42.6174.9176.10000110.7K44 F45 D46 K51 L52 L251K44-V48 WeakPolarHBondContact O-CG2 3.23Å; K44-V48 PolarHBondContact O-N 3.21Å; K44-V48 VanDerWaalsContact O-N 3.08Å; F45-V48 PolarHBondContact O-N 3.14Å; D46-V48 VanDerWaalsContact C-N 3.29Å; D46-V48 PolarHBondContact O-N 3.31Å; V48-K51 WeakPolarHBondContact O-CB 3.24Å; V48-K51 PolarHBondContact O-N 3.34Å; V48-L52 HydrophobicContact CG1-CD1 4.1Å; V48-L52 HydrophobicContact CG1-CG 4.45Å; V48-L52 WeakPolarHBondContact O-CG 3.5Å; V48-L52 PolarHBondContact O-N 3.33Å; V48-L251 HydrophobicContact CB-CD2 4.06Å; V48-L251 HydrophobicContact CG1-CD1 4.06Å; V48-L251 HydrophobicContact CG1-CD2 3.74Å
49A96.4Very high93.5Very high0 Ų067.5 Ų67.50%035%0.348CS..Hα-helixtrans-61.6-46.317700000111.3F45 D46 K51 L52 V53 L254 V255F45-A49 WeakPolarHBondContact O-CB 3.44Å; F45-A49 PolarHBondContact O-N 3.32Å; D46-A49 PolarHBondContact O-N 3.37Å; D46-A49 VanDerWaalsContact O-N 3.15Å; A49-K51 VanDerWaalsContact C-N 3.31Å; A49-K51 PolarHBondContact O-N 2.88Å; A49-L52 PolarHBondContact O-N 3.25Å; A49-L52 VanDerWaalsContact O-N 3.11Å; A49-V53 WeakPolarHBondContact O-CG2 3.4Å; A49-V53 PolarHBondContact O-N 2.76Å; A49-L254 HydrophobicContact CB-CB 3.83Å; A49-V255 HydrophobicContact CB-CG2 4.02Å
50D96.5Very high93.3Very high82 Ų8260.3 Ų60.344%0.43931%0.313SS..Hα-helixtrans-60.3-41.6176.9-67.7-20.3000111.5D46 V53 S54 R258D46-D50 VanDerWaalsContact O-CG 3.27Å; D46-D50 PolarHBondContact O-N 3.37Å; D50-V53 PolarHBondContact O-N 2.62Å; D50-S54 WeakPolarHBondContact O-CB 3.28Å; D50-S54 PolarHBondContact O-N 3.34Å; D50-R258 IonicContact OD1-NE 2.92Å
51K95.1Very high93Very high88 Ų8860.1 Ų60.138%0.38331%0.312SS..Hα-helixtrans-59.4-48.1173.3-176.9-176176.7-170.50110.9A47 V48 A49 S54 K55 D280A47-K51 WeakPolarHBondContact O-CB 3.48Å; A47-K51 PolarHBondContact O-N 3Å; A47-K51 VanDerWaalsContact O-N 3.11Å; V48-K51 WeakPolarHBondContact O-CB 3.24Å; V48-K51 PolarHBondContact O-N 3.34Å; A49-K51 VanDerWaalsContact C-N 3.31Å; A49-K51 PolarHBondContact O-N 2.88Å; K51-S54 WeakPolarHBondContact O-CB 3.46Å; K51-S54 PolarHBondContact O-N 3.08Å; K51-K55 WeakPolarHBondContact O-CG 3.24Å; K51-K55 PolarHBondContact O-N 3.45Å; K51-D280 WeakPolarHBondContact CE-OD1 3.34Å; K51-D280 IonicContact NZ-OD1 3.51Å; K51-D280 PolarHBondContact NZ-OD1 2.66Å; K51-D280 IonicContact NZ-OD2 2.89Å; K51-D280 PolarHBondContact NZ-OD2 3.13Å
52L94.9Very high92.3Very high8 Ų867.1 Ų67.14%0.04233%0.331CS..Hα-helixtrans-63.8-43.2179.5-69.6171.6000111.6V48 A49 S54 K55 F56 L251 V255 I273 M276 I277V48-L52 HydrophobicContact CG1-CD1 4.1Å; V48-L52 HydrophobicContact CG1-CG 4.45Å; V48-L52 WeakPolarHBondContact O-CG 3.5Å; V48-L52 PolarHBondContact O-N 3.33Å; A49-L52 PolarHBondContact O-N 3.25Å; A49-L52 VanDerWaalsContact O-N 3.11Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-S54 PolarHBondContact O-N 3.16Å; L52-K55 PolarHBondContact O-N 2.93Å; L52-K55 VanDerWaalsContact O-N 3.15Å; L52-F56 WeakPolarHBondContact O-CB 2.99Å; L52-F56 PolarHBondContact O-N 3.14Å; L52-L251 HydrophobicContact CD1-CD1 4.46Å; L52-V255 HydrophobicContact CB-CG2 3.86Å; L52-V255 HydrophobicContact CD1-CG2 4.1Å; L52-I273 HydrophobicContact CD1-CD1 4.47Å; L52-I273 HydrophobicContact CD1-CG2 4.14Å; L52-M276 HydrophobicContact CB-CE 4.24Å; L52-M276 HydrophobicContact CD2-CB 3.87Å; L52-M276 HydrophobicContact CD2-CE 4.05Å; L52-M276 WeakPolarHBondContact O-CE 3.43Å; L52-I277 HydrophobicContact CD2-CG1 4.43Å
53V96Very high90.6Very high6 Ų667.8 Ų67.84%0.03634%0.336CS..Hα-helixtrans-57-46.4173.9171.20000110.8A49 D50 K55 F56 K57 V255 R258 L259A49-V53 WeakPolarHBondContact O-CG2 3.4Å; A49-V53 PolarHBondContact O-N 2.76Å; D50-V53 PolarHBondContact O-N 2.62Å; V53-K55 PolarHBondContact O-N 3.12Å; V53-F56 PolarHBondContact O-N 3.25Å; V53-K57 HydrophobicContact CG1-CD 4.38Å; V53-K57 WeakPolarHBondContact O-CG 3.35Å; V53-K57 PolarHBondContact O-N 3.07Å; V53-V255 HydrophobicContact CG2-CB 4.4Å; V53-V255 HydrophobicContact CG2-CG1 3.9Å; V53-V255 HydrophobicContact CG2-CG2 4.43Å; V53-R258 HydrophobicContact CG2-CB 3.81Å; V53-L259 HydrophobicContact CG1-CD2 4.01Å; V53-L259 HydrophobicContact CG2-CG 4.42Å
54S95.1Very high88.8Confident56 Ų5661.5 Ų61.539%0.39231%0.308SS..Hα-helixtrans-59.3-45.1175.9-1740000112D50 K51 L52 K57 Q58D50-S54 WeakPolarHBondContact O-CB 3.28Å; D50-S54 PolarHBondContact O-N 3.34Å; K51-S54 WeakPolarHBondContact O-CB 3.46Å; K51-S54 PolarHBondContact O-N 3.08Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-S54 PolarHBondContact O-N 3.16Å; S54-K57 PolarHBondContact O-N 3.38Å; S54-Q58 VanDerWaalsContact O-CG 3.29Å; S54-Q58 WeakPolarHBondContact O-CG 3.26Å; S54-Q58 PolarHBondContact O-N 3.42Å; S54-Q58 PolarHBondContact OG-NE2 3.49Å
55K91.8Very high86.7Confident48 Ų4862 Ų6221%0.20932%0.323CS..Hα-helixtrans-64.2-40176.8-69.3-43.6-165.8166.60112.9K51 L52 V53 Q58 W60 M276K51-K55 WeakPolarHBondContact O-CG 3.24Å; K51-K55 PolarHBondContact O-N 3.45Å; L52-K55 PolarHBondContact O-N 2.93Å; L52-K55 VanDerWaalsContact O-N 3.15Å; V53-K55 PolarHBondContact O-N 3.12Å; K55-Q58 WeakPolarHBondContact O-CB 3.37Å; K55-Q58 PolarHBondContact O-N 3.46Å; K55-W60 HydrophobicContact CB-CD2 3.73Å; K55-W60 HydrophobicContact CB-CE3 3.94Å; K55-W60 HydrophobicContact CB-CG 4Å; K55-W60 HydrophobicContact CB-CZ3 4.46Å; K55-W60 HydrophobicContact CD-CD2 4.12Å; K55-W60 HydrophobicContact CD-CH2 4.04Å; K55-W60 HydrophobicContact CD-CZ2 3.56Å; K55-W60 HydrophobicContact CD-CZ3 4.49Å; K55-W60 VanDerWaalsContact CE-CZ2 3.47Å; K55-W60 HydrophobicContact CG-CD2 4.08Å; K55-W60 HydrophobicContact CG-CE3 4.13Å; K55-W60 HydrophobicContact CG-CH2 4.17Å; K55-W60 HydrophobicContact CG-CZ2 4.11Å; K55-W60 HydrophobicContact CG-CZ3 4.16Å; K55-W60 WeakPolarHBondContact O-CB 3.39Å; K55-W60 VanDerWaalsContact O-CD1 3.22Å; K55-W60 VanDerWaalsContact O-CG 3.28Å; K55-W60 PolarHBondContact O-N 3.07Å; K55-M276 HydrophobicContact CB-CE 3.66Å
56F92.1Very high84.6Confident31 Ų3166.8 Ų66.814%0.13634%0.34CS..Hα-helixtrans-60.1-47.5175.3168.9-107.7000111.1L52 V53 Q58 G59 L61 L259 A266 L268 M276L52-F56 WeakPolarHBondContact O-CB 2.99Å; L52-F56 PolarHBondContact O-N 3.14Å; V53-F56 PolarHBondContact O-N 3.25Å; F56-Q58 PolarHBondContact O-N 3.17Å; F56-G59 PolarHBondContact O-N 3.27Å; F56-L61 HydrophobicContact CD2-CB 4.31Å; F56-L61 HydrophobicContact CD2-CD1 3.65Å; F56-L61 HydrophobicContact CD2-CG 4.03Å; F56-L61 HydrophobicContact CE2-CB 4.41Å; F56-L61 HydrophobicContact CE2-CD1 3.89Å; F56-L61 HydrophobicContact CE2-CG 4.48Å; F56-L259 HydrophobicContact CD1-CD1 4.16Å; F56-L259 HydrophobicContact CD1-CD2 3.71Å; F56-L259 HydrophobicContact CE1-CD1 4.19Å; F56-L259 HydrophobicContact CE1-CD2 3.93Å; F56-A266 HydrophobicContact CE1-CB 3.75Å; F56-A266 HydrophobicContact CZ-CB 3.52Å; F56-L268 HydrophobicContact CB-CD1 4.29Å; F56-L268 HydrophobicContact CD2-CD1 4.05Å; F56-L268 HydrophobicContact CD2-CD2 3.8Å; F56-L268 HydrophobicContact CE2-CD2 3.62Å; F56-L268 HydrophobicContact CG-CD1 4.12Å; F56-L268 HydrophobicContact CG-CD2 4.47Å; F56-L268 HydrophobicContact CZ-CD2 4.15Å; F56-M276 HydrophobicContact CB-CE 3.94Å; F56-M276 HydrophobicContact CB-SD 4.43Å
57K91.8Very high82.1Confident121 Ų12166.2 Ų66.253%0.52633%0.334SS..Hα-helixtrans-61.7-30.8176-70.2177.3-178.8177.20113.2V53 S54 G59 E262V53-K57 HydrophobicContact CG1-CD 4.38Å; V53-K57 WeakPolarHBondContact O-CG 3.35Å; V53-K57 PolarHBondContact O-N 3.07Å; S54-K57 PolarHBondContact O-N 3.38Å; K57-G59 PolarHBondContact O-N 3.43Å; K57-G59 VanDerWaalsContact O-N 3.15Å; K57-E262 WeakPolarHBondContact CE-OE2 3.45Å; K57-E262 IonicContact NZ-OE1 2.82Å; K57-E262 PolarHBondContact NZ-OE1 3.3Å; K57-E262 IonicContact NZ-OE2 2.64Å; K57-E262 PolarHBondContact NZ-OE2 3.46Å
58Q90.9Very high79.8Confident112 Ų11267.2 Ų67.252%0.52334%0.335SS..THydrogen-bonded Turntrans-71.15.3171.5-69.1166.218.200113.3S54 K55 F56S54-Q58 VanDerWaalsContact O-CG 3.29Å; S54-Q58 WeakPolarHBondContact O-CG 3.26Å; S54-Q58 PolarHBondContact O-N 3.42Å; S54-Q58 PolarHBondContact OG-NE2 3.49Å; K55-Q58 WeakPolarHBondContact O-CB 3.37Å; K55-Q58 PolarHBondContact O-N 3.46Å; F56-Q58 PolarHBondContact O-N 3.17Å
59G88.8Confident77.3Confident12 Ų1271.6 Ų71.612%0.12435%0.35CS..THydrogen-bonded Turntrans82.517.6174.700000114.2F56 K57 L61 R62 D63F56-G59 PolarHBondContact O-N 3.27Å; K57-G59 PolarHBondContact O-N 3.43Å; K57-G59 VanDerWaalsContact O-N 3.15Å; G59-L61 PolarHBondContact O-N 3.36Å; G59-R62 PolarHBondContact O-N 3.26Å; G59-D63 PolarHBondContact O-N 3.19Å
60W85.7Confident74.2Confident14 Ų1474.5 Ų74.55%0.05338%0.379CS..THydrogen-bonded Turntrans-56.2-29.6-178-82.434.1000113.5K55 K67 R279 D280 E283K55-W60 HydrophobicContact CB-CD2 3.73Å; K55-W60 HydrophobicContact CB-CE3 3.94Å; K55-W60 HydrophobicContact CB-CG 4Å; K55-W60 HydrophobicContact CB-CZ3 4.46Å; K55-W60 HydrophobicContact CD-CD2 4.12Å; K55-W60 HydrophobicContact CD-CH2 4.04Å; K55-W60 HydrophobicContact CD-CZ2 3.56Å; K55-W60 HydrophobicContact CD-CZ3 4.49Å; K55-W60 VanDerWaalsContact CE-CZ2 3.47Å; K55-W60 HydrophobicContact CG-CD2 4.08Å; K55-W60 HydrophobicContact CG-CE3 4.13Å; K55-W60 HydrophobicContact CG-CH2 4.17Å; K55-W60 HydrophobicContact CG-CZ2 4.11Å; K55-W60 HydrophobicContact CG-CZ3 4.16Å; K55-W60 WeakPolarHBondContact O-CB 3.39Å; K55-W60 VanDerWaalsContact O-CD1 3.22Å; K55-W60 VanDerWaalsContact O-CG 3.28Å; K55-W60 PolarHBondContact O-N 3.07Å; W60-K67 WeakPolarHBondContact O-CE 3.4Å; W60-K67 PolarHBondContact O-NZ 3.43Å; W60-R279 HydrophobicContact CE3-CB 4.24Å; W60-R279 HydrophobicContact CE3-CG 3.96Å; W60-R279 HydrophobicContact CH2-CG 4.19Å; W60-R279 HydrophobicContact CZ3-CB 3.96Å; W60-R279 HydrophobicContact CZ3-CG 3.74Å; W60-R279 PolarHBondContact O-NH1 3.12Å; W60-D280 HydrophobicContact CH2-CB 4.03Å; W60-D280 HydrophobicContact CZ3-CB 3.87Å; W60-E283 WeakPolarHBondContact CH2-OE2 3.3Å; W60-E283 WeakPolarHBondContact CZ2-OE2 3.46Å
61L83.2Confident71.5Confident32 Ų3275.6 Ų75.617%0.16839%0.385CS..THydrogen-bonded Turntrans-91.7-10.7174.9-61.5-175.1000115.2F56 G59 K67 L268 D272 Y275 M276F56-L61 HydrophobicContact CD2-CB 4.31Å; F56-L61 HydrophobicContact CD2-CD1 3.65Å; F56-L61 HydrophobicContact CD2-CG 4.03Å; F56-L61 HydrophobicContact CE2-CB 4.41Å; F56-L61 HydrophobicContact CE2-CD1 3.89Å; F56-L61 HydrophobicContact CE2-CG 4.48Å; G59-L61 PolarHBondContact O-N 3.36Å; L61-K67 VanDerWaalsContact CA-CE 3.46Å; L61-K67 VanDerWaalsContact CA-NZ 3.3Å; L61-K67 WeakPolarHBondContact O-CE 3.21Å; L61-K67 PolarHBondContact O-NZ 3.44Å; L61-L268 HydrophobicContact CD1-CD1 4.19Å; L61-L268 HydrophobicContact CD1-CD2 3.46Å; L61-L268 VanDerWaalsContact CD1-CD2 3.46Å; L61-L268 HydrophobicContact CD1-CG 4.43Å; L61-D272 HydrophobicContact CD1-CB 3.77Å; L61-D272 HydrophobicContact CD2-CB 4.2Å; L61-Y275 HydrophobicContact CD2-CD1 3.63Å; L61-Y275 HydrophobicContact CD2-CE1 3.91Å; L61-M276 HydrophobicContact CD1-SD 4.23Å; L61-M276 HydrophobicContact CD2-CG 3.89Å; L61-M276 HydrophobicContact CD2-SD 4.08Å; L61-M276 HydrophobicContact CG-CG 4.45Å; L61-M276 HydrophobicContact CG-SD 4.05Å
62R76.7Confident68.9Low207 Ų20775.1 Ų75.178%0.78139%0.39SS*.THydrogen-bonded Turntrans-92.6-48.6173.2-64.9-179.1-178.5174.5-0.5111.3G59 K67G59-R62 PolarHBondContact O-N 3.26Å; R62-K67 PolarHBondContact O-NZ 2.91Å
63D58.2Low66.6Low118 Ų11880 Ų8063%0.63142%0.416SS*.  trans-117.399-173.8-55.8-46.5000110.5G59 K67 R279G59-D63 PolarHBondContact O-N 3.19Å; D63-K67 VanDerWaalsContact N-NZ 3.19Å; D63-R279 PolarHBondContact O-NH1 2.89Å
64D55.8Low65.2Low18 Ų1881.4 Ų81.410%0.09642%0.422CS..  trans-127.5119.7153.5-170.21.2000107.1R66 K67 Y275D64-R66 VanDerWaalsContact CG-N 3.27Å; D64-R66 PolarHBondContact O-N 3.23Å; D64-R66 WeakPolarHBondContact OD1-CB 3.09Å; D64-R66 IonicContact OD1-CZ 3.12Å; D64-R66 PolarHBondContact OD1-N 3Å; D64-R66 IonicContact OD1-NE 2.96Å; D64-R66 PolarHBondContact OD1-NE 3.34Å; D64-R66 VanDerWaalsContact OD1-NE 3.09Å; D64-R66 IonicContact OD1-NH2 3.23Å; D64-R66 WeakPolarHBondContact OD2-CB 3.45Å; D64-R66 IonicContact OD2-NE 3.5Å; D64-K67 HydrophobicContact CB-CB 3.96Å; D64-K67 HydrophobicContact CB-CD 4.35Å; D64-K67 HydrophobicContact CB-CG 3.79Å; D64-K67 VanDerWaalsContact N-NZ 3.12Å; D64-K67 WeakPolarHBondContact O-CB 3.31Å; D64-K67 PolarHBondContact O-N 2.85Å; D64-Y275 WeakPolarHBondContact CB-OH 3.22Å; D64-Y275 PolarHBondContact OD2-OH 3.22Å
65P48.5Very low64.2Low128 Ų12878.8 Ų78.883%0.83140%0.403SS*.THydrogen-bonded Turntrans-57.4-10.3165.922-30.6000112.7
66R52.8Low63.5Low117 Ų11777 Ų7744%0.44240%0.396SS..THydrogen-bonded Turntrans-106.38.3174.1-52.3163.9-69.2-170.8-1.3114.5D64 P68 E283D64-R66 VanDerWaalsContact CG-N 3.27Å; D64-R66 PolarHBondContact O-N 3.23Å; D64-R66 WeakPolarHBondContact OD1-CB 3.09Å; D64-R66 IonicContact OD1-CZ 3.12Å; D64-R66 PolarHBondContact OD1-N 3Å; D64-R66 IonicContact OD1-NE 2.96Å; D64-R66 PolarHBondContact OD1-NE 3.34Å; D64-R66 VanDerWaalsContact OD1-NE 3.09Å; D64-R66 IonicContact OD1-NH2 3.23Å; D64-R66 WeakPolarHBondContact OD2-CB 3.45Å; D64-R66 IonicContact OD2-NE 3.5Å; R66-P68 WeakPolarHBondContact O-CA 3.49Å; R66-E283 IonicContact CZ-OE1 3.97Å; R66-E283 IonicContact NH2-OE1 3.78Å; R66-E283 PolarHBondContact NH2-OE1 3Å
67K43.8Very low62.8Low63 Ų6379.4 Ų79.427%0.27441%0.41SS..SBendtrans-70136.7176.8-109.3-178.1-147.8111.70112.7W60 L61 R62 D63 D64 F69W60-K67 WeakPolarHBondContact O-CE 3.4Å; W60-K67 PolarHBondContact O-NZ 3.43Å; L61-K67 VanDerWaalsContact CA-CE 3.46Å; L61-K67 VanDerWaalsContact CA-NZ 3.3Å; L61-K67 WeakPolarHBondContact O-CE 3.21Å; L61-K67 PolarHBondContact O-NZ 3.44Å; R62-K67 PolarHBondContact O-NZ 2.91Å; D63-K67 VanDerWaalsContact N-NZ 3.19Å; D64-K67 HydrophobicContact CB-CB 3.96Å; D64-K67 HydrophobicContact CB-CD 4.35Å; D64-K67 HydrophobicContact CB-CG 3.79Å; D64-K67 VanDerWaalsContact N-NZ 3.12Å; D64-K67 WeakPolarHBondContact O-CB 3.31Å; D64-K67 PolarHBondContact O-N 2.85Å; K67-F69 VanDerWaalsContact C-N 3.29Å; K67-F69 PolarHBondContact O-N 3.3Å
68P47.1Very low62.4Low91 Ų9175.2 Ų75.259%0.59139%0.393SS*.SBend-90.410.5-6929.6-25.9000112.6R66R66-P68 WeakPolarHBondContact O-CA 3.49Å
69F41.4Very low62.2Low152 Ų15271 Ų7167%0.66738%0.375SS*.SBendtrans-11914.3-173.1-67.6-82.6000114.1K67 L71K67-F69 VanDerWaalsContact C-N 3.29Å; K67-F69 PolarHBondContact O-N 3.3Å; F69-L71 VanDerWaalsContact C-N 3.27Å; F69-L71 PolarHBondContact O-N 2.91Å
70G33Very low62.2Low60 Ų6079.6 Ų79.662%0.61941%0.412SS*.  trans-81.3-017600000114.8
71L38.1Very low62.4Low106 Ų10680.4 Ų80.456%0.55542%0.417SS*.SBendtrans-65143.6159.5-69.7165.8000107F69 L73F69-L71 VanDerWaalsContact C-N 3.27Å; F69-L71 PolarHBondContact O-N 2.91Å; L71-L73 PolarHBondContact O-N 2.99Å; L71-L73 VanDerWaalsContact O-N 3.16Å
72P41.5Very low62.8Low77 Ų7782.8 Ų82.850%0.544%0.435SS..SBendtrans-43.7132.416820.9-32000107.2H74P72-H74 PolarHBondContact O-N 3.49Å
73L46Very low63.5Low110 Ų11078.1 Ų78.158%0.57643%0.425SS*.SBendtrans-15.5108.1-173.3-82.4161.8000108.8L71 V75 N77 D78L71-L73 PolarHBondContact O-N 2.99Å; L71-L73 VanDerWaalsContact O-N 3.16Å; L73-V75 PolarHBondContact O-N 3.47Å; L73-N77 HydrophobicContact CD2-CB 4.05Å; L73-D78 WeakPolarHBondContact CB-OD1 3.34Å
74H66.1Low65.2Low37 Ų3778.6 Ų78.617%0.17142%0.418CS..  trans-42.5128.3-179.5-175.9-111.6000107.3P72 F76 N77 K125P72-H74 PolarHBondContact O-N 3.49Å; H74-F76 AromaticContact CE1-CD2 3Å; H74-F76 WeakPolarHBondContact CE1-CD2 3.43Å; H74-F76 AromaticContact CE1-CE2 3.42Å; H74-F76 VanDerWaalsContact CE1-CE2 3.42Å; H74-F76 WeakPolarHBondContact CE1-CE2 3.37Å; H74-F76 AromaticContact CE1-CG 3.81Å; H74-F76 AromaticContact ND1-CD2 3.17Å; H74-F76 WeakPolarHBondContact ND1-CD2 3.28Å; H74-F76 AromaticContact ND1-CG 3.65Å; H74-F76 AromaticContact NE2-CD2 3.98Å; H74-F76 CarbonylContact O-C 3.5Å; H74-F76 PolarHBondContact O-N 2.95Å; H74-N77 WeakPolarHBondContact O-CA 3.45Å; H74-N77 WeakPolarHBondContact O-CB 3.48Å; H74-N77 PolarHBondContact O-N 2.91Å; H74-K125 VanDerWaalsContact NE2-CE 3.33Å; H74-K125 WeakPolarHBondContact NE2-CE 3.33Å; H74-K125 PolarHBondContact NE2-NZ 3.34Å; H74-K125 VanDerWaalsContact NE2-NZ 3.17Å
75V74.6Confident66.9Low0 Ų082.5 Ų82.50%044%0.435CS..G310 helixtrans-49.8-20.6-165-65.90000114.4L73 N77 D78 W121 K125 M128 V129 N132L73-V75 PolarHBondContact O-N 3.47Å; V75-N77 PolarHBondContact O-N 2.87Å; V75-D78 WeakPolarHBondContact CA-OD2 3.27Å; V75-D78 PolarHBondContact O-N 2.86Å; V75-W121 HydrophobicContact CG1-CD2 3.74Å; V75-W121 VanDerWaalsContact CG1-CE2 3.44Å; V75-W121 HydrophobicContact CG1-CE3 4.05Å; V75-W121 HydrophobicContact CG1-CG 4.39Å; V75-W121 HydrophobicContact CG1-CH2 3.79Å; V75-W121 HydrophobicContact CG1-CZ2 3.47Å; V75-W121 VanDerWaalsContact CG1-CZ2 3.47Å; V75-W121 HydrophobicContact CG1-CZ3 4.07Å; V75-K125 HydrophobicContact CG2-CB 3.74Å; V75-K125 HydrophobicContact CG2-CD 4.49Å; V75-K125 HydrophobicContact CG2-CG 3.95Å; V75-M128 HydrophobicContact CB-CG 4.26Å; V75-M128 HydrophobicContact CG2-CB 3.95Å; V75-M128 HydrophobicContact CG2-CG 4.02Å; V75-M128 VanDerWaalsContact O-CG 3.31Å; V75-M128 WeakPolarHBondContact O-CG 3.32Å; V75-V129 HydrophobicContact CB-CG2 4.19Å; V75-V129 HydrophobicContact CG1-CG2 3.81Å; V75-N132 PolarHBondContact O-ND2 3.31Å
76F76.5Confident68.9Low11 Ų1178.1 Ų78.15%0.04841%0.408CS..G310 helixtrans-67.9-11171.4-66.2-108.2000115.7H74 R89 W90 V93 A124 K125 M128H74-F76 AromaticContact CE1-CD2 3Å; H74-F76 WeakPolarHBondContact CE1-CD2 3.43Å; H74-F76 AromaticContact CE1-CE2 3.42Å; H74-F76 VanDerWaalsContact CE1-CE2 3.42Å; H74-F76 WeakPolarHBondContact CE1-CE2 3.37Å; H74-F76 AromaticContact CE1-CG 3.81Å; H74-F76 AromaticContact ND1-CD2 3.17Å; H74-F76 WeakPolarHBondContact ND1-CD2 3.28Å; H74-F76 AromaticContact ND1-CG 3.65Å; H74-F76 AromaticContact NE2-CD2 3.98Å; H74-F76 CarbonylContact O-C 3.5Å; H74-F76 PolarHBondContact O-N 2.95Å; F76-R89 PolarHBondContact O-NH2 3.01Å; F76-W90 HydrophobicContact CB-CE3 4.18Å; F76-W90 HydrophobicContact CB-CZ3 3.72Å; F76-W90 HydrophobicContact CD1-CD2 4.21Å; F76-W90 AromaticContact CD1-CE3 3.25Å; F76-W90 HydrophobicContact CD1-CE3 3.25Å; F76-W90 AromaticContact CD1-CH2 3.79Å; F76-W90 HydrophobicContact CD1-CH2 3.79Å; F76-W90 AromaticContact CD1-CZ3 3.01Å; F76-W90 HydrophobicContact CD1-CZ3 3.01Å; F76-W90 HydrophobicContact CE1-CD2 4.5Å; F76-W90 AromaticContact CE1-CE3 3.91Å; F76-W90 HydrophobicContact CE1-CE3 3.91Å; F76-W90 AromaticContact CE1-CH2 3.97Å; F76-W90 HydrophobicContact CE1-CH2 3.97Å; F76-W90 AromaticContact CE1-CZ3 3.63Å; F76-W90 HydrophobicContact CE1-CZ3 3.63Å; F76-W90 HydrophobicContact CG-CE3 4.08Å; F76-W90 HydrophobicContact CG-CH2 4.34Å; F76-W90 AromaticContact CG-CZ3 3.52Å; F76-W90 HydrophobicContact CG-CZ3 3.52Å; F76-V93 HydrophobicContact CE1-CB 4.5Å; F76-V93 HydrophobicContact CE1-CG1 3.84Å; F76-V93 HydrophobicContact CZ-CG1 4.08Å; F76-A124 HydrophobicContact CZ-CB 4.35Å; F76-K125 HydrophobicContact CE2-CG 4.19Å; F76-M128 HydrophobicContact CB-CE 4.21Å; F76-M128 HydrophobicContact CB-CG 4.48Å; F76-M128 HydrophobicContact CD1-CE 3.05Å; F76-M128 HydrophobicContact CD1-CG 4.29Å; F76-M128 HydrophobicContact CD1-SD 4.43Å; F76-M128 HydrophobicContact CD2-CB 4.42Å; F76-M128 HydrophobicContact CD2-CE 4.49Å; F76-M128 HydrophobicContact CD2-CG 4.13Å; F76-M128 HydrophobicContact CE1-CE 3.45Å; F76-M128 VanDerWaalsContact CE1-CE 3.45Å; F76-M128 HydrophobicContact CE2-CB 4.36Å; F76-M128 HydrophobicContact CG-CE 3.69Å; F76-M128 HydrophobicContact CG-CG 4.04Å; F76-M128 HydrophobicContact CZ-CE 4.34Å
77N78.9Confident70.7Confident82 Ų8274.6 Ų74.644%0.43940%0.397SS..G310 helixtrans-121.30.9-179.5-64.3-18000112.4L73 H74 V75 V79L73-N77 HydrophobicContact CD2-CB 4.05Å; H74-N77 WeakPolarHBondContact O-CA 3.45Å; H74-N77 WeakPolarHBondContact O-CB 3.48Å; H74-N77 PolarHBondContact O-N 2.91Å; V75-N77 PolarHBondContact O-N 2.87Å; N77-V79 PolarHBondContact O-N 3.4Å
78D82.4Confident73Confident32 Ų3271.9 Ų71.917%0.17139%0.386CS..SBendtrans-62.9-21.6-178.9-88.2-11.1000114.3L73 V75L73-D78 WeakPolarHBondContact CB-OD1 3.34Å; V75-D78 WeakPolarHBondContact CA-OD2 3.27Å; V75-D78 PolarHBondContact O-N 2.86Å
79V88Confident75Confident23 Ų2368.1 Ų68.114%0.13936%0.36CS..SBendtrans-126.7116.9175178.10000107N77 L81 R89 N132 L135 R136N77-V79 PolarHBondContact O-N 3.4Å; V79-L81 HydrophobicContact CG1-CD2 4.13Å; V79-L81 HydrophobicContact CG1-CG 4.31Å; V79-R89 PolarHBondContact O-NH1 3.01Å; V79-R89 PolarHBondContact O-NH2 3.14Å; V79-N132 HydrophobicContact CG2-CB 3.75Å; V79-L135 HydrophobicContact CG1-CB 4.12Å; V79-L135 HydrophobicContact CG1-CD1 4.43Å; V79-R136 HydrophobicContact CG2-CG 4.16Å
80E88Confident77.2Confident193 Ų19366.5 Ų66.590%0.90235%0.35SS*.  trans-69.9127.6176.4-172.3176.3-177.600109.9
81L89Confident80.1Confident31 Ų3164 Ų6416%0.16232%0.322CS..  trans-139149.2-178.9-64.9177.2000109.7V79 Q85 S86 L135V79-L81 HydrophobicContact CG1-CD2 4.13Å; V79-L81 HydrophobicContact CG1-CG 4.31Å; L81-Q85 HydrophobicContact CB-CB 4.06Å; L81-Q85 HydrophobicContact CD1-CB 4.22Å; L81-S86 WeakPolarHBondContact CB-OG 3.31Å; L81-S86 PolarHBondContact O-OG 2.89Å; L81-L135 HydrophobicContact CD1-CD1 3.86Å; L81-L135 HydrophobicContact CD1-CD2 4.37Å; L81-L135 HydrophobicContact CD2-CD2 4.3Å
82P92.3Very high82.6Confident82 Ų8259.2 Ų59.253%0.53230%0.296SS..  trans-52.6150168.1-24.133.5000111.7R84 Q85 S86P82-R84 VanDerWaalsContact C-N 3.28Å; P82-R84 PolarHBondContact O-N 3.22Å; P82-R84 VanDerWaalsContact O-N 3.09Å; P82-Q85 PolarHBondContact O-N 3.4Å; P82-S86 PolarHBondContact O-N 2.9Å; P82-S86 PolarHBondContact O-OG 3.47Å
83L91.3Very high84.9Confident109 Ų10955.6 Ų55.657%0.57127%0.273SS*.Hα-helixtrans-46.7-46.9-174.6176.762.1000113.7Q85 S86 L87 Y192L83-Q85 PolarHBondContact O-N 3.31Å; L83-S86 WeakPolarHBondContact O-CB 3.28Å; L83-S86 PolarHBondContact O-N 3.23Å; L83-L87 HydrophobicContact CD1-CD1 3.91Å; L83-L87 HydrophobicContact CD1-CG 4.1Å; L83-L87 HydrophobicContact CG-CD1 4.04Å; L83-L87 WeakPolarHBondContact O-CG 3.01Å; L83-L87 PolarHBondContact O-N 2.66Å; L83-Y192 HydrophobicContact CD2-CE2 3.94Å
84R93.2Very high87Confident128 Ų12852.6 Ų52.648%0.48326%0.261SS..Hα-helixtrans-59.9-47.5-179.6-65.8-172.5179.8-154-0.1112.4P82 L87 N88 Y192P82-R84 VanDerWaalsContact C-N 3.28Å; P82-R84 PolarHBondContact O-N 3.22Å; P82-R84 VanDerWaalsContact O-N 3.09Å; R84-L87 PolarHBondContact O-N 2.88Å; R84-N88 VanDerWaalsContact O-CG 3.28Å; R84-N88 PolarHBondContact O-N 2.97Å; R84-N88 PolarHBondContact O-ND2 3.42Å; R84-Y192 HydrophobicContact CG-CD1 4.03Å; R84-Y192 HydrophobicContact CG-CG 4.01Å
85Q91.7Very high88.2Confident100 Ų10051.1 Ų51.147%0.46725%0.254SS..Hα-helixtrans-67.9-38.6178.9-64.6178.621.700111.6L81 P82 L83 L87 N88 R89L81-Q85 HydrophobicContact CB-CB 4.06Å; L81-Q85 HydrophobicContact CD1-CB 4.22Å; P82-Q85 PolarHBondContact O-N 3.4Å; L83-Q85 PolarHBondContact O-N 3.31Å; Q85-L87 VanDerWaalsContact C-N 3.35Å; Q85-L87 PolarHBondContact O-N 3.16Å; Q85-N88 PolarHBondContact O-N 3.35Å; Q85-R89 WeakPolarHBondContact O-CB 3.43Å; Q85-R89 PolarHBondContact O-N 2.62Å
86S90.4Very high89Confident36 Ų3651.1 Ų51.125%0.25225%0.254SS..Hα-helixtrans-58.6-45.3173.1-72.50000111.8L81 P82 L83 R89 W90L81-S86 WeakPolarHBondContact CB-OG 3.31Å; L81-S86 PolarHBondContact O-OG 2.89Å; P82-S86 PolarHBondContact O-N 2.9Å; P82-S86 PolarHBondContact O-OG 3.47Å; L83-S86 WeakPolarHBondContact O-CB 3.28Å; L83-S86 PolarHBondContact O-N 3.23Å; S86-R89 PolarHBondContact O-N 3.12Å; S86-W90 WeakPolarHBondContact O-CB 3.44Å; S86-W90 PolarHBondContact O-N 3.1Å
87L90.8Very high89.5Confident43 Ų4353.1 Ų53.123%0.22527%0.27CS..Hα-helixtrans-68.3-40.6178.5-73.2171.9000112.7L83 R84 Q85 W90 F91 Y192L83-L87 HydrophobicContact CD1-CD1 3.91Å; L83-L87 HydrophobicContact CD1-CG 4.1Å; L83-L87 HydrophobicContact CG-CD1 4.04Å; L83-L87 WeakPolarHBondContact O-CG 3.01Å; L83-L87 PolarHBondContact O-N 2.66Å; R84-L87 PolarHBondContact O-N 2.88Å; Q85-L87 VanDerWaalsContact C-N 3.35Å; Q85-L87 PolarHBondContact O-N 3.16Å; L87-W90 PolarHBondContact O-N 3.35Å; L87-F91 WeakPolarHBondContact O-CB 3.46Å; L87-F91 PolarHBondContact O-N 3.43Å; L87-Y192 HydrophobicContact CD1-CD2 3.58Å; L87-Y192 HydrophobicContact CD1-CE2 4.41Å; L87-Y192 HydrophobicContact CD1-CG 4.44Å
88N91.9Very high89.9Confident7 Ų751.5 Ų51.54%0.03726%0.259CS..Hα-helixtrans-62.3-47174.5-67.2-17.4000111.3R84 Q85 W90 F91 I92 E190 F191R84-N88 VanDerWaalsContact O-CG 3.28Å; R84-N88 PolarHBondContact O-N 2.97Å; R84-N88 PolarHBondContact O-ND2 3.42Å; Q85-N88 PolarHBondContact O-N 3.35Å; N88-W90 VanDerWaalsContact C-N 3.3Å; N88-W90 PolarHBondContact O-N 3.11Å; N88-F91 PolarHBondContact O-N 3.17Å; N88-I92 WeakPolarHBondContact O-CB 3.33Å; N88-I92 VanDerWaalsContact O-CG1 3.28Å; N88-I92 WeakPolarHBondContact O-CG1 3.3Å; N88-I92 PolarHBondContact O-N 3.44Å; N88-E190 PolarHBondContact ND2-OE1 2.92Å; N88-E190 PolarHBondContact ND2-OE2 3.3Å; N88-F191 PolarHBondContact OD1-N 3.23Å
89R90Very high89.8Confident12 Ų1251.5 Ų51.55%0.04526%0.262CS..Hα-helixtrans-57.1-46.5175.7178.8178.271.8-167.6-10.5110.9F76 V79 Q85 S86 V93 M128 N132F76-R89 PolarHBondContact O-NH2 3.01Å; V79-R89 PolarHBondContact O-NH1 3.01Å; V79-R89 PolarHBondContact O-NH2 3.14Å; Q85-R89 WeakPolarHBondContact O-CB 3.43Å; Q85-R89 PolarHBondContact O-N 2.62Å; S86-R89 PolarHBondContact O-N 3.12Å; R89-V93 WeakPolarHBondContact O-CG2 3.09Å; R89-V93 PolarHBondContact O-N 3Å; R89-V93 VanDerWaalsContact O-N 3.11Å; R89-M128 HydrophobicContact CG-CE 3.92Å; R89-M128 HydrophobicContact CG-SD 3.89Å; R89-N132 PolarHBondContact NH1-OD1 2.9Å; R89-N132 VanDerWaalsContact NH1-OD1 3.16Å
90W88.5Confident89.5Confident118 Ų11852.6 Ų52.645%0.44727%0.265SS..Hα-helixtrans-59.9-52.1178.7-175.2-87000111.4F76 S86 L87 N88 I92 V93 C94F76-W90 HydrophobicContact CB-CE3 4.18Å; F76-W90 HydrophobicContact CB-CZ3 3.72Å; F76-W90 HydrophobicContact CD1-CD2 4.21Å; F76-W90 AromaticContact CD1-CE3 3.25Å; F76-W90 HydrophobicContact CD1-CE3 3.25Å; F76-W90 AromaticContact CD1-CH2 3.79Å; F76-W90 HydrophobicContact CD1-CH2 3.79Å; F76-W90 AromaticContact CD1-CZ3 3.01Å; F76-W90 HydrophobicContact CD1-CZ3 3.01Å; F76-W90 HydrophobicContact CE1-CD2 4.5Å; F76-W90 AromaticContact CE1-CE3 3.91Å; F76-W90 HydrophobicContact CE1-CE3 3.91Å; F76-W90 AromaticContact CE1-CH2 3.97Å; F76-W90 HydrophobicContact CE1-CH2 3.97Å; F76-W90 AromaticContact CE1-CZ3 3.63Å; F76-W90 HydrophobicContact CE1-CZ3 3.63Å; F76-W90 HydrophobicContact CG-CE3 4.08Å; F76-W90 HydrophobicContact CG-CH2 4.34Å; F76-W90 AromaticContact CG-CZ3 3.52Å; F76-W90 HydrophobicContact CG-CZ3 3.52Å; S86-W90 WeakPolarHBondContact O-CB 3.44Å; S86-W90 PolarHBondContact O-N 3.1Å; L87-W90 PolarHBondContact O-N 3.35Å; N88-W90 VanDerWaalsContact C-N 3.3Å; N88-W90 PolarHBondContact O-N 3.11Å; W90-I92 PolarHBondContact O-N 3.25Å; W90-V93 PolarHBondContact O-N 3.22Å; W90-C94 PolarHBondContact NE1-SG 2.7Å; W90-C94 PolarHBondContact O-N 3.16Å; W90-C94 PolarHBondContact O-SG 3.04Å; W90-C94 VanDerWaalsContact O-SG 3.36Å
91F92Very high88.9Confident8 Ų850.4 Ų50.44%0.03525%0.248CC..Hα-helixtrans-61.5-42.5-177.6-176.8-124.4000112.6L87 N88 C94 S95 V179 L183 F191 F213 Y216L87-F91 WeakPolarHBondContact O-CB 3.46Å; L87-F91 PolarHBondContact O-N 3.43Å; N88-F91 PolarHBondContact O-N 3.17Å; F91-C94 PolarHBondContact O-N 3.07Å; F91-S95 WeakPolarHBondContact O-CB 3.22Å; F91-S95 PolarHBondContact O-N 3.49Å; F91-S95 PolarHBondContact O-OG 2.67Å; F91-V179 HydrophobicContact CD1-CG1 3.74Å; F91-V179 HydrophobicContact CE1-CB 4.47Å; F91-V179 HydrophobicContact CE1-CG1 3.3Å; F91-V179 HydrophobicContact CE1-CG2 4.44Å; F91-V179 HydrophobicContact CZ-CG1 4.12Å; F91-V179 HydrophobicContact CZ-CG2 4.49Å; F91-L183 HydrophobicContact CD1-CD1 4.13Å; F91-L183 HydrophobicContact CE1-CD1 4.23Å; F91-L183 HydrophobicContact CE1-CD2 4.33Å; F91-L183 HydrophobicContact CE1-CG 4.41Å; F91-F191 HydrophobicContact CB-CB 4.1Å; F91-F191 HydrophobicContact CB-CD1 3.75Å; F91-F191 HydrophobicContact CB-CD2 4.23Å; F91-F191 HydrophobicContact CB-CE1 4.22Å; F91-F191 HydrophobicContact CB-CG 3.75Å; F91-F191 HydrophobicContact CD1-CB 3.87Å; F91-F191 HydrophobicContact CD1-CD1 4.45Å; F91-F191 AromaticContact CD1-CD2 3.41Å; F91-F191 HydrophobicContact CD1-CD2 3.41Å; F91-F191 VanDerWaalsContact CD1-CD2 3.41Å; F91-F191 HydrophobicContact CD1-CE2 4.05Å; F91-F191 AromaticContact CD1-CG 3.65Å; F91-F191 HydrophobicContact CD1-CG 3.65Å; F91-F191 HydrophobicContact CD2-CD1 4.26Å; F91-F191 AromaticContact CD2-CD2 3.75Å; F91-F191 HydrophobicContact CD2-CD2 3.75Å; F91-F191 HydrophobicContact CD2-CE1 4.06Å; F91-F191 AromaticContact CD2-CE2 3.52Å; F91-F191 HydrophobicContact CD2-CE2 3.52Å; F91-F191 HydrophobicContact CD2-CG 4.11Å; F91-F191 AromaticContact CD2-CZ 3.69Å; F91-F191 HydrophobicContact CD2-CZ 3.69Å; F91-F191 AromaticContact CE1-CD2 3.49Å; F91-F191 HydrophobicContact CE1-CD2 3.49Å; F91-F191 VanDerWaalsContact CE1-CD2 3.49Å; F91-F191 AromaticContact CE1-CE2 3.93Å; F91-F191 HydrophobicContact CE1-CE2 3.93Å; F91-F191 HydrophobicContact CE1-CG 4.2Å; F91-F191 AromaticContact CE2-CD2 3.87Å; F91-F191 HydrophobicContact CE2-CD2 3.87Å; F91-F191 AromaticContact CE2-CE2 3.46Å; F91-F191 HydrophobicContact CE2-CE2 3.46Å; F91-F191 VanDerWaalsContact CE2-CE2 3.46Å; F91-F191 AromaticContact CE2-CZ 3.95Å; F91-F191 HydrophobicContact CE2-CZ 3.95Å; F91-F191 HydrophobicContact CG-CB 4.15Å; F91-F191 AromaticContact CG-CD1 3.93Å; F91-F191 HydrophobicContact CG-CD1 3.93Å; F91-F191 AromaticContact CG-CD2 3.53Å; F91-F191 HydrophobicContact CG-CD2 3.53Å; F91-F191 HydrophobicContact CG-CE1 4.21Å; F91-F191 AromaticContact CG-CE2 3.84Å; F91-F191 HydrophobicContact CG-CE2 3.84Å; F91-F191 AromaticContact CG-CG 3.58Å; F91-F191 HydrophobicContact CG-CG 3.58Å; F91-F191 HydrophobicContact CG-CZ 4.17Å; F91-F191 AromaticContact CZ-CD2 3.75Å; F91-F191 HydrophobicContact CZ-CD2 3.75Å; F91-F191 AromaticContact CZ-CE2 3.68Å; F91-F191 HydrophobicContact CZ-CE2 3.68Å; F91-F213 HydrophobicContact CE1-CD1 4.25Å; F91-F213 AromaticContact CE1-CE1 3.72Å; F91-F213 HydrophobicContact CE1-CE1 3.72Å; F91-F213 HydrophobicContact CE1-CE2 4.36Å; F91-F213 AromaticContact CE1-CZ 3.79Å; F91-F213 HydrophobicContact CE1-CZ 3.79Å; F91-F213 HydrophobicContact CZ-CD1 4Å; F91-F213 HydrophobicContact CZ-CD2 4.05Å; F91-F213 AromaticContact CZ-CE1 3.83Å; F91-F213 HydrophobicContact CZ-CE1 3.83Å; F91-F213 AromaticContact CZ-CE2 3.91Å; F91-F213 HydrophobicContact CZ-CE2 3.91Å; F91-F213 HydrophobicContact CZ-CG 4.1Å; F91-F213 AromaticContact CZ-CZ 3.79Å; F91-F213 HydrophobicContact CZ-CZ 3.79Å; F91-Y216 AromaticContact CE2-CE2 3.65Å; F91-Y216 HydrophobicContact CE2-CE2 3.65Å; F91-Y216 AromaticContact CE2-CZ 3.71Å; F91-Y216 VanDerWaalsContact CE2-OH 3.32Å; F91-Y216 WeakPolarHBondContact CE2-OH 3.43Å; F91-Y216 AromaticContact CZ-CE2 3.82Å; F91-Y216 HydrophobicContact CZ-CE2 3.82Å
92I91.1Very high88Confident4 Ų455.7 Ų55.72%0.02127%0.266CS..Hα-helixtrans-61.1-47.4175.5-68.5-69.1000111N88 W90 C94 S95 M96 F131 W146 V179N88-I92 WeakPolarHBondContact O-CB 3.33Å; N88-I92 VanDerWaalsContact O-CG1 3.28Å; N88-I92 WeakPolarHBondContact O-CG1 3.3Å; N88-I92 PolarHBondContact O-N 3.44Å; W90-I92 PolarHBondContact O-N 3.25Å; I92-C94 VanDerWaalsContact C-N 3.34Å; I92-C94 PolarHBondContact O-N 2.77Å; I92-S95 WeakPolarHBondContact O-CB 3.28Å; I92-S95 PolarHBondContact O-N 3.32Å; I92-M96 HydrophobicContact CG2-CE 3.62Å; I92-M96 WeakPolarHBondContact O-CE 3.34Å; I92-M96 PolarHBondContact O-N 3.31Å; I92-F131 HydrophobicContact CG2-CE2 4.16Å; I92-W146 HydrophobicContact CD1-CG 4.48Å; I92-W146 HydrophobicContact CG2-CZ2 4.14Å; I92-V179 HydrophobicContact CD1-CG1 3.88Å
93V90.3Very high86.8Confident1 Ų156.5 Ų56.51%0.00627%0.271CS..Hα-helixtrans-62.5-41.8177.61710000111.5F76 R89 W90 S95 M96 S97 A124 M128 F131F76-V93 HydrophobicContact CE1-CB 4.5Å; F76-V93 HydrophobicContact CE1-CG1 3.84Å; F76-V93 HydrophobicContact CZ-CG1 4.08Å; R89-V93 WeakPolarHBondContact O-CG2 3.09Å; R89-V93 PolarHBondContact O-N 3Å; R89-V93 VanDerWaalsContact O-N 3.11Å; W90-V93 PolarHBondContact O-N 3.22Å; V93-S95 VanDerWaalsContact C-N 3.3Å; V93-S95 PolarHBondContact O-N 3.11Å; V93-M96 CarbonylContact O-C 3.24Å; V93-M96 PolarHBondContact O-N 3.2Å; V93-M96 VanDerWaalsContact O-N 3.1Å; V93-S97 PolarHBondContact O-N 3.5Å; V93-S97 VanDerWaalsContact O-N 3.14Å; V93-A124 HydrophobicContact CG1-CB 4.39Å; V93-M128 HydrophobicContact CB-CE 3.98Å; V93-M128 HydrophobicContact CG1-CE 4.19Å; V93-M128 HydrophobicContact CG2-CE 3.56Å; V93-M128 HydrophobicContact CG2-SD 4.19Å; V93-F131 HydrophobicContact CG2-CD2 3.42Å; V93-F131 VanDerWaalsContact CG2-CD2 3.42Å; V93-F131 HydrophobicContact CG2-CE2 3.55Å
94C89.7Confident85.8Confident47 Ų4758.5 Ų58.532%0.31828%0.276SS..Hα-helixtrans-60.1-40.2174.5-72.70000112.1W90 F91 I92 M96 S97W90-C94 PolarHBondContact NE1-SG 2.7Å; W90-C94 PolarHBondContact O-N 3.16Å; W90-C94 PolarHBondContact O-SG 3.04Å; W90-C94 VanDerWaalsContact O-SG 3.36Å; F91-C94 PolarHBondContact O-N 3.07Å; I92-C94 VanDerWaalsContact C-N 3.34Å; I92-C94 PolarHBondContact O-N 2.77Å; C94-M96 PolarHBondContact O-N 3.04Å; C94-M96 VanDerWaalsContact O-N 3.11Å; C94-S97 WeakPolarHBondContact O-CB 3.3Å; C94-S97 PolarHBondContact O-N 3.22Å
95S92Very high85Confident6 Ų656.8 Ų56.84%0.04228%0.276CS..Hα-helixtrans-62.9-16.3177.1-56.20000113.1F91 I92 V93 F98 Y216F91-S95 WeakPolarHBondContact O-CB 3.22Å; F91-S95 PolarHBondContact O-N 3.49Å; F91-S95 PolarHBondContact O-OG 2.67Å; I92-S95 WeakPolarHBondContact O-CB 3.28Å; I92-S95 PolarHBondContact O-N 3.32Å; V93-S95 VanDerWaalsContact C-N 3.3Å; V93-S95 PolarHBondContact O-N 3.11Å; S95-F98 WeakPolarHBondContact O-CE1 3.5Å; S95-Y216 WeakPolarHBondContact CA-OH 3.45Å; S95-Y216 PolarHBondContact N-OH 2.94Å; S95-Y216 PolarHBondContact OG-OH 3.48Å
96M90.4Very high84.4Confident0 Ų057.5 Ų57.50%029%0.289CS..THydrogen-bonded Turntrans-1137.3176.2-65.6-179.3-71.100112.6I92 V93 C94 F98 L127 F131 F154 I158 R172 M176I92-M96 HydrophobicContact CG2-CE 3.62Å; I92-M96 WeakPolarHBondContact O-CE 3.34Å; I92-M96 PolarHBondContact O-N 3.31Å; V93-M96 CarbonylContact O-C 3.24Å; V93-M96 PolarHBondContact O-N 3.2Å; V93-M96 VanDerWaalsContact O-N 3.1Å; C94-M96 PolarHBondContact O-N 3.04Å; C94-M96 VanDerWaalsContact O-N 3.11Å; M96-F98 PolarHBondContact O-N 3.46Å; M96-L127 HydrophobicContact CB-CD1 3.81Å; M96-F131 HydrophobicContact CE-CE2 3.35Å; M96-F131 HydrophobicContact CE-CZ 3.3Å; M96-F131 HydrophobicContact SD-CZ 4.41Å; M96-F154 HydrophobicContact SD-CE2 3.64Å; M96-F154 HydrophobicContact SD-CZ 3.64Å; M96-I158 HydrophobicContact SD-CD1 4.24Å; M96-R172 HydrophobicContact CB-CB 4.35Å; M96-R172 HydrophobicContact CB-CG 4.14Å; M96-R172 HydrophobicContact CG-CB 3.96Å; M96-R172 HydrophobicContact CG-CG 4.29Å; M96-R172 PolarHBondContact O-NH1 2.98Å; M96-R172 PolarHBondContact O-NH2 2.87Å; M96-R172 HydrophobicContact SD-CB 4.25Å; M96-M176 HydrophobicContact SD-CB 4.47Å
97S88.1Confident83.9Confident53 Ų5359.7 Ų59.737%0.37132%0.317SS..  trans-87.151.7-171.4-173.20000113.2V93 C94 A124V93-S97 PolarHBondContact O-N 3.5Å; V93-S97 VanDerWaalsContact O-N 3.14Å; C94-S97 WeakPolarHBondContact O-CB 3.3Å; C94-S97 PolarHBondContact O-N 3.22Å; S97-A124 WeakPolarHBondContact OG-CB 3.48Å
98F86.1Confident83.4Confident48 Ų4861.7 Ų61.721%0.21133%0.327CS..SBendtrans-133.2152.7-178.660-95.3000112.4S95 M96 F100 M168 E171 R172S95-F98 WeakPolarHBondContact O-CE1 3.5Å; M96-F98 PolarHBondContact O-N 3.46Å; F98-F100 PolarHBondContact O-N 3.27Å; F98-M168 HydrophobicContact CD2-SD 4.29Å; F98-M168 HydrophobicContact CE2-CB 4.05Å; F98-M168 HydrophobicContact CE2-CE 4.28Å; F98-M168 HydrophobicContact CE2-SD 4.26Å; F98-E171 HydrophobicContact CE2-CB 4.24Å; F98-E171 HydrophobicContact CZ-CB 4.23Å; F98-R172 HydrophobicContact CE1-CG 4.09Å; F98-R172 HydrophobicContact CE2-CG 4.11Å; F98-R172 HydrophobicContact CZ-CB 4.39Å; F98-R172 HydrophobicContact CZ-CG 3.64Å; F98-R172 PolarHBondContact O-NH2 3.49Å
99S81.1Confident82.9Confident33 Ų3369.1 Ų69.123%0.23135%0.354CS..  trans51.559.9170.6-54.70000115.7P167 M168S99-P167 VanDerWaalsContact O-CB 3.26Å; S99-P167 WeakPolarHBondContact O-CB 3.17Å; S99-P167 VanDerWaalsContact O-CD 3.31Å; S99-P167 WeakPolarHBondContact O-CD 3.43Å; S99-P167 WeakPolarHBondContact O-CG 3.46Å; S99-M168 WeakPolarHBondContact CB-SD 3.4Å; S99-M168 PolarHBondContact OG-SD 3.35Å
100F82.7Confident82.6Confident46 Ų4674.4 Ų74.420%0.20238%0.378CS..  trans-89.2-4.9174.5-68.4-80.9000114.3F98 G123 A124 L127 P166 R172F98-F100 PolarHBondContact O-N 3.27Å; F100-G123 VanDerWaalsContact CD1-CA 3.43Å; F100-G123 VanDerWaalsContact CE1-O 3.28Å; F100-G123 WeakPolarHBondContact CE1-O 3.41Å; F100-A124 HydrophobicContact CE2-CB 4.21Å; F100-A124 HydrophobicContact CZ-CB 4.17Å; F100-L127 HydrophobicContact CE1-CD1 4.13Å; F100-L127 HydrophobicContact CE1-CD2 4.29Å; F100-L127 HydrophobicContact CE1-CG 4.02Å; F100-L127 HydrophobicContact CZ-CD1 3.83Å; F100-L127 HydrophobicContact CZ-CG 4.12Å; F100-P166 HydrophobicContact CD1-CB 4.38Å; F100-R172 VanDerWaalsContact CE1-CZ 3.49Å; F100-R172 VanDerWaalsContact CE1-NH1 3.29Å
101W73.8Confident82.6Confident146 Ų14670 Ų7055%0.55336%0.361SS*.  trans-92.8140.4-172.9-54.6104000110.9R299W101-R299 HydrophobicContact CH2-CB 4.37Å; W101-R299 HydrophobicContact CH2-CG 4.46Å; W101-R299 HydrophobicContact CZ2-CB 4.42Å
102R69.8Low82.6Confident143 Ų14374 Ų7454%0.5438%0.377SS..  trans-131.4149.7164.9-60.9-163.3-175.6-154.44.5108.8F104 P166 P167R102-F104 PolarHBondContact O-N 3.02Å; R102-P166 PolarHBondContact NH2-O 3.49Å; R102-P167 HydrophobicContact CG-CB 4.4Å; R102-P167 HydrophobicContact CG-CG 3.54Å
103P68.4Low82.7Confident98 Ų9874.5 Ų74.564%0.63638%0.379SS*.  trans-50.8139.6162.5-23.533.4000110.1L105P103-L105 PolarHBondContact O-N 3.16Å; P103-L105 VanDerWaalsContact O-N 3.17Å
104F70Confident82.8Confident152 Ų15281.4 Ų81.467%0.66741%0.409SS*.  trans-69.9113.8169.9175.8-98.4000108.1R102R102-F104 PolarHBondContact O-N 3.02Å
105L75.8Confident82.8Confident92 Ų9279.6 Ų79.648%0.48240%0.397SS..  trans-116.3129.1173.1-65.8175.3000108.3P103 G107 I108P103-L105 PolarHBondContact O-N 3.16Å; P103-L105 VanDerWaalsContact O-N 3.17Å; L105-G107 PolarHBondContact O-N 2.87Å; L105-I108 HydrophobicContact CB-CB 4.4Å; L105-I108 HydrophobicContact CB-CD1 3.64Å; L105-I108 HydrophobicContact CB-CG1 3.84Å; L105-I108 HydrophobicContact CD1-CD1 3.61Å; L105-I108 HydrophobicContact CG-CD1 4.19Å; L105-I108 PolarHBondContact O-N 3.26Å; L105-I108 VanDerWaalsContact O-N 3.09Å
106P79.6Confident82.6Confident114 Ų11483.2 Ų83.274%0.7442%0.42SS*.THydrogen-bonded Turntrans-50.1133.9174.6-27.234.9000111.4I108P106-I108 VanDerWaalsContact C-N 3.3Å; P106-I108 PolarHBondContact O-N 3.11Å
107G80.7Confident82.4Confident82 Ų8290 Ų9085%0.84545%0.451SS*.THydrogen-bonded Turntrans85.3-16.9-179.200000115.6L105L105-G107 PolarHBondContact O-N 2.87Å
108I78.8Confident82.4Confident86 Ų8689.4 Ų89.444%0.44145%0.454SS..PPolyproline II helixtrans-80.7123.9175.3-57.3-166.2000110.2L105 P106L105-I108 HydrophobicContact CB-CB 4.4Å; L105-I108 HydrophobicContact CB-CD1 3.64Å; L105-I108 HydrophobicContact CB-CG1 3.84Å; L105-I108 HydrophobicContact CD1-CD1 3.61Å; L105-I108 HydrophobicContact CG-CD1 4.19Å; L105-I108 PolarHBondContact O-N 3.26Å; L105-I108 VanDerWaalsContact O-N 3.09Å; P106-I108 VanDerWaalsContact C-N 3.3Å; P106-I108 PolarHBondContact O-N 3.11Å
109R82.3Confident82.5Confident162 Ų16291.4 Ų91.461%0.61146%0.464SS*.PPolyproline II helixtrans-72.7132.3177.3-63.8-172.4-175.3103.27.2110.3N162 A164R109-N162 WeakPolarHBondContact CD-O 3.32Å; R109-N162 PolarHBondContact NH1-O 2.8Å; R109-A164 HydrophobicContact CB-CB 3.92Å
110K84Confident82.9Confident123 Ų12393.4 Ų93.454%0.53548%0.477SS..PPolyproline II helixtrans-72.2139.7174.6-64.5-179.7-180175.60110.2Y112K110-Y112 HydrophobicContact CB-CD2 3.64Å; K110-Y112 HydrophobicContact CB-CE2 3.29Å; K110-Y112 HydrophobicContact CD-CE2 3.75Å; K110-Y112 HydrophobicContact CG-CE2 4.15Å; K110-Y112 PolarHBondContact O-N 3Å
111Y88.8Confident83.3Confident27 Ų2793.1 Ų93.111%0.10648%0.475CS..  trans-74.8112.6175.2179.6-113.2000110.9I113 A126 I158 A164 P166Y111-I113 HydrophobicContact CE2-CD1 3.9Å; Y111-I113 HydrophobicContact CE2-CG1 4.04Å; Y111-I113 WeakPolarHBondContact OH-CG1 3.37Å; Y111-A126 HydrophobicContact CD1-CB 4.48Å; Y111-A126 HydrophobicContact CE1-CB 3.68Å; Y111-I158 WeakPolarHBondContact CE2-O 3.37Å; Y111-I158 PolarHBondContact OH-O 2.87Å; Y111-A164 WeakPolarHBondContact CD2-O 3Å; Y111-P166 HydrophobicContact CD1-CB 4.05Å; Y111-P166 HydrophobicContact CE1-CB 4.09Å; Y111-P166 HydrophobicContact CE1-CG 4.3Å; Y111-P166 VanDerWaalsContact CE2-CD 3.5Å; Y111-P166 HydrophobicContact CG-CB 4.43Å
112Y91.9Very high84Confident92 Ų9289.6 Ų89.636%0.36146%0.464SS..  trans-142.8143.7172.6-68.8-87.3000109.9K110 W121 K122 S160K110-Y112 HydrophobicContact CB-CD2 3.64Å; K110-Y112 HydrophobicContact CB-CE2 3.29Å; K110-Y112 HydrophobicContact CD-CE2 3.75Å; K110-Y112 HydrophobicContact CG-CE2 4.15Å; K110-Y112 PolarHBondContact O-N 3Å; Y112-W121 CarbonylContact C-O 3.58Å; Y112-W121 VanDerWaalsContact CA-O 3.23Å; Y112-W121 WeakPolarHBondContact CA-O 3.28Å; Y112-W121 WeakPolarHBondContact CD1-O 3.48Å; Y112-K122 HydrophobicContact CD1-CB 3.81Å; Y112-K122 HydrophobicContact CE1-CB 3.74Å; Y112-K122 HydrophobicContact CE1-CD 4.02Å; Y112-K122 HydrophobicContact CE1-CG 4.23Å; Y112-S160 WeakPolarHBondContact O-CB 3.4Å
113I93.2Very high84.9Confident14 Ų1483.5 Ų83.57%0.07245%0.446CS..EExtended strand (participates in β ladder)trans-116135.4174.1-60.1-65.2000108.1Y111 W121 A126 V129 S160Y111-I113 HydrophobicContact CE2-CD1 3.9Å; Y111-I113 HydrophobicContact CE2-CG1 4.04Å; Y111-I113 WeakPolarHBondContact OH-CG1 3.37Å; I113-W121 PolarHBondContact N-O 2.92Å; I113-W121 PolarHBondContact O-N 2.75Å; I113-A126 HydrophobicContact CB-CB 3.94Å; I113-A126 HydrophobicContact CG1-CB 3.73Å; I113-V129 HydrophobicContact CG2-CB 3.9Å; I113-V129 HydrophobicContact CG2-CG1 3.57Å; I113-S160 VanDerWaalsContact CD1-CA 3.48Å
114K91.4Very high85.8Confident145 Ų14579.7 Ų79.763%0.6342%0.422SS*.EExtended strand (participates in β ladder)trans-93.1133.3174-71.1-169.3176.8-169.40109.4H119K114-H119 CarbonylContact C-O 3.59Å; K114-H119 VanDerWaalsContact CA-O 3.24Å; K114-H119 WeakPolarHBondContact CA-O 3.33Å
115D90Very high86.6Confident10 Ų1073.8 Ų73.85%0.05340%0.396CS..  trans-74.5170.71687117.7000111.2H117 G118 H119 W121 V129D115-H117 PolarHBondContact O-N 3.1Å; D115-H117 VanDerWaalsContact O-N 3.14Å; D115-H117 VanDerWaalsContact OD1-C 3.23Å; D115-H117 VanDerWaalsContact OD1-CA 3.28Å; D115-H117 WeakPolarHBondContact OD1-CA 3.46Å; D115-H117 WeakPolarHBondContact OD1-CB 3.46Å; D115-H117 PolarHBondContact OD1-N 3.34Å; D115-G118 PolarHBondContact O-N 3.44Å; D115-G118 PolarHBondContact OD1-N 2.94Å; D115-H119 PolarHBondContact N-O 3.22Å; D115-H119 IonicContact OD1-CG 3.09Å; D115-H119 PolarHBondContact OD1-N 3.44Å; D115-H119 IonicContact OD1-ND1 3.75Å; D115-H119 VanDerWaalsContact OD2-CB 3.31Å; D115-H119 WeakPolarHBondContact OD2-CB 3.35Å; D115-H119 IonicContact OD2-CG 2.82Å; D115-H119 IonicContact OD2-ND1 4Å; D115-H119 PolarHBondContact OD2-ND1 3.4Å; D115-W121 PolarHBondContact OD2-NE1 2.96Å; D115-V129 HydrophobicContact CB-CG1 4.07Å; D115-V129 HydrophobicContact CB-CG2 4.36Å
116P87.4Confident87.4Confident82 Ų8269.4 Ų69.453%0.53237%0.373SS..THydrogen-bonded Turntrans-60.1-19.5176.4-27.537.1000114.9G118P116-G118 VanDerWaalsContact C-N 3.35Å
117H87.4Confident88Confident141 Ų14164 Ų6465%0.65334%0.338SS*.THydrogen-bonded Turntrans-89.3-3177.7-55.8-65.4000112.7D115D115-H117 PolarHBondContact O-N 3.1Å; D115-H117 VanDerWaalsContact O-N 3.14Å; D115-H117 VanDerWaalsContact OD1-C 3.23Å; D115-H117 VanDerWaalsContact OD1-CA 3.28Å; D115-H117 WeakPolarHBondContact OD1-CA 3.46Å; D115-H117 WeakPolarHBondContact OD1-CB 3.46Å; D115-H117 PolarHBondContact OD1-N 3.34Å
118G88.4Confident88.6Confident42 Ų4260.1 Ų60.143%0.43330%0.298SS..SBendtrans90.30.5177.900000115.1D115 P116D115-G118 PolarHBondContact O-N 3.44Å; D115-G118 PolarHBondContact OD1-N 2.94Å; P116-G118 VanDerWaalsContact C-N 3.35Å
119H88.2Confident89.2Confident90 Ų9056 Ų5642%0.41728%0.277SS..  trans-72.7141.5176.5-46111.4000110.7K114 D115 W121K114-H119 CarbonylContact C-O 3.59Å; K114-H119 VanDerWaalsContact CA-O 3.24Å; K114-H119 WeakPolarHBondContact CA-O 3.33Å; D115-H119 PolarHBondContact N-O 3.22Å; D115-H119 IonicContact OD1-CG 3.09Å; D115-H119 PolarHBondContact OD1-N 3.44Å; D115-H119 IonicContact OD1-ND1 3.75Å; D115-H119 VanDerWaalsContact OD2-CB 3.31Å; D115-H119 WeakPolarHBondContact OD2-CB 3.35Å; D115-H119 IonicContact OD2-CG 2.82Å; D115-H119 IonicContact OD2-ND1 4Å; D115-H119 PolarHBondContact OD2-ND1 3.4Å; H119-W121 HydrophobicContact CB-CZ2 4.4Å
120S89.5Confident89.8Confident74 Ų7448.9 Ų48.952%0.51725%0.252SS..EExtended strand (participates in β ladder)trans-99121.8-178.4-60.90000111.4
121W89.8Confident90.2Very high41 Ų4143.1 Ų43.116%0.15523%0.227CC..EExtended strand (participates in β ladder)trans-109.9152-177.5-5995.5000111.1V75 Y112 I113 D115 H119 K125 A126 V129V75-W121 HydrophobicContact CG1-CD2 3.74Å; V75-W121 VanDerWaalsContact CG1-CE2 3.44Å; V75-W121 HydrophobicContact CG1-CE3 4.05Å; V75-W121 HydrophobicContact CG1-CG 4.39Å; V75-W121 HydrophobicContact CG1-CH2 3.79Å; V75-W121 HydrophobicContact CG1-CZ2 3.47Å; V75-W121 VanDerWaalsContact CG1-CZ2 3.47Å; V75-W121 HydrophobicContact CG1-CZ3 4.07Å; Y112-W121 CarbonylContact C-O 3.58Å; Y112-W121 VanDerWaalsContact CA-O 3.23Å; Y112-W121 WeakPolarHBondContact CA-O 3.28Å; Y112-W121 WeakPolarHBondContact CD1-O 3.48Å; I113-W121 PolarHBondContact N-O 2.92Å; I113-W121 PolarHBondContact O-N 2.75Å; D115-W121 PolarHBondContact OD2-NE1 2.96Å; H119-W121 HydrophobicContact CB-CZ2 4.4Å; W121-K125 HydrophobicContact CB-CB 4.25Å; W121-K125 HydrophobicContact CD2-CB 4.41Å; W121-K125 HydrophobicContact CE3-CB 3.78Å; W121-K125 HydrophobicContact CE3-CD 3.72Å; W121-K125 HydrophobicContact CE3-CG 4.31Å; W121-K125 HydrophobicContact CZ3-CD 3.71Å; W121-A126 HydrophobicContact CB-CB 4.43Å; W121-V129 HydrophobicContact CB-CG2 4.25Å; W121-V129 HydrophobicContact CG-CG2 3.87Å
122K88.6Confident90.3Very high71 Ų7141.8 Ų41.831%0.30922%0.222SC..  trans-136.9168.6176.863.7174.1-176.6172.10110.2Y112 A126Y112-K122 HydrophobicContact CD1-CB 3.81Å; Y112-K122 HydrophobicContact CE1-CB 3.74Å; Y112-K122 HydrophobicContact CE1-CD 4.02Å; Y112-K122 HydrophobicContact CE1-CG 4.23Å; K122-A126 PolarHBondContact O-N 3.44Å
123G88.3Confident90.4Very high16 Ų1640 Ų4017%0.16522%0.218CC..THydrogen-bonded Turntrans67.1-148.3176.700000112.2F100 K125 A126F100-G123 VanDerWaalsContact CD1-CA 3.43Å; F100-G123 VanDerWaalsContact CE1-O 3.28Å; F100-G123 WeakPolarHBondContact CE1-O 3.41Å; G123-K125 PolarHBondContact O-N 2.96Å; G123-A126 WeakPolarHBondContact O-CB 3.31Å; G123-A126 PolarHBondContact O-N 2.89Å; G123-A126 VanDerWaalsContact O-N 3.07Å
124A86.9Confident90.4Very high17 Ų1740.9 Ų40.914%0.1422%0.223CC..Hα-helixtrans-58.4-34.117700000112.7F76 V93 S97 F100 A126 L127 M128F76-A124 HydrophobicContact CZ-CB 4.35Å; V93-A124 HydrophobicContact CG1-CB 4.39Å; S97-A124 WeakPolarHBondContact OG-CB 3.48Å; F100-A124 HydrophobicContact CE2-CB 4.21Å; F100-A124 HydrophobicContact CZ-CB 4.17Å; A124-A126 VanDerWaalsContact C-N 3.27Å; A124-A126 PolarHBondContact O-N 2.87Å; A124-L127 WeakPolarHBondContact O-CB 3.42Å; A124-L127 PolarHBondContact O-N 2.91Å; A124-L127 VanDerWaalsContact O-N 3.12Å; A124-M128 PolarHBondContact O-N 2.92Å
125K88.8Confident90.4Very high29 Ų2935.5 Ų35.513%0.12620%0.201CC..Hα-helixtrans-60.6-36.6176.9-59.8-170.5-174.4-164.30112.1H74 V75 F76 W121 G123 M128 V129H74-K125 VanDerWaalsContact NE2-CE 3.33Å; H74-K125 WeakPolarHBondContact NE2-CE 3.33Å; H74-K125 PolarHBondContact NE2-NZ 3.34Å; H74-K125 VanDerWaalsContact NE2-NZ 3.17Å; V75-K125 HydrophobicContact CG2-CB 3.74Å; V75-K125 HydrophobicContact CG2-CD 4.49Å; V75-K125 HydrophobicContact CG2-CG 3.95Å; F76-K125 HydrophobicContact CE2-CG 4.19Å; W121-K125 HydrophobicContact CB-CB 4.25Å; W121-K125 HydrophobicContact CD2-CB 4.41Å; W121-K125 HydrophobicContact CE3-CB 3.78Å; W121-K125 HydrophobicContact CE3-CD 3.72Å; W121-K125 HydrophobicContact CE3-CG 4.31Å; W121-K125 HydrophobicContact CZ3-CD 3.71Å; G123-K125 PolarHBondContact O-N 2.96Å; K125-M128 PolarHBondContact O-N 3.22Å; K125-V129 WeakPolarHBondContact O-CG2 3.36Å; K125-V129 PolarHBondContact O-N 3.09Å; K125-V129 VanDerWaalsContact O-N 3.07Å
126A92Very high90.5Very high0 Ų040 Ų400%022%0.217CC..Hα-helixtrans-65.5-40.7175.700000112.4Y111 I113 W121 K122 G123 A124 M128 V129 C130Y111-A126 HydrophobicContact CD1-CB 4.48Å; Y111-A126 HydrophobicContact CE1-CB 3.68Å; I113-A126 HydrophobicContact CB-CB 3.94Å; I113-A126 HydrophobicContact CG1-CB 3.73Å; W121-A126 HydrophobicContact CB-CB 4.43Å; K122-A126 PolarHBondContact O-N 3.44Å; G123-A126 WeakPolarHBondContact O-CB 3.31Å; G123-A126 PolarHBondContact O-N 2.89Å; G123-A126 VanDerWaalsContact O-N 3.07Å; A124-A126 VanDerWaalsContact C-N 3.27Å; A124-A126 PolarHBondContact O-N 2.87Å; A126-M128 VanDerWaalsContact C-N 3.33Å; A126-V129 PolarHBondContact O-N 3.34Å; A126-C130 PolarHBondContact O-N 3.37Å; A126-C130 PolarHBondContact O-SG 2.97Å
127L92.4Very high90.8Very high0 Ų041.1 Ų41.10%023%0.225CC..Hα-helixtrans-62.8-43.6174.3-53.1-178.4000111.3M96 F100 A124 V129 C130 F131 I158M96-L127 HydrophobicContact CB-CD1 3.81Å; F100-L127 HydrophobicContact CE1-CD1 4.13Å; F100-L127 HydrophobicContact CE1-CD2 4.29Å; F100-L127 HydrophobicContact CE1-CG 4.02Å; F100-L127 HydrophobicContact CZ-CD1 3.83Å; F100-L127 HydrophobicContact CZ-CG 4.12Å; A124-L127 WeakPolarHBondContact O-CB 3.42Å; A124-L127 PolarHBondContact O-N 2.91Å; A124-L127 VanDerWaalsContact O-N 3.12Å; L127-V129 VanDerWaalsContact C-N 3.28Å; L127-V129 PolarHBondContact O-N 2.93Å; L127-C130 WeakPolarHBondContact O-CB 3.05Å; L127-C130 PolarHBondContact O-N 3.01Å; L127-C130 VanDerWaalsContact O-N 3.16Å; L127-F131 WeakPolarHBondContact O-CG 3.47Å; L127-F131 PolarHBondContact O-N 2.96Å; L127-F131 VanDerWaalsContact O-N 3.08Å; L127-I158 HydrophobicContact CD2-CD1 4.37Å; L127-I158 HydrophobicContact CD2-CG2 3.63Å
128M91.8Very high90.9Very high0 Ų037.5 Ų37.50%023%0.227CC..Hα-helixtrans-61.1-39.6-179.2-174.355.28100111.4V75 F76 R89 V93 A124 K125 A126 F131 N132V75-M128 HydrophobicContact CB-CG 4.26Å; V75-M128 HydrophobicContact CG2-CB 3.95Å; V75-M128 HydrophobicContact CG2-CG 4.02Å; V75-M128 VanDerWaalsContact O-CG 3.31Å; V75-M128 WeakPolarHBondContact O-CG 3.32Å; F76-M128 HydrophobicContact CB-CE 4.21Å; F76-M128 HydrophobicContact CB-CG 4.48Å; F76-M128 HydrophobicContact CD1-CE 3.05Å; F76-M128 HydrophobicContact CD1-CG 4.29Å; F76-M128 HydrophobicContact CD1-SD 4.43Å; F76-M128 HydrophobicContact CD2-CB 4.42Å; F76-M128 HydrophobicContact CD2-CE 4.49Å; F76-M128 HydrophobicContact CD2-CG 4.13Å; F76-M128 HydrophobicContact CE1-CE 3.45Å; F76-M128 VanDerWaalsContact CE1-CE 3.45Å; F76-M128 HydrophobicContact CE2-CB 4.36Å; F76-M128 HydrophobicContact CG-CE 3.69Å; F76-M128 HydrophobicContact CG-CG 4.04Å; F76-M128 HydrophobicContact CZ-CE 4.34Å; R89-M128 HydrophobicContact CG-CE 3.92Å; R89-M128 HydrophobicContact CG-SD 3.89Å; V93-M128 HydrophobicContact CB-CE 3.98Å; V93-M128 HydrophobicContact CG1-CE 4.19Å; V93-M128 HydrophobicContact CG2-CE 3.56Å; V93-M128 HydrophobicContact CG2-SD 4.19Å; A124-M128 PolarHBondContact O-N 2.92Å; K125-M128 PolarHBondContact O-N 3.22Å; A126-M128 VanDerWaalsContact C-N 3.33Å; M128-F131 PolarHBondContact O-N 3.02Å; M128-N132 PolarHBondContact O-N 3.25Å; M128-N132 PolarHBondContact O-ND2 2.81Å
129V93Very high91Very high1 Ų138.2 Ų38.21%0.00622%0.224CC..Hα-helixtrans-60.4-46.4174174.90000111.6V75 I113 D115 W121 K125 A126 L127 F131 N132 D133V75-V129 HydrophobicContact CB-CG2 4.19Å; V75-V129 HydrophobicContact CG1-CG2 3.81Å; I113-V129 HydrophobicContact CG2-CB 3.9Å; I113-V129 HydrophobicContact CG2-CG1 3.57Å; D115-V129 HydrophobicContact CB-CG1 4.07Å; D115-V129 HydrophobicContact CB-CG2 4.36Å; W121-V129 HydrophobicContact CB-CG2 4.25Å; W121-V129 HydrophobicContact CG-CG2 3.87Å; K125-V129 WeakPolarHBondContact O-CG2 3.36Å; K125-V129 PolarHBondContact O-N 3.09Å; K125-V129 VanDerWaalsContact O-N 3.07Å; A126-V129 PolarHBondContact O-N 3.34Å; L127-V129 VanDerWaalsContact C-N 3.28Å; L127-V129 PolarHBondContact O-N 2.93Å; V129-F131 PolarHBondContact O-N 2.96Å; V129-N132 PolarHBondContact O-N 3.4Å; V129-D133 PolarHBondContact O-N 3.13Å
130C93.3Very high90.9Very high11 Ų1136.9 Ų36.97%0.07423%0.229CC..Hα-helixtrans-55.5-40.6175.3-66.50000112A126 L127 D133 L134 I157A126-C130 PolarHBondContact O-N 3.37Å; A126-C130 PolarHBondContact O-SG 2.97Å; L127-C130 WeakPolarHBondContact O-CB 3.05Å; L127-C130 PolarHBondContact O-N 3.01Å; L127-C130 VanDerWaalsContact O-N 3.16Å; C130-D133 PolarHBondContact O-N 2.99Å; C130-L134 PolarHBondContact O-N 3.36Å; C130-I157 HydrophobicContact CB-CG2 4.27Å; C130-I157 PolarHBondContact SG-O 3.35Å; C130-I157 VanDerWaalsContact SG-O 3.36Å
131F92.5Very high90.8Very high2 Ų234.3 Ų34.31%0.00921%0.209CC..Hα-helixtrans-75.8-35.2-178.7-64.7-9.4000112.8I92 V93 M96 L127 M128 V129 D133 L134 L135 L141 W146 I157 I158I92-F131 HydrophobicContact CG2-CE2 4.16Å; V93-F131 HydrophobicContact CG2-CD2 3.42Å; V93-F131 VanDerWaalsContact CG2-CD2 3.42Å; V93-F131 HydrophobicContact CG2-CE2 3.55Å; M96-F131 HydrophobicContact CE-CE2 3.35Å; M96-F131 HydrophobicContact CE-CZ 3.3Å; M96-F131 HydrophobicContact SD-CZ 4.41Å; L127-F131 WeakPolarHBondContact O-CG 3.47Å; L127-F131 PolarHBondContact O-N 2.96Å; L127-F131 VanDerWaalsContact O-N 3.08Å; M128-F131 PolarHBondContact O-N 3.02Å; V129-F131 PolarHBondContact O-N 2.96Å; F131-D133 VanDerWaalsContact C-N 3.27Å; F131-D133 PolarHBondContact O-N 3.41Å; F131-L134 HydrophobicContact CD1-CD1 4.35Å; F131-L134 WeakPolarHBondContact O-CB 3.15Å; F131-L134 PolarHBondContact O-N 3.28Å; F131-L135 VanDerWaalsContact O-CG 3.28Å; F131-L135 WeakPolarHBondContact O-CG 3.3Å; F131-L135 PolarHBondContact O-N 3.28Å; F131-L141 HydrophobicContact CB-CD1 3.67Å; F131-L141 HydrophobicContact CG-CD1 4.17Å; F131-W146 AromaticContact CD1-CH2 3.92Å; F131-W146 HydrophobicContact CD1-CH2 3.92Å; F131-W146 HydrophobicContact CD1-CZ2 4.48Å; F131-W146 HydrophobicContact CD2-CZ2 4.49Å; F131-W146 AromaticContact CE1-CH2 3.55Å; F131-W146 HydrophobicContact CE1-CH2 3.55Å; F131-W146 HydrophobicContact CE1-CZ2 4.33Å; F131-W146 HydrophobicContact CE1-CZ3 4.38Å; F131-W146 HydrophobicContact CE2-CH2 4.26Å; F131-W146 HydrophobicContact CE2-CZ2 4.31Å; F131-W146 HydrophobicContact CG-CH2 4.46Å; F131-W146 AromaticContact CZ-CH2 3.74Å; F131-W146 HydrophobicContact CZ-CH2 3.74Å; F131-W146 HydrophobicContact CZ-CZ2 4.24Å; F131-I157 HydrophobicContact CD1-CG2 4.27Å; F131-I157 HydrophobicContact CE1-CG2 4.13Å; F131-I158 HydrophobicContact CE1-CD1 4.45Å; F131-I158 HydrophobicContact CE1-CG1 4.27Å; F131-I158 HydrophobicContact CZ-CD1 4.38Å
132N92.6Very high90.9Very high0 Ų035.2 Ų35.20%022%0.217CC..Hα-helixtrans-61.6-38.5171.1-70-22.3000111.7V75 V79 R89 M128 V129 L135 R136V75-N132 PolarHBondContact O-ND2 3.31Å; V79-N132 HydrophobicContact CG2-CB 3.75Å; R89-N132 PolarHBondContact NH1-OD1 2.9Å; R89-N132 VanDerWaalsContact NH1-OD1 3.16Å; M128-N132 PolarHBondContact O-N 3.25Å; M128-N132 PolarHBondContact O-ND2 2.81Å; V129-N132 PolarHBondContact O-N 3.4Å; N132-L135 PolarHBondContact O-N 2.79Å; N132-R136 VanDerWaalsContact O-CG 3.27Å; N132-R136 WeakPolarHBondContact O-CG 3.35Å; N132-R136 PolarHBondContact O-N 2.87Å
133D93Very high91.2Very high55 Ų5532 Ų3229%0.29420%0.204SC..Hα-helixtrans-65.3-40.1175.8-68.9-16.6000111.6V129 C130 F131 R136 C137V129-D133 PolarHBondContact O-N 3.13Å; C130-D133 PolarHBondContact O-N 2.99Å; F131-D133 VanDerWaalsContact C-N 3.27Å; F131-D133 PolarHBondContact O-N 3.41Å; D133-R136 PolarHBondContact O-N 3.4Å; D133-R136 IonicContact OD1-CZ 3.84Å; D133-R136 IonicContact OD1-NH1 3.93Å; D133-R136 PolarHBondContact OD1-NH1 3.02Å; D133-C137 PolarHBondContact O-N 2.84Å; D133-C137 VanDerWaalsContact O-N 3.1Å; D133-C137 PolarHBondContact O-SG 3.34Å; D133-C137 VanDerWaalsContact O-SG 3.36Å
134L92.5Very high91.5Very high32 Ų3235.8 Ų35.817%0.16822%0.218CC..Hα-helixtrans-61.9-42.9171.9-71.3-179.2000113C130 F131 R136 C137 G138 C139 L141 I157C130-L134 PolarHBondContact O-N 3.36Å; F131-L134 HydrophobicContact CD1-CD1 4.35Å; F131-L134 WeakPolarHBondContact O-CB 3.15Å; F131-L134 PolarHBondContact O-N 3.28Å; L134-R136 VanDerWaalsContact C-N 3.34Å; L134-R136 PolarHBondContact O-N 3.35Å; L134-C137 CarbonylContact O-C 3.5Å; L134-C137 WeakPolarHBondContact O-CA 3.32Å; L134-C137 WeakPolarHBondContact O-CB 3.33Å; L134-C137 PolarHBondContact O-N 3.41Å; L134-C137 VanDerWaalsContact O-N 3.11Å; L134-G138 PolarHBondContact O-N 2.92Å; L134-C139 HydrophobicContact CB-CB 4.08Å; L134-C139 WeakPolarHBondContact O-CB 3.35Å; L134-C139 PolarHBondContact O-N 2.87Å; L134-L141 HydrophobicContact CB-CD1 4.5Å; L134-L141 HydrophobicContact CB-CD2 4.09Å; L134-L141 HydrophobicContact CD1-CD2 3.84Å; L134-I157 HydrophobicContact CD1-CB 4.44Å; L134-I157 HydrophobicContact CD1-CD1 3.82Å; L134-I157 HydrophobicContact CD1-CG1 4.04Å; L134-I157 HydrophobicContact CD1-CG2 3.55Å; L134-I157 HydrophobicContact CD2-CD1 4.5Å; L134-I157 HydrophobicContact CD2-CG1 4.26Å; L134-I157 HydrophobicContact CG-CG2 4.22Å
135L92.7Very high91.9Very high31 Ų3136.3 Ų36.316%0.16222%0.222CC..Hα-helixtrans-64-39.6177.7-70.7163000111.7V79 L81 F131 N132 C137 G138 L141V79-L135 HydrophobicContact CG1-CB 4.12Å; V79-L135 HydrophobicContact CG1-CD1 4.43Å; L81-L135 HydrophobicContact CD1-CD1 3.86Å; L81-L135 HydrophobicContact CD1-CD2 4.37Å; L81-L135 HydrophobicContact CD2-CD2 4.3Å; F131-L135 VanDerWaalsContact O-CG 3.28Å; F131-L135 WeakPolarHBondContact O-CG 3.3Å; F131-L135 PolarHBondContact O-N 3.28Å; N132-L135 PolarHBondContact O-N 2.79Å; L135-C137 PolarHBondContact O-N 3.34Å; L135-G138 PolarHBondContact O-N 3.48Å; L135-L141 HydrophobicContact CD1-CD1 3.98Å; L135-L141 HydrophobicContact CD2-CB 4.38Å; L135-L141 HydrophobicContact CD2-CD1 3.92Å; L135-L141 HydrophobicContact CD2-CG 3.87Å; L135-L141 HydrophobicContact CG-CD1 3.63Å; L135-L141 HydrophobicContact CG-CG 4.09Å
136R91.9Very high92.1Very high106 Ų10635 Ų3540%0.422%0.217SC..Hα-helixtrans-62.4-30.8173.2-72169.9-175.8130.11.9112.2V79 N132 D133 L134 G138V79-R136 HydrophobicContact CG2-CG 4.16Å; N132-R136 VanDerWaalsContact O-CG 3.27Å; N132-R136 WeakPolarHBondContact O-CG 3.35Å; N132-R136 PolarHBondContact O-N 2.87Å; D133-R136 PolarHBondContact O-N 3.4Å; D133-R136 IonicContact OD1-CZ 3.84Å; D133-R136 IonicContact OD1-NH1 3.93Å; D133-R136 PolarHBondContact OD1-NH1 3.02Å; L134-R136 VanDerWaalsContact C-N 3.34Å; L134-R136 PolarHBondContact O-N 3.35Å; R136-G138 PolarHBondContact O-N 2.92Å
137C92.5Very high92.2Very high104 Ų10436 Ų3670%0.70322%0.223SC*.THydrogen-bonded Turntrans-79.41.6172.2-66.40000114D133 L134 L135 C139D133-C137 PolarHBondContact O-N 2.84Å; D133-C137 VanDerWaalsContact O-N 3.1Å; D133-C137 PolarHBondContact O-SG 3.34Å; D133-C137 VanDerWaalsContact O-SG 3.36Å; L134-C137 CarbonylContact O-C 3.5Å; L134-C137 WeakPolarHBondContact O-CA 3.32Å; L134-C137 WeakPolarHBondContact O-CB 3.33Å; L134-C137 PolarHBondContact O-N 3.41Å; L134-C137 VanDerWaalsContact O-N 3.11Å; L135-C137 PolarHBondContact O-N 3.34Å; C137-C139 VanDerWaalsContact C-N 3.31Å
138G90.5Very high92.2Very high66 Ų6641.6 Ų41.668%0.6825%0.252SS*.THydrogen-bonded Turntrans76.714.7-178.900000114.2L134 L135 R136 A140L134-G138 PolarHBondContact O-N 2.92Å; L135-G138 PolarHBondContact O-N 3.48Å; R136-G138 PolarHBondContact O-N 2.92Å; G138-A140 PolarHBondContact O-N 2.96Å
139C90.4Very high92.3Very high56 Ų5642.8 Ų42.838%0.37826%0.258SS..  trans-74.5124.5175.2-58.90000110.4L134 C137 L141L134-C139 HydrophobicContact CB-CB 4.08Å; L134-C139 WeakPolarHBondContact O-CB 3.35Å; L134-C139 PolarHBondContact O-N 2.87Å; C137-C139 VanDerWaalsContact C-N 3.31Å; C139-L141 PolarHBondContact O-N 3.42Å
140A85.2Confident92.5Very high63 Ų6346.1 Ų46.152%0.52128%0.28SS..  trans-69.9125.4173.600000110.6G138 A145G138-A140 PolarHBondContact O-N 2.96Å; A140-A145 WeakPolarHBondContact O-CB 3.4Å
141L87.6Confident92.7Very high19 Ų1948.5 Ų48.510%0.09929%0.289CS..  trans-106.152.3177.5-55.9-172.7000111.5F131 L134 L135 C139 W146F131-L141 HydrophobicContact CB-CD1 3.67Å; F131-L141 HydrophobicContact CG-CD1 4.17Å; L134-L141 HydrophobicContact CB-CD1 4.5Å; L134-L141 HydrophobicContact CB-CD2 4.09Å; L134-L141 HydrophobicContact CD1-CD2 3.84Å; L135-L141 HydrophobicContact CD1-CD1 3.98Å; L135-L141 HydrophobicContact CD2-CB 4.38Å; L135-L141 HydrophobicContact CD2-CD1 3.92Å; L135-L141 HydrophobicContact CD2-CG 3.87Å; L135-L141 HydrophobicContact CG-CD1 3.63Å; L135-L141 HydrophobicContact CG-CG 4.09Å; C139-L141 PolarHBondContact O-N 3.42Å; L141-W146 HydrophobicContact CB-CZ2 3.88Å; L141-W146 HydrophobicContact CD1-CZ2 4.11Å; L141-W146 HydrophobicContact CD2-CH2 3.92Å; L141-W146 HydrophobicContact CD2-CZ2 3.65Å; L141-W146 HydrophobicContact CG-CZ2 4.08Å; L141-W146 PolarHBondContact O-NE1 3.49Å
142N91.8Very high92.9Very high61 Ų6152.5 Ų52.533%0.32632%0.317SS..SBendtrans-99.1169.717864.329000111.8M144 A145 W146N142-M144 PolarHBondContact O-N 2.71Å; N142-M144 WeakPolarHBondContact OD1-CB 3.36Å; N142-M144 PolarHBondContact OD1-N 3.49Å; N142-A145 PolarHBondContact O-N 3.3Å; N142-A145 VanDerWaalsContact O-N 3.14Å; N142-A145 WeakPolarHBondContact OD1-CB 3.5Å; N142-A145 PolarHBondContact OD1-N 3.05Å; N142-W146 PolarHBondContact O-N 2.78Å; N142-W146 VanDerWaalsContact O-N 3.13Å
143A95.6Very high93Very high3 Ų355.5 Ų55.53%0.02534%0.335CS..Hα-helixtrans-56-37.9-178.200000112.8W146 S147 S180 L183 L184 G189A143-W146 PolarHBondContact O-N 3.47Å; A143-S147 VanDerWaalsContact O-CB 3.3Å; A143-S147 WeakPolarHBondContact O-CB 3.28Å; A143-S147 PolarHBondContact O-N 3.04Å; A143-S147 PolarHBondContact O-OG 3.32Å; A143-S180 WeakPolarHBondContact O-CB 3.36Å; A143-L183 HydrophobicContact CB-CB 3.94Å; A143-L183 HydrophobicContact CB-CD1 4.25Å; A143-L184 HydrophobicContact CB-CD2 4.08Å; A143-L184 HydrophobicContact CB-CG 3.88Å; A143-G189 WeakPolarHBondContact CB-O 3.49Å
144M95.2Very high93.1Very high96 Ų9652.9 Ų52.947%0.47332%0.321SS..Hα-helixtrans-59.9-51.2176.5-168.676.2-114.300111.4N142 W146 S147 I148 L184N142-M144 PolarHBondContact O-N 2.71Å; N142-M144 WeakPolarHBondContact OD1-CB 3.36Å; N142-M144 PolarHBondContact OD1-N 3.49Å; M144-W146 VanDerWaalsContact C-N 3.32Å; M144-W146 PolarHBondContact O-N 3.48Å; M144-S147 PolarHBondContact O-N 2.93Å; M144-S147 PolarHBondContact O-OG 3Å; M144-I148 HydrophobicContact CE-CG2 3.54Å; M144-I148 PolarHBondContact O-N 3.09Å; M144-L184 HydrophobicContact CB-CD2 4.36Å; M144-L184 HydrophobicContact SD-CD1 4.44Å; M144-L184 HydrophobicContact SD-CD2 4.43Å
145A93.7Very high93.2Very high27 Ų2756.8 Ų56.822%0.22333%0.334CS..Hα-helixtrans-59.2-42.6-179.600000112.1A140 N142 M149A140-A145 WeakPolarHBondContact O-CB 3.4Å; N142-A145 PolarHBondContact O-N 3.3Å; N142-A145 VanDerWaalsContact O-N 3.14Å; N142-A145 WeakPolarHBondContact OD1-CB 3.5Å; N142-A145 PolarHBondContact OD1-N 3.05Å; A145-M149 WeakPolarHBondContact O-CB 3.49Å; A145-M149 PolarHBondContact O-N 2.92Å
146W93.5Very high93.3Very high2 Ų261.5 Ų61.51%0.00835%0.353CS..Hα-helixtrans-70-38.8178.2-66.4127000113I92 F131 L141 N142 A143 M144 I148 M149 M176 S180I92-W146 HydrophobicContact CD1-CG 4.48Å; I92-W146 HydrophobicContact CG2-CZ2 4.14Å; F131-W146 AromaticContact CD1-CH2 3.92Å; F131-W146 HydrophobicContact CD1-CH2 3.92Å; F131-W146 HydrophobicContact CD1-CZ2 4.48Å; F131-W146 HydrophobicContact CD2-CZ2 4.49Å; F131-W146 AromaticContact CE1-CH2 3.55Å; F131-W146 HydrophobicContact CE1-CH2 3.55Å; F131-W146 HydrophobicContact CE1-CZ2 4.33Å; F131-W146 HydrophobicContact CE1-CZ3 4.38Å; F131-W146 HydrophobicContact CE2-CH2 4.26Å; F131-W146 HydrophobicContact CE2-CZ2 4.31Å; F131-W146 HydrophobicContact CG-CH2 4.46Å; F131-W146 AromaticContact CZ-CH2 3.74Å; F131-W146 HydrophobicContact CZ-CH2 3.74Å; F131-W146 HydrophobicContact CZ-CZ2 4.24Å; L141-W146 HydrophobicContact CB-CZ2 3.88Å; L141-W146 HydrophobicContact CD1-CZ2 4.11Å; L141-W146 HydrophobicContact CD2-CH2 3.92Å; L141-W146 HydrophobicContact CD2-CZ2 3.65Å; L141-W146 HydrophobicContact CG-CZ2 4.08Å; L141-W146 PolarHBondContact O-NE1 3.49Å; N142-W146 PolarHBondContact O-N 2.78Å; N142-W146 VanDerWaalsContact O-N 3.13Å; A143-W146 PolarHBondContact O-N 3.47Å; M144-W146 VanDerWaalsContact C-N 3.32Å; M144-W146 PolarHBondContact O-N 3.48Å; W146-I148 VanDerWaalsContact C-N 3.3Å; W146-I148 PolarHBondContact O-N 2.7Å; W146-M149 HydrophobicContact CE3-CE 3.51Å; W146-M149 HydrophobicContact CE3-SD 3.85Å; W146-M149 HydrophobicContact CZ3-CE 3.5Å; W146-M149 VanDerWaalsContact CZ3-CE 3.5Å; W146-M149 HydrophobicContact CZ3-SD 3.74Å; W146-M149 PolarHBondContact O-N 3.17Å; W146-M176 HydrophobicContact CB-CE 4.19Å; W146-M176 HydrophobicContact CB-CG 3.95Å; W146-M176 HydrophobicContact CB-SD 4.11Å; W146-M176 HydrophobicContact CD2-CG 4.17Å; W146-M176 HydrophobicContact CD2-SD 3.62Å; W146-M176 HydrophobicContact CE3-CE 3.85Å; W146-M176 HydrophobicContact CE3-CG 4.21Å; W146-M176 HydrophobicContact CE3-SD 3.07Å; W146-M176 HydrophobicContact CG-CG 4.11Å; W146-M176 HydrophobicContact CG-SD 4.08Å; W146-M176 HydrophobicContact CZ3-SD 3.61Å; W146-M176 WeakPolarHBondContact O-CE 3.28Å; W146-S180 WeakPolarHBondContact CB-OG 3.2Å
147S93.8Very high93.4Very high20 Ų2057.7 Ų57.714%0.1434%0.341CS..Hα-helixtrans-63.2-33.3-177.970.40000113.8A143 M144A143-S147 VanDerWaalsContact O-CB 3.3Å; A143-S147 WeakPolarHBondContact O-CB 3.28Å; A143-S147 PolarHBondContact O-N 3.04Å; A143-S147 PolarHBondContact O-OG 3.32Å; M144-S147 PolarHBondContact O-N 2.93Å; M144-S147 PolarHBondContact O-OG 3Å
148I93.3Very high93.4Very high118 Ų11852.8 Ų52.861%0.60531%0.307SS*.Hα-helixtrans-96.8-6.6-178.767.9178.5000113.3M144 W146 P150M144-I148 HydrophobicContact CE-CG2 3.54Å; M144-I148 PolarHBondContact O-N 3.09Å; W146-I148 VanDerWaalsContact C-N 3.3Å; W146-I148 PolarHBondContact O-N 2.7Å; I148-P150 VanDerWaalsContact O-CD 3.26Å; I148-P150 WeakPolarHBondContact O-CD 3.23Å
149M94Very high93.5Very high26 Ų2654.2 Ų54.213%0.12829%0.292CS..  trans-67.8119.5-173.8-174.4176.1-66.100111.3A145 W146 V153 F154 I157 W173 M176A145-M149 WeakPolarHBondContact O-CB 3.49Å; A145-M149 PolarHBondContact O-N 2.92Å; W146-M149 HydrophobicContact CE3-CE 3.51Å; W146-M149 HydrophobicContact CE3-SD 3.85Å; W146-M149 HydrophobicContact CZ3-CE 3.5Å; W146-M149 VanDerWaalsContact CZ3-CE 3.5Å; W146-M149 HydrophobicContact CZ3-SD 3.74Å; W146-M149 PolarHBondContact O-N 3.17Å; M149-V153 HydrophobicContact CG-CB 4.05Å; M149-V153 HydrophobicContact CG-CG1 4.05Å; M149-V153 HydrophobicContact SD-CG1 4.23Å; M149-F154 HydrophobicContact CG-CB 4.35Å; M149-F154 HydrophobicContact SD-CB 3.94Å; M149-F154 HydrophobicContact SD-CD2 4.41Å; M149-I157 HydrophobicContact CE-CD1 3.88Å; M149-I157 HydrophobicContact SD-CD1 3.71Å; M149-W173 PolarHBondContact O-NE1 3.01Å; M149-W173 VanDerWaalsContact O-NE1 3.08Å; M149-M176 HydrophobicContact CB-CE 4.41Å
150P96.3Very high93.5Very high70 Ų7051.8 Ų51.846%0.45528%0.276SS..  trans-62.8145.7175-21.733.9000111.7I148 S152 V153 F154I148-P150 VanDerWaalsContact O-CD 3.26Å; I148-P150 WeakPolarHBondContact O-CD 3.23Å; P150-S152 PolarHBondContact O-N 2.79Å; P150-S152 VanDerWaalsContact O-N 3.16Å; P150-V153 HydrophobicContact CB-CG2 4.35Å; P150-V153 HydrophobicContact CG-CG2 4.32Å; P150-V153 PolarHBondContact O-N 3.42Å; P150-F154 PolarHBondContact O-N 2.66Å; P150-F154 VanDerWaalsContact O-N 3.09Å
151F97.3Very high93.5Very high62 Ų6261.2 Ų61.227%0.27230%0.298SS..Hα-helixtrans-54.7-36.7178.9179.5-123.2000113.1V153 F154 R155 M169 E170 W173F151-V153 VanDerWaalsContact C-N 3.31Å; F151-V153 PolarHBondContact O-N 3.49Å; F151-F154 HydrophobicContact CD2-CD1 4.2Å; F151-F154 HydrophobicContact CE2-CD1 4.27Å; F151-F154 PolarHBondContact O-N 3.08Å; F151-R155 WeakPolarHBondContact O-CB 3.45Å; F151-R155 PolarHBondContact O-N 2.61Å; F151-M169 HydrophobicContact CE2-CG 3.86Å; F151-M169 HydrophobicContact CZ-CG 3.97Å; F151-E170 HydrophobicContact CE2-CB 4.34Å; F151-E170 HydrophobicContact CZ-CB 4.19Å; F151-W173 HydrophobicContact CB-CD2 3.93Å; F151-W173 HydrophobicContact CB-CE3 4.25Å; F151-W173 HydrophobicContact CB-CG 4.43Å; F151-W173 HydrophobicContact CB-CH2 4.25Å; F151-W173 HydrophobicContact CB-CZ2 3.93Å; F151-W173 HydrophobicContact CB-CZ3 4.4Å; F151-W173 HydrophobicContact CD2-CB 3.72Å; F151-W173 AromaticContact CD2-CD2 3.75Å; F151-W173 HydrophobicContact CD2-CD2 3.75Å; F151-W173 HydrophobicContact CD2-CE3 4.11Å; F151-W173 AromaticContact CD2-CG 3.59Å; F151-W173 HydrophobicContact CD2-CG 3.59Å; F151-W173 HydrophobicContact CE2-CB 4Å; F151-W173 HydrophobicContact CE2-CG 4.36Å; F151-W173 HydrophobicContact CG-CD2 4.24Å; F151-W173 HydrophobicContact CG-CE3 4.42Å; F151-W173 HydrophobicContact CG-CG 4.47Å
152S96.9Very high93.4Very high86 Ų8663.7 Ų63.760%0.60131%0.311SS*.Hα-helixtrans-61.1-37.5177.254.40000113.1P150 F156P150-S152 PolarHBondContact O-N 2.79Å; P150-S152 VanDerWaalsContact O-N 3.16Å; S152-F156 WeakPolarHBondContact O-CB 3.23Å; S152-F156 PolarHBondContact O-N 2.63Å
153V94.9Very high93.1Very high63 Ų6364.6 Ų64.638%0.38232%0.321SS..Hα-helixtrans-73.7-46.4177.3178.20000110.2M149 P150 F151 R155 F156 I157M149-V153 HydrophobicContact CG-CB 4.05Å; M149-V153 HydrophobicContact CG-CG1 4.05Å; M149-V153 HydrophobicContact SD-CG1 4.23Å; P150-V153 HydrophobicContact CB-CG2 4.35Å; P150-V153 HydrophobicContact CG-CG2 4.32Å; P150-V153 PolarHBondContact O-N 3.42Å; F151-V153 VanDerWaalsContact C-N 3.31Å; F151-V153 PolarHBondContact O-N 3.49Å; V153-R155 VanDerWaalsContact C-N 3.33Å; V153-R155 PolarHBondContact O-N 3.24Å; V153-F156 WeakPolarHBondContact O-CA 3.25Å; V153-F156 WeakPolarHBondContact O-CB 2.95Å; V153-F156 PolarHBondContact O-N 3.11Å; V153-F156 VanDerWaalsContact O-N 3.08Å; V153-I157 HydrophobicContact CG1-CD1 3.87Å; V153-I157 WeakPolarHBondContact O-CD1 3.13Å; V153-I157 WeakPolarHBondContact O-CG1 3.41Å; V153-I157 PolarHBondContact O-N 2.91Å
154F95.1Very high92.9Very high0 Ų064.8 Ų64.80%032%0.323CS..Hα-helixtrans-55.3-48.9174.8174.6-97.2000111.9M96 M149 P150 F151 F156 I157 I158 M169 R172 W173 M176M96-F154 HydrophobicContact SD-CE2 3.64Å; M96-F154 HydrophobicContact SD-CZ 3.64Å; M149-F154 HydrophobicContact CG-CB 4.35Å; M149-F154 HydrophobicContact SD-CB 3.94Å; M149-F154 HydrophobicContact SD-CD2 4.41Å; P150-F154 PolarHBondContact O-N 2.66Å; P150-F154 VanDerWaalsContact O-N 3.09Å; F151-F154 HydrophobicContact CD2-CD1 4.2Å; F151-F154 HydrophobicContact CE2-CD1 4.27Å; F151-F154 PolarHBondContact O-N 3.08Å; F154-F156 VanDerWaalsContact C-N 3.29Å; F154-F156 PolarHBondContact O-N 3.1Å; F154-I157 PolarHBondContact O-N 3.26Å; F154-I158 HydrophobicContact CD1-CD1 4.27Å; F154-I158 HydrophobicContact CD2-CD1 3.94Å; F154-I158 HydrophobicContact CE1-CD1 3.68Å; F154-I158 HydrophobicContact CE2-CD1 3.31Å; F154-I158 HydrophobicContact CE2-CG1 4.43Å; F154-I158 HydrophobicContact CG-CD1 4.4Å; F154-I158 HydrophobicContact CZ-CD1 3.18Å; F154-I158 HydrophobicContact CZ-CG1 4.48Å; F154-I158 PolarHBondContact O-N 2.93Å; F154-I158 VanDerWaalsContact O-N 3.08Å; F154-M169 HydrophobicContact CD1-SD 4.01Å; F154-M169 HydrophobicContact CE1-CG 4.35Å; F154-M169 HydrophobicContact CE1-SD 3.54Å; F154-M169 VanDerWaalsContact CE1-SD 3.54Å; F154-R172 HydrophobicContact CE1-CB 4.31Å; F154-R172 HydrophobicContact CZ-CB 3.96Å; F154-W173 HydrophobicContact CD1-CB 3.67Å; F154-W173 AromaticContact CD1-CD1 3.86Å; F154-W173 HydrophobicContact CD1-CG 4.07Å; F154-W173 HydrophobicContact CE1-CB 3.58Å; F154-W173 HydrophobicContact CE1-CG 4.43Å; F154-W173 HydrophobicContact CG-CB 4.25Å; F154-W173 AromaticContact CG-CD1 3.6Å; F154-W173 HydrophobicContact CG-CG 4.26Å; F154-W173 HydrophobicContact CZ-CB 4.09Å; F154-M176 HydrophobicContact CD2-CE 3.82Å; F154-M176 HydrophobicContact CD2-SD 3.53Å; F154-M176 VanDerWaalsContact CD2-SD 3.53Å; F154-M176 HydrophobicContact CE2-CE 4.17Å; F154-M176 HydrophobicContact CE2-SD 3.45Å; F154-M176 WeakPolarHBondContact CE2-SD 3.36Å
155R95.6Very high92.7Very high114 Ų11462.2 Ų62.243%0.4331%0.31SS..Hα-helixtrans-61-38.2176.2-174178.6-179.9-152.8-6.7111.9F151 V153 R159 E165 M169F151-R155 WeakPolarHBondContact O-CB 3.45Å; F151-R155 PolarHBondContact O-N 2.61Å; V153-R155 VanDerWaalsContact C-N 3.33Å; V153-R155 PolarHBondContact O-N 3.24Å; R155-R159 VanDerWaalsContact O-CB 3.27Å; R155-R159 WeakPolarHBondContact O-CB 3.26Å; R155-R159 VanDerWaalsContact O-CG 3.3Å; R155-R159 WeakPolarHBondContact O-CG 3.46Å; R155-R159 PolarHBondContact O-N 3.25Å; R155-E165 IonicContact CZ-OE1 3.17Å; R155-E165 IonicContact CZ-OE2 3.73Å; R155-E165 IonicContact NE-OE1 2.73Å; R155-E165 PolarHBondContact NE-OE1 3.47Å; R155-E165 IonicContact NE-OE2 3.07Å; R155-E165 PolarHBondContact NE-OE2 3.09Å; R155-E165 VanDerWaalsContact NE-OE2 3.07Å; R155-E165 IonicContact NH2-OE1 2.79Å; R155-E165 PolarHBondContact NH2-OE1 3.45Å; R155-E165 IonicContact NH2-OE2 3.54Å; R155-M169 HydrophobicContact CG-CG 4.43Å
156F94.3Very high92.5Very high130 Ų13061 Ų6157%0.5730%0.3SS*.Hα-helixtrans-64.4-39.2175.8176.5-87.8000112.9S152 V153 F154 R159S152-F156 WeakPolarHBondContact O-CB 3.23Å; S152-F156 PolarHBondContact O-N 2.63Å; V153-F156 WeakPolarHBondContact O-CA 3.25Å; V153-F156 WeakPolarHBondContact O-CB 2.95Å; V153-F156 PolarHBondContact O-N 3.11Å; V153-F156 VanDerWaalsContact O-N 3.08Å; F154-F156 VanDerWaalsContact C-N 3.29Å; F154-F156 PolarHBondContact O-N 3.1Å; F156-R159 WeakPolarHBondContact O-CG 3.48Å
157I93.3Very high92.2Very high26 Ų2661.6 Ų61.613%0.13330%0.304CS..Hα-helixtrans-68.5-45.5179.8-70.9158.6000111.3C130 F131 L134 M149 V153 F154C130-I157 HydrophobicContact CB-CG2 4.27Å; C130-I157 PolarHBondContact SG-O 3.35Å; C130-I157 VanDerWaalsContact SG-O 3.36Å; F131-I157 HydrophobicContact CD1-CG2 4.27Å; F131-I157 HydrophobicContact CE1-CG2 4.13Å; L134-I157 HydrophobicContact CD1-CB 4.44Å; L134-I157 HydrophobicContact CD1-CD1 3.82Å; L134-I157 HydrophobicContact CD1-CG1 4.04Å; L134-I157 HydrophobicContact CD1-CG2 3.55Å; L134-I157 HydrophobicContact CD2-CD1 4.5Å; L134-I157 HydrophobicContact CD2-CG1 4.26Å; L134-I157 HydrophobicContact CG-CG2 4.22Å; M149-I157 HydrophobicContact CE-CD1 3.88Å; M149-I157 HydrophobicContact SD-CD1 3.71Å; V153-I157 HydrophobicContact CG1-CD1 3.87Å; V153-I157 WeakPolarHBondContact O-CD1 3.13Å; V153-I157 WeakPolarHBondContact O-CG1 3.41Å; V153-I157 PolarHBondContact O-N 2.91Å; F154-I157 PolarHBondContact O-N 3.26Å
158I93.6Very high92Very high0 Ų062.7 Ų62.70%031%0.307CS..Hα-helixtrans-84.9-27.1-171.2-64.5-176.5000112.1M96 Y111 L127 F131 F154 P166 M169M96-I158 HydrophobicContact SD-CD1 4.24Å; Y111-I158 WeakPolarHBondContact CE2-O 3.37Å; Y111-I158 PolarHBondContact OH-O 2.87Å; L127-I158 HydrophobicContact CD2-CD1 4.37Å; L127-I158 HydrophobicContact CD2-CG2 3.63Å; F131-I158 HydrophobicContact CE1-CD1 4.45Å; F131-I158 HydrophobicContact CE1-CG1 4.27Å; F131-I158 HydrophobicContact CZ-CD1 4.38Å; F154-I158 HydrophobicContact CD1-CD1 4.27Å; F154-I158 HydrophobicContact CD2-CD1 3.94Å; F154-I158 HydrophobicContact CE1-CD1 3.68Å; F154-I158 HydrophobicContact CE2-CD1 3.31Å; F154-I158 HydrophobicContact CE2-CG1 4.43Å; F154-I158 HydrophobicContact CG-CD1 4.4Å; F154-I158 HydrophobicContact CZ-CD1 3.18Å; F154-I158 HydrophobicContact CZ-CG1 4.48Å; F154-I158 PolarHBondContact O-N 2.93Å; F154-I158 VanDerWaalsContact O-N 3.08Å; I158-P166 HydrophobicContact CG2-CG 3.67Å; I158-M169 HydrophobicContact CB-CE 4.1Å; I158-M169 HydrophobicContact CB-SD 4.26Å; I158-M169 HydrophobicContact CG2-CE 3.81Å; I158-M169 HydrophobicContact CG2-SD 4.16Å
159R92.5Very high91.9Very high96 Ų9657.8 Ų57.836%0.36228%0.282SS..SBendtrans-63.1143.3178.172.3-170.6-175.9164.16.6111.2R155 F156 E165R155-R159 VanDerWaalsContact O-CB 3.27Å; R155-R159 WeakPolarHBondContact O-CB 3.26Å; R155-R159 VanDerWaalsContact O-CG 3.3Å; R155-R159 WeakPolarHBondContact O-CG 3.46Å; R155-R159 PolarHBondContact O-N 3.25Å; F156-R159 WeakPolarHBondContact O-CG 3.48Å; R159-E165 HydrophobicContact CB-CG 3.75Å
160S90.1Very high92Very high6 Ų661.9 Ų61.94%0.04230%0.301CS..  trans-74.4163.9174.3620000112.5Y112 I113 N162 C163 A164Y112-S160 WeakPolarHBondContact O-CB 3.4Å; I113-S160 VanDerWaalsContact CD1-CA 3.48Å; S160-N162 PolarHBondContact O-N 3.02Å; S160-N162 VanDerWaalsContact O-N 3.07Å; S160-N162 PolarHBondContact OG-OD1 3.23Å; S160-C163 WeakPolarHBondContact O-CA 3.48Å; S160-C163 PolarHBondContact O-N 3Å; S160-A164 PolarHBondContact N-O 2.92Å; S160-A164 WeakPolarHBondContact OG-CA 3.36Å; S160-A164 WeakPolarHBondContact OG-CB 3.33Å; S160-A164 PolarHBondContact OG-N 2.81Å; S160-A164 VanDerWaalsContact OG-N 3.07Å; S160-A164 PolarHBondContact OG-O 3.48Å
161R85.7Confident91.8Very high260 Ų26062.1 Ų62.198%0.98130%0.296SS*.THydrogen-bonded Turntrans-56.7-26.1179.5-173173.3176.9175.1-0.1113.8C163R161-C163 VanDerWaalsContact C-N 3.29Å
162N84.5Confident91.7Very high71 Ų7159.2 Ų59.238%0.3828%0.283SS..THydrogen-bonded Turntrans-92.716.3176.771.47.8000113.2R109 S160 A164R109-N162 WeakPolarHBondContact CD-O 3.32Å; R109-N162 PolarHBondContact NH1-O 2.8Å; S160-N162 PolarHBondContact O-N 3.02Å; S160-N162 VanDerWaalsContact O-N 3.07Å; S160-N162 PolarHBondContact OG-OD1 3.23Å; N162-A164 PolarHBondContact O-N 2.75Å; N162-A164 WeakPolarHBondContact OD1-CB 3.42Å; N162-A164 PolarHBondContact OD1-N 3.06Å
163C86.3Confident91.6Very high80 Ų8056.9 Ų56.954%0.54126%0.261SS..SBendtrans63.515.1-177-55.90000115.2S160 R161S160-C163 WeakPolarHBondContact O-CA 3.48Å; S160-C163 PolarHBondContact O-N 3Å; R161-C163 VanDerWaalsContact C-N 3.29Å
164A90.4Very high91.6Very high8 Ų857.3 Ų57.37%0.06626%0.262CS..  trans-74.8141.9169.400000110.4R109 Y111 S160 N162R109-A164 HydrophobicContact CB-CB 3.92Å; Y111-A164 WeakPolarHBondContact CD2-O 3Å; S160-A164 PolarHBondContact N-O 2.92Å; S160-A164 WeakPolarHBondContact OG-CA 3.36Å; S160-A164 WeakPolarHBondContact OG-CB 3.33Å; S160-A164 PolarHBondContact OG-N 2.81Å; S160-A164 VanDerWaalsContact OG-N 3.07Å; S160-A164 PolarHBondContact OG-O 3.48Å; N162-A164 PolarHBondContact O-N 2.75Å; N162-A164 WeakPolarHBondContact OD1-CB 3.42Å; N162-A164 PolarHBondContact OD1-N 3.06Å
165E91.3Very high91.6Very high42 Ų4258.3 Ų58.320%0.19627%0.268CS..  trans-123.6147-178-73.5172.9-153.800110R155 R159 M169R155-E165 IonicContact CZ-OE1 3.17Å; R155-E165 IonicContact CZ-OE2 3.73Å; R155-E165 IonicContact NE-OE1 2.73Å; R155-E165 PolarHBondContact NE-OE1 3.47Å; R155-E165 IonicContact NE-OE2 3.07Å; R155-E165 PolarHBondContact NE-OE2 3.09Å; R155-E165 VanDerWaalsContact NE-OE2 3.07Å; R155-E165 IonicContact NH2-OE1 2.79Å; R155-E165 PolarHBondContact NH2-OE1 3.45Å; R155-E165 IonicContact NH2-OE2 3.54Å; R159-E165 HydrophobicContact CB-CG 3.75Å; E165-M169 HydrophobicContact CB-CE 3.7Å; E165-M169 HydrophobicContact CG-CE 3.71Å
166P89.8Confident91.5Very high1 Ų152.9 Ų52.91%0.00625%0.248CC..  trans-58.6155.2167.728-36.7000110.7F100 R102 Y111 I158 M169F100-P166 HydrophobicContact CD1-CB 4.38Å; R102-P166 PolarHBondContact NH2-O 3.49Å; Y111-P166 HydrophobicContact CD1-CB 4.05Å; Y111-P166 HydrophobicContact CE1-CB 4.09Å; Y111-P166 HydrophobicContact CE1-CG 4.3Å; Y111-P166 VanDerWaalsContact CE2-CD 3.5Å; Y111-P166 HydrophobicContact CG-CB 4.43Å; I158-P166 HydrophobicContact CG2-CG 3.67Å; P166-M169 VanDerWaalsContact CD-CE 3.43Å; P166-M169 HydrophobicContact CG-CE 3.68Å; P166-M169 HydrophobicContact CG-SD 4.33Å
167P87.1Confident91.6Very high15 Ų1551.8 Ų51.810%0.09724%0.24CC..SBendtrans-57.1156.3164.6-12.526.6000111.4S99 R102 M169 R172S99-P167 VanDerWaalsContact O-CB 3.26Å; S99-P167 WeakPolarHBondContact O-CB 3.17Å; S99-P167 VanDerWaalsContact O-CD 3.31Å; S99-P167 WeakPolarHBondContact O-CD 3.43Å; S99-P167 WeakPolarHBondContact O-CG 3.46Å; R102-P167 HydrophobicContact CG-CB 4.4Å; R102-P167 HydrophobicContact CG-CG 3.54Å; P167-M169 PolarHBondContact O-N 3.12Å; P167-R172 PolarHBondContact O-NE 3.45Å; P167-R172 VanDerWaalsContact O-NE 3.17Å
168M89.9Confident91.7Very high42 Ų4253.5 Ų53.521%0.20725%0.247CC..  trans57.546.8170.9-53.8-173.471.500113F98 S99 E171 R172 F232F98-M168 HydrophobicContact CD2-SD 4.29Å; F98-M168 HydrophobicContact CE2-CB 4.05Å; F98-M168 HydrophobicContact CE2-CE 4.28Å; F98-M168 HydrophobicContact CE2-SD 4.26Å; S99-M168 WeakPolarHBondContact CB-SD 3.4Å; S99-M168 PolarHBondContact OG-SD 3.35Å; M168-E171 WeakPolarHBondContact CA-OE2 3.46Å; M168-E171 HydrophobicContact CB-CB 4.13Å; M168-E171 HydrophobicContact CB-CG 4.32Å; M168-E171 WeakPolarHBondContact CB-OE2 3.39Å; M168-E171 HydrophobicContact CE-CB 4.13Å; M168-E171 HydrophobicContact CE-CG 3.75Å; M168-R172 WeakPolarHBondContact O-CD 3.35Å; M168-R172 VanDerWaalsContact O-CG 3.24Å; M168-R172 WeakPolarHBondContact O-CG 3.2Å; M168-R172 PolarHBondContact O-N 3.38Å; M168-F232 HydrophobicContact CE-CD1 3.23Å; M168-F232 HydrophobicContact CE-CE1 3.4Å; M168-F232 HydrophobicContact CE-CG 4.48Å; M168-F232 HydrophobicContact SD-CD1 4.17Å
169M91.7Very high91.8Very high15 Ų1553.5 Ų53.57%0.07425%0.247CC..Hα-helixtrans-65.2-41.2-175.4-178.365.681.300112F151 F154 R155 I158 E165 P166 P167 R172 W173F151-M169 HydrophobicContact CE2-CG 3.86Å; F151-M169 HydrophobicContact CZ-CG 3.97Å; F154-M169 HydrophobicContact CD1-SD 4.01Å; F154-M169 HydrophobicContact CE1-CG 4.35Å; F154-M169 HydrophobicContact CE1-SD 3.54Å; F154-M169 VanDerWaalsContact CE1-SD 3.54Å; R155-M169 HydrophobicContact CG-CG 4.43Å; I158-M169 HydrophobicContact CB-CE 4.1Å; I158-M169 HydrophobicContact CB-SD 4.26Å; I158-M169 HydrophobicContact CG2-CE 3.81Å; I158-M169 HydrophobicContact CG2-SD 4.16Å; E165-M169 HydrophobicContact CB-CE 3.7Å; E165-M169 HydrophobicContact CG-CE 3.71Å; P166-M169 VanDerWaalsContact CD-CE 3.43Å; P166-M169 HydrophobicContact CG-CE 3.68Å; P166-M169 HydrophobicContact CG-SD 4.33Å; P167-M169 PolarHBondContact O-N 3.12Å; M169-R172 PolarHBondContact O-N 3.42Å; M169-W173 PolarHBondContact O-N 3Å; M169-W173 VanDerWaalsContact O-N 3.14Å
170E94.7Very high92.1Very high113 Ų11348.9 Ų48.953%0.52823%0.23SC..Hα-helixtrans-70.4-39.3-179.3-174.8167.5-163.100111F151 R172 W173 N174F151-E170 HydrophobicContact CE2-CB 4.34Å; F151-E170 HydrophobicContact CZ-CB 4.19Å; E170-R172 PolarHBondContact O-N 3.34Å; E170-W173 WeakPolarHBondContact O-CB 3.48Å; E170-W173 PolarHBondContact O-N 2.96Å; E170-N174 VanDerWaalsContact O-CG 3.27Å; E170-N174 PolarHBondContact O-N 3.26Å; E170-N174 PolarHBondContact O-ND2 2.96Å
171E93.5Very high92.4Very high75 Ų7551 Ų5135%0.3524%0.243SC..Hα-helixtrans-62.9-42.9175.9-59.189.8146.200110.9F98 M168 W173 N174 C175F98-E171 HydrophobicContact CE2-CB 4.24Å; F98-E171 HydrophobicContact CZ-CB 4.23Å; M168-E171 WeakPolarHBondContact CA-OE2 3.46Å; M168-E171 HydrophobicContact CB-CB 4.13Å; M168-E171 HydrophobicContact CB-CG 4.32Å; M168-E171 WeakPolarHBondContact CB-OE2 3.39Å; M168-E171 HydrophobicContact CE-CB 4.13Å; M168-E171 HydrophobicContact CE-CG 3.75Å; E171-W173 VanDerWaalsContact C-N 3.32Å; E171-W173 PolarHBondContact O-N 2.93Å; E171-N174 PolarHBondContact O-N 3.49Å; E171-C175 PolarHBondContact O-N 3.19Å; E171-C175 PolarHBondContact O-SG 3.28Å
172R94Very high93Very high0 Ų039.4 Ų39.40%020%0.2CC..Hα-helixtrans-60.4-41.4173.3-71.8160.8178.6-90.9-8.6112.3M96 F98 F100 F154 P167 M168 M169 E170 M176M96-R172 HydrophobicContact CB-CB 4.35Å; M96-R172 HydrophobicContact CB-CG 4.14Å; M96-R172 HydrophobicContact CG-CB 3.96Å; M96-R172 HydrophobicContact CG-CG 4.29Å; M96-R172 PolarHBondContact O-NH1 2.98Å; M96-R172 PolarHBondContact O-NH2 2.87Å; M96-R172 HydrophobicContact SD-CB 4.25Å; F98-R172 HydrophobicContact CE1-CG 4.09Å; F98-R172 HydrophobicContact CE2-CG 4.11Å; F98-R172 HydrophobicContact CZ-CB 4.39Å; F98-R172 HydrophobicContact CZ-CG 3.64Å; F98-R172 PolarHBondContact O-NH2 3.49Å; F100-R172 VanDerWaalsContact CE1-CZ 3.49Å; F100-R172 VanDerWaalsContact CE1-NH1 3.29Å; F154-R172 HydrophobicContact CE1-CB 4.31Å; F154-R172 HydrophobicContact CZ-CB 3.96Å; P167-R172 PolarHBondContact O-NE 3.45Å; P167-R172 VanDerWaalsContact O-NE 3.17Å; M168-R172 WeakPolarHBondContact O-CD 3.35Å; M168-R172 VanDerWaalsContact O-CG 3.24Å; M168-R172 WeakPolarHBondContact O-CG 3.2Å; M168-R172 PolarHBondContact O-N 3.38Å; M169-R172 PolarHBondContact O-N 3.42Å; E170-R172 PolarHBondContact O-N 3.34Å; R172-M176 WeakPolarHBondContact O-CB 3.15Å; R172-M176 PolarHBondContact O-N 2.87Å
173W95.7Very high93.6Very high38 Ų3836.1 Ų36.114%0.14418%0.183CC..Hα-helixtrans-64.9-41.2176.1179.269.3000111.5M149 F151 F154 M169 E170 E171 M176 R177M149-W173 PolarHBondContact O-NE1 3.01Å; M149-W173 VanDerWaalsContact O-NE1 3.08Å; F151-W173 HydrophobicContact CB-CD2 3.93Å; F151-W173 HydrophobicContact CB-CE3 4.25Å; F151-W173 HydrophobicContact CB-CG 4.43Å; F151-W173 HydrophobicContact CB-CH2 4.25Å; F151-W173 HydrophobicContact CB-CZ2 3.93Å; F151-W173 HydrophobicContact CB-CZ3 4.4Å; F151-W173 HydrophobicContact CD2-CB 3.72Å; F151-W173 AromaticContact CD2-CD2 3.75Å; F151-W173 HydrophobicContact CD2-CD2 3.75Å; F151-W173 HydrophobicContact CD2-CE3 4.11Å; F151-W173 AromaticContact CD2-CG 3.59Å; F151-W173 HydrophobicContact CD2-CG 3.59Å; F151-W173 HydrophobicContact CE2-CB 4Å; F151-W173 HydrophobicContact CE2-CG 4.36Å; F151-W173 HydrophobicContact CG-CD2 4.24Å; F151-W173 HydrophobicContact CG-CE3 4.42Å; F151-W173 HydrophobicContact CG-CG 4.47Å; F154-W173 HydrophobicContact CD1-CB 3.67Å; F154-W173 AromaticContact CD1-CD1 3.86Å; F154-W173 HydrophobicContact CD1-CG 4.07Å; F154-W173 HydrophobicContact CE1-CB 3.58Å; F154-W173 HydrophobicContact CE1-CG 4.43Å; F154-W173 HydrophobicContact CG-CB 4.25Å; F154-W173 AromaticContact CG-CD1 3.6Å; F154-W173 HydrophobicContact CG-CG 4.26Å; F154-W173 HydrophobicContact CZ-CB 4.09Å; M169-W173 PolarHBondContact O-N 3Å; M169-W173 VanDerWaalsContact O-N 3.14Å; E170-W173 WeakPolarHBondContact O-CB 3.48Å; E170-W173 PolarHBondContact O-N 2.96Å; E171-W173 VanDerWaalsContact C-N 3.32Å; E171-W173 PolarHBondContact O-N 2.93Å; W173-M176 PolarHBondContact O-N 3.21Å; W173-R177 HydrophobicContact CD2-CG 4.48Å; W173-R177 HydrophobicContact CZ2-CG 4.36Å; W173-R177 WeakPolarHBondContact O-CG 3.37Å; W173-R177 PolarHBondContact O-N 3.46Å
174N95.1Very high94.2Very high72 Ų7235.3 Ų35.339%0.38517%0.173SC..Hα-helixtrans-63.5-45.8175.9-70.8-28000111.7E170 E171 M176 R177 E178E170-N174 VanDerWaalsContact O-CG 3.27Å; E170-N174 PolarHBondContact O-N 3.26Å; E170-N174 PolarHBondContact O-ND2 2.96Å; E171-N174 PolarHBondContact O-N 3.49Å; N174-M176 VanDerWaalsContact C-N 3.31Å; N174-M176 PolarHBondContact O-N 2.98Å; N174-R177 PolarHBondContact O-N 3.18Å; N174-E178 WeakPolarHBondContact O-CB 3.14Å; N174-E178 PolarHBondContact O-N 3.14Å
175C94Very high94.5Very high21 Ų2141.7 Ų41.714%0.14220%0.201CC..Hα-helixtrans-58-44.5174.1-650000111.4E171 R177 E178 V179 C215E171-C175 PolarHBondContact O-N 3.19Å; E171-C175 PolarHBondContact O-SG 3.28Å; C175-R177 PolarHBondContact O-N 3.05Å; C175-E178 PolarHBondContact O-N 2.9Å; C175-V179 VanDerWaalsContact O-CB 3.3Å; C175-V179 WeakPolarHBondContact O-CB 3.49Å; C175-V179 VanDerWaalsContact O-CG2 3.28Å; C175-V179 WeakPolarHBondContact O-CG2 3.32Å; C175-V179 PolarHBondContact O-N 2.92Å; C175-C215 HydrophobicContact CB-CB 4.24Å
176M94.4Very high94.8Very high0 Ų045 Ų450%022%0.215CC..Hα-helixtrans-62.7-42.1178.2-176.8-163.977.500112M96 W146 M149 F154 R172 W173 N174 S180M96-M176 HydrophobicContact SD-CB 4.47Å; W146-M176 HydrophobicContact CB-CE 4.19Å; W146-M176 HydrophobicContact CB-CG 3.95Å; W146-M176 HydrophobicContact CB-SD 4.11Å; W146-M176 HydrophobicContact CD2-CG 4.17Å; W146-M176 HydrophobicContact CD2-SD 3.62Å; W146-M176 HydrophobicContact CE3-CE 3.85Å; W146-M176 HydrophobicContact CE3-CG 4.21Å; W146-M176 HydrophobicContact CE3-SD 3.07Å; W146-M176 HydrophobicContact CG-CG 4.11Å; W146-M176 HydrophobicContact CG-SD 4.08Å; W146-M176 HydrophobicContact CZ3-SD 3.61Å; W146-M176 WeakPolarHBondContact O-CE 3.28Å; M149-M176 HydrophobicContact CB-CE 4.41Å; F154-M176 HydrophobicContact CD2-CE 3.82Å; F154-M176 HydrophobicContact CD2-SD 3.53Å; F154-M176 VanDerWaalsContact CD2-SD 3.53Å; F154-M176 HydrophobicContact CE2-CE 4.17Å; F154-M176 HydrophobicContact CE2-SD 3.45Å; F154-M176 WeakPolarHBondContact CE2-SD 3.36Å; R172-M176 WeakPolarHBondContact O-CB 3.15Å; R172-M176 PolarHBondContact O-N 2.87Å; W173-M176 PolarHBondContact O-N 3.21Å; N174-M176 VanDerWaalsContact C-N 3.31Å; N174-M176 PolarHBondContact O-N 2.98Å; M176-S180 WeakPolarHBondContact O-CB 3.39Å; M176-S180 PolarHBondContact O-N 2.78Å; M176-S180 PolarHBondContact O-OG 3.43Å
177R95.6Very high95.2Very high106 Ų10645.2 Ų45.240%0.422%0.216SC..Hα-helixtrans-64.4-47.6175.7-77.8-16762.9-157.6-3.9111.9W173 N174 C175 S180 T181W173-R177 HydrophobicContact CD2-CG 4.48Å; W173-R177 HydrophobicContact CZ2-CG 4.36Å; W173-R177 WeakPolarHBondContact O-CG 3.37Å; W173-R177 PolarHBondContact O-N 3.46Å; N174-R177 PolarHBondContact O-N 3.18Å; C175-R177 PolarHBondContact O-N 3.05Å; R177-S180 PolarHBondContact O-N 3.4Å; R177-T181 WeakPolarHBondContact O-CB 3.49Å; R177-T181 PolarHBondContact O-N 2.87Å; R177-T181 PolarHBondContact O-OG1 3.33Å
178E95.5Very high95.7Very high62 Ų6251.1 Ų51.129%0.2925%0.247SC..Hα-helixtrans-57.1-53.2177.6-175.5-168105.300111N174 C175 S180 T181 V182 P214 C215N174-E178 WeakPolarHBondContact O-CB 3.14Å; N174-E178 PolarHBondContact O-N 3.14Å; C175-E178 PolarHBondContact O-N 2.9Å; E178-S180 VanDerWaalsContact C-N 3.29Å; E178-S180 PolarHBondContact O-N 3.4Å; E178-T181 PolarHBondContact O-N 2.92Å; E178-V182 WeakPolarHBondContact O-CG2 3.44Å; E178-V182 PolarHBondContact O-N 3.2Å; E178-P214 WeakPolarHBondContact OE1-CD 3.35Å; E178-P214 VanDerWaalsContact OE1-N 3.07Å; E178-C215 WeakPolarHBondContact OE1-CB 3.31Å; E178-C215 PolarHBondContact OE1-N 3.2Å; E178-C215 PolarHBondContact OE1-SG 3.42Å
179V96.9Very high96Very high0 Ų049.4 Ų49.40%024%0.24CC..Hα-helixtrans-57.9-44179.3163.70000111.3F91 I92 C175 V182 L183 F213 Y216F91-V179 HydrophobicContact CD1-CG1 3.74Å; F91-V179 HydrophobicContact CE1-CB 4.47Å; F91-V179 HydrophobicContact CE1-CG1 3.3Å; F91-V179 HydrophobicContact CE1-CG2 4.44Å; F91-V179 HydrophobicContact CZ-CG1 4.12Å; F91-V179 HydrophobicContact CZ-CG2 4.49Å; I92-V179 HydrophobicContact CD1-CG1 3.88Å; C175-V179 VanDerWaalsContact O-CB 3.3Å; C175-V179 WeakPolarHBondContact O-CB 3.49Å; C175-V179 VanDerWaalsContact O-CG2 3.28Å; C175-V179 WeakPolarHBondContact O-CG2 3.32Å; C175-V179 PolarHBondContact O-N 2.92Å; V179-V182 PolarHBondContact O-N 2.87Å; V179-L183 HydrophobicContact CG1-CD1 3.98Å; V179-L183 HydrophobicContact CG1-CG 4.4Å; V179-L183 WeakPolarHBondContact O-CB 3.47Å; V179-L183 VanDerWaalsContact O-CG 3.23Å; V179-L183 WeakPolarHBondContact O-CG 3.37Å; V179-L183 PolarHBondContact O-N 2.66Å; V179-F213 HydrophobicContact CB-CD1 4.3Å; V179-F213 HydrophobicContact CG1-CD1 4.43Å; V179-F213 HydrophobicContact CG1-CE1 4.24Å; V179-F213 HydrophobicContact CG2-CD1 3.88Å; V179-Y216 HydrophobicContact CG2-CE2 4.38Å
180S96.9Very high96.3Very high0 Ų050.8 Ų50.80%025%0.246CC..Hα-helixtrans-65.4-43.5179.5-60.30000112.5A143 W146 M176 R177 E178 L183 L184A143-S180 WeakPolarHBondContact O-CB 3.36Å; W146-S180 WeakPolarHBondContact CB-OG 3.2Å; M176-S180 WeakPolarHBondContact O-CB 3.39Å; M176-S180 PolarHBondContact O-N 2.78Å; M176-S180 PolarHBondContact O-OG 3.43Å; R177-S180 PolarHBondContact O-N 3.4Å; E178-S180 VanDerWaalsContact C-N 3.29Å; E178-S180 PolarHBondContact O-N 3.4Å; S180-L183 PolarHBondContact O-N 2.77Å; S180-L184 VanDerWaalsContact O-CG 3.26Å; S180-L184 WeakPolarHBondContact O-CG 3.36Å; S180-L184 PolarHBondContact O-N 3.47Å
181T96.9Very high96.3Very high51 Ų5146.2 Ų46.231%0.31323%0.225SC..Hα-helixtrans-60.3-48.7175.5-68.60000111R177 E178 L183 L184 E185R177-T181 WeakPolarHBondContact O-CB 3.49Å; R177-T181 PolarHBondContact O-N 2.87Å; R177-T181 PolarHBondContact O-OG1 3.33Å; E178-T181 PolarHBondContact O-N 2.92Å; T181-L183 VanDerWaalsContact C-N 3.34Å; T181-L183 PolarHBondContact O-N 2.87Å; T181-L184 PolarHBondContact O-N 2.51Å; T181-E185 HydrophobicContact CG2-CG 4.37Å; T181-E185 WeakPolarHBondContact CG2-OE1 3.45Å; T181-E185 WeakPolarHBondContact O-CB 3.36Å; T181-E185 WeakPolarHBondContact O-CG 3.44Å; T181-E185 PolarHBondContact O-N 3.32Å
182V97.9Very high96.5Very high15 Ų1545.3 Ų45.39%0.09122%0.219CC..Hα-helixtrans-62-41.7179.3172.40000111.5E178 V179 E185 K186 F187 N212 F213E178-V182 WeakPolarHBondContact O-CG2 3.44Å; E178-V182 PolarHBondContact O-N 3.2Å; V179-V182 PolarHBondContact O-N 2.87Å; V182-E185 PolarHBondContact O-N 3.1Å; V182-K186 HydrophobicContact CG1-CD 4.33Å; V182-K186 WeakPolarHBondContact O-CB 3.49Å; V182-K186 PolarHBondContact O-N 3.41Å; V182-F187 HydrophobicContact CG1-CD2 4.38Å; V182-F187 HydrophobicContact CG1-CE2 4.12Å; V182-N212 HydrophobicContact CG1-CB 3.9Å; V182-N212 WeakPolarHBondContact CG1-O 3.33Å; V182-N212 WeakPolarHBondContact CG2-O 3.41Å; V182-F213 HydrophobicContact CB-CD1 3.83Å; V182-F213 HydrophobicContact CB-CE1 3.63Å; V182-F213 HydrophobicContact CB-CZ 4.46Å; V182-F213 HydrophobicContact CG1-CD1 3.67Å; V182-F213 HydrophobicContact CG1-CE1 3.35Å; V182-F213 HydrophobicContact CG1-CE2 4.34Å; V182-F213 HydrophobicContact CG1-CG 4.3Å; V182-F213 HydrophobicContact CG1-CZ 3.72Å; V182-F213 HydrophobicContact CG2-CD1 4.33Å
183L98.1Very high96.7Very high2 Ų247 Ų471%0.0123%0.227CC..Hα-helixtrans-60.7-46.7176-74.6175.7000111.5F91 A143 V179 S180 T181 F187 D188 G189 F191 F213F91-L183 HydrophobicContact CD1-CD1 4.13Å; F91-L183 HydrophobicContact CE1-CD1 4.23Å; F91-L183 HydrophobicContact CE1-CD2 4.33Å; F91-L183 HydrophobicContact CE1-CG 4.41Å; A143-L183 HydrophobicContact CB-CB 3.94Å; A143-L183 HydrophobicContact CB-CD1 4.25Å; V179-L183 HydrophobicContact CG1-CD1 3.98Å; V179-L183 HydrophobicContact CG1-CG 4.4Å; V179-L183 WeakPolarHBondContact O-CB 3.47Å; V179-L183 VanDerWaalsContact O-CG 3.23Å; V179-L183 WeakPolarHBondContact O-CG 3.37Å; V179-L183 PolarHBondContact O-N 2.66Å; S180-L183 PolarHBondContact O-N 2.77Å; T181-L183 VanDerWaalsContact C-N 3.34Å; T181-L183 PolarHBondContact O-N 2.87Å; L183-F187 HydrophobicContact CD2-CB 4.14Å; L183-F187 HydrophobicContact CD2-CD2 4.25Å; L183-F187 HydrophobicContact CD2-CG 4.49Å; L183-F187 CarbonylContact O-C 3.52Å; L183-F187 VanDerWaalsContact O-C 3.24Å; L183-F187 WeakPolarHBondContact O-CA 3.23Å; L183-F187 PolarHBondContact O-N 2.86Å; L183-D188 PolarHBondContact O-N 2.97Å; L183-G189 WeakPolarHBondContact O-CA 3.43Å; L183-G189 PolarHBondContact O-N 2.97Å; L183-F191 HydrophobicContact CD2-CB 4.03Å; L183-F191 HydrophobicContact CD2-CD2 4.34Å; L183-F213 HydrophobicContact CD2-CE1 4.25Å; L183-F213 HydrophobicContact CD2-CZ 3.92Å; L183-F213 HydrophobicContact CG-CE1 4.14Å; L183-F213 HydrophobicContact CG-CZ 4.32Å
184L98Very high96.7Very high63 Ų6345.1 Ų45.133%0.3322%0.22SC..Hα-helixtrans-62.9-41.8179.1-70.8167.4000112.3A143 M144 S180 T181A143-L184 HydrophobicContact CB-CD2 4.08Å; A143-L184 HydrophobicContact CB-CG 3.88Å; M144-L184 HydrophobicContact CB-CD2 4.36Å; M144-L184 HydrophobicContact SD-CD1 4.44Å; M144-L184 HydrophobicContact SD-CD2 4.43Å; S180-L184 VanDerWaalsContact O-CG 3.26Å; S180-L184 WeakPolarHBondContact O-CG 3.36Å; S180-L184 PolarHBondContact O-N 3.47Å; T181-L184 PolarHBondContact O-N 2.51Å
185E97.8Very high96.8Very high142 Ų14243.7 Ų43.766%0.66421%0.214SC*.Hα-helixtrans-77.9-32.5-174.9-71.2175.717700113.7T181 V182T181-E185 HydrophobicContact CG2-CG 4.37Å; T181-E185 WeakPolarHBondContact CG2-OE1 3.45Å; T181-E185 WeakPolarHBondContact O-CB 3.36Å; T181-E185 WeakPolarHBondContact O-CG 3.44Å; T181-E185 PolarHBondContact O-N 3.32Å; V182-E185 PolarHBondContact O-N 3.1Å
186K97.9Very high97Very high111 Ų11147 Ų4748%0.48323%0.23SC..Hα-helixtrans-123.6-14.7-166.9-60.8-175.5179.3174.90115.3V182 N212V182-K186 HydrophobicContact CG1-CD 4.33Å; V182-K186 WeakPolarHBondContact O-CB 3.49Å; V182-K186 PolarHBondContact O-N 3.41Å; K186-N212 WeakPolarHBondContact CD-OD1 3.39Å; K186-N212 PolarHBondContact NZ-OD1 2.83Å
187F97.9Very high97.1Very high7 Ų753.3 Ų53.33%0.03126%0.257CS..SBendtrans-136.924.7-171-59.1-75.4000112.5V182 L183 G189 E190 N193 C194 K197 N212 F213V182-F187 HydrophobicContact CG1-CD2 4.38Å; V182-F187 HydrophobicContact CG1-CE2 4.12Å; L183-F187 HydrophobicContact CD2-CB 4.14Å; L183-F187 HydrophobicContact CD2-CD2 4.25Å; L183-F187 HydrophobicContact CD2-CG 4.49Å; L183-F187 CarbonylContact O-C 3.52Å; L183-F187 VanDerWaalsContact O-C 3.24Å; L183-F187 WeakPolarHBondContact O-CA 3.23Å; L183-F187 PolarHBondContact O-N 2.86Å; F187-G189 PolarHBondContact O-N 2.85Å; F187-G189 VanDerWaalsContact O-N 3.13Å; F187-E190 PolarHBondContact O-N 3.2Å; F187-N193 HydrophobicContact CB-CB 4.17Å; F187-N193 HydrophobicContact CD1-CB 4.46Å; F187-N193 PolarHBondContact O-ND2 2.95Å; F187-C194 HydrophobicContact CD1-CB 3.84Å; F187-C194 HydrophobicContact CE1-CB 3.76Å; F187-C194 HydrophobicContact CG-CB 4.33Å; F187-C194 HydrophobicContact CZ-CB 4.19Å; F187-K197 HydrophobicContact CE1-CD 4.27Å; F187-N212 HydrophobicContact CE2-CB 3.98Å; F187-N212 HydrophobicContact CZ-CB 4.25Å; F187-F213 HydrophobicContact CD2-CZ 4.15Å; F187-F213 HydrophobicContact CE2-CE2 4.08Å; F187-F213 AromaticContact CE2-CZ 3.92Å; F187-F213 HydrophobicContact CE2-CZ 3.92Å
188D97.1Very high97.1Very high138 Ų13848.4 Ų48.474%0.73824%0.24SC*.THydrogen-bonded Turntrans51.633.1-179.1-50.7-46.1000114.1L183 E190 N193L183-D188 PolarHBondContact O-N 2.97Å; D188-E190 VanDerWaalsContact C-N 3.28Å; D188-E190 PolarHBondContact O-N 3.28Å; D188-N193 PolarHBondContact OD2-ND2 3.3Å
189G96.8Very high97.2Very high7 Ų752 Ų527%0.07226%0.256CS..THydrogen-bonded Turntrans77.83.8-178.900000115.3A143 L183 F187A143-G189 WeakPolarHBondContact CB-O 3.49Å; L183-G189 WeakPolarHBondContact O-CA 3.43Å; L183-G189 PolarHBondContact O-N 2.97Å; F187-G189 PolarHBondContact O-N 2.85Å; F187-G189 VanDerWaalsContact O-N 3.13Å
190E96.7Very high97Very high43 Ų4357.8 Ų57.820%0.20130%0.297CS..  trans-126.7119.3-167.5-65.1-70.6146.700112N88 F187 D188 Y192 N193N88-E190 PolarHBondContact ND2-OE1 2.92Å; N88-E190 PolarHBondContact ND2-OE2 3.3Å; F187-E190 PolarHBondContact O-N 3.2Å; D188-E190 VanDerWaalsContact C-N 3.28Å; D188-E190 PolarHBondContact O-N 3.28Å; E190-Y192 PolarHBondContact O-N 3.48Å; E190-N193 WeakPolarHBondContact O-CB 3.16Å; E190-N193 PolarHBondContact O-N 3.44Å
191F96.6Very high96.9Very high18 Ų1860.3 Ų60.38%0.07931%0.31CS..Hα-helixtrans-63.7-24.8176.5-177.5-110.4000112.1N88 F91 L183 N193 C194 V195 L205 V209N88-F191 PolarHBondContact OD1-N 3.23Å; F91-F191 HydrophobicContact CB-CB 4.1Å; F91-F191 HydrophobicContact CB-CD1 3.75Å; F91-F191 HydrophobicContact CB-CD2 4.23Å; F91-F191 HydrophobicContact CB-CE1 4.22Å; F91-F191 HydrophobicContact CB-CG 3.75Å; F91-F191 HydrophobicContact CD1-CB 3.87Å; F91-F191 HydrophobicContact CD1-CD1 4.45Å; F91-F191 AromaticContact CD1-CD2 3.41Å; F91-F191 HydrophobicContact CD1-CD2 3.41Å; F91-F191 VanDerWaalsContact CD1-CD2 3.41Å; F91-F191 HydrophobicContact CD1-CE2 4.05Å; F91-F191 AromaticContact CD1-CG 3.65Å; F91-F191 HydrophobicContact CD1-CG 3.65Å; F91-F191 HydrophobicContact CD2-CD1 4.26Å; F91-F191 AromaticContact CD2-CD2 3.75Å; F91-F191 HydrophobicContact CD2-CD2 3.75Å; F91-F191 HydrophobicContact CD2-CE1 4.06Å; F91-F191 AromaticContact CD2-CE2 3.52Å; F91-F191 HydrophobicContact CD2-CE2 3.52Å; F91-F191 HydrophobicContact CD2-CG 4.11Å; F91-F191 AromaticContact CD2-CZ 3.69Å; F91-F191 HydrophobicContact CD2-CZ 3.69Å; F91-F191 AromaticContact CE1-CD2 3.49Å; F91-F191 HydrophobicContact CE1-CD2 3.49Å; F91-F191 VanDerWaalsContact CE1-CD2 3.49Å; F91-F191 AromaticContact CE1-CE2 3.93Å; F91-F191 HydrophobicContact CE1-CE2 3.93Å; F91-F191 HydrophobicContact CE1-CG 4.2Å; F91-F191 AromaticContact CE2-CD2 3.87Å; F91-F191 HydrophobicContact CE2-CD2 3.87Å; F91-F191 AromaticContact CE2-CE2 3.46Å; F91-F191 HydrophobicContact CE2-CE2 3.46Å; F91-F191 VanDerWaalsContact CE2-CE2 3.46Å; F91-F191 AromaticContact CE2-CZ 3.95Å; F91-F191 HydrophobicContact CE2-CZ 3.95Å; F91-F191 HydrophobicContact CG-CB 4.15Å; F91-F191 AromaticContact CG-CD1 3.93Å; F91-F191 HydrophobicContact CG-CD1 3.93Å; F91-F191 AromaticContact CG-CD2 3.53Å; F91-F191 HydrophobicContact CG-CD2 3.53Å; F91-F191 HydrophobicContact CG-CE1 4.21Å; F91-F191 AromaticContact CG-CE2 3.84Å; F91-F191 HydrophobicContact CG-CE2 3.84Å; F91-F191 AromaticContact CG-CG 3.58Å; F91-F191 HydrophobicContact CG-CG 3.58Å; F91-F191 HydrophobicContact CG-CZ 4.17Å; F91-F191 AromaticContact CZ-CD2 3.75Å; F91-F191 HydrophobicContact CZ-CD2 3.75Å; F91-F191 AromaticContact CZ-CE2 3.68Å; F91-F191 HydrophobicContact CZ-CE2 3.68Å; L183-F191 HydrophobicContact CD2-CB 4.03Å; L183-F191 HydrophobicContact CD2-CD2 4.34Å; F191-N193 PolarHBondContact O-N 3.31Å; F191-C194 HydrophobicContact CD2-CB 3.9Å; F191-C194 HydrophobicContact CE2-CB 3.98Å; F191-C194 WeakPolarHBondContact O-CA 3.32Å; F191-C194 VanDerWaalsContact O-CB 3.23Å; F191-C194 WeakPolarHBondContact O-CB 3.44Å; F191-C194 PolarHBondContact O-N 2.92Å; F191-V195 HydrophobicContact CD1-CG2 4.07Å; F191-V195 HydrophobicContact CE1-CG2 3.75Å; F191-V195 HydrophobicContact CZ-CG2 4.32Å; F191-V195 PolarHBondContact O-N 2.98Å; F191-V195 VanDerWaalsContact O-N 3.14Å; F191-L205 HydrophobicContact CZ-CD1 4.27Å; F191-V209 HydrophobicContact CE2-CG2 4.24Å; F191-V209 HydrophobicContact CZ-CG2 4.45Å
192Y96.3Very high96.6Very high56 Ų5662.6 Ų62.622%0.2233%0.326CS..Hα-helixtrans-53.7-34.9172.2-177.5-109.5000113L83 R84 L87 E190 C194 V195 L196L83-Y192 HydrophobicContact CD2-CE2 3.94Å; R84-Y192 HydrophobicContact CG-CD1 4.03Å; R84-Y192 HydrophobicContact CG-CG 4.01Å; L87-Y192 HydrophobicContact CD1-CD2 3.58Å; L87-Y192 HydrophobicContact CD1-CE2 4.41Å; L87-Y192 HydrophobicContact CD1-CG 4.44Å; E190-Y192 PolarHBondContact O-N 3.48Å; Y192-C194 VanDerWaalsContact C-N 3.32Å; Y192-C194 PolarHBondContact O-N 3.14Å; Y192-V195 WeakPolarHBondContact O-CB 3.43Å; Y192-V195 PolarHBondContact O-N 3.18Å; Y192-L196 HydrophobicContact CD1-CD1 3.9Å; Y192-L196 HydrophobicContact CD1-CG 4.11Å; Y192-L196 HydrophobicContact CE1-CD1 3.46Å; Y192-L196 VanDerWaalsContact CE1-CD1 3.46Å; Y192-L196 HydrophobicContact CE1-CD2 4.07Å; Y192-L196 HydrophobicContact CE1-CG 3.72Å; Y192-L196 HydrophobicContact CE2-CD2 4.48Å; Y192-L196 PolarHBondContact O-N 2.69Å
193N97.8Very high96.4Very high34 Ų3463.8 Ų63.818%0.18233%0.331CS..Hα-helixtrans-70.4-29.8177.6-69.9-19000112.2F187 D188 E190 F191 K197F187-N193 HydrophobicContact CB-CB 4.17Å; F187-N193 HydrophobicContact CD1-CB 4.46Å; F187-N193 PolarHBondContact O-ND2 2.95Å; D188-N193 PolarHBondContact OD2-ND2 3.3Å; E190-N193 WeakPolarHBondContact O-CB 3.16Å; E190-N193 PolarHBondContact O-N 3.44Å; F191-N193 PolarHBondContact O-N 3.31Å; N193-K197 WeakPolarHBondContact O-CB 3.47Å; N193-K197 PolarHBondContact O-N 3.36Å
194C97.1Very high96.2Very high0 Ų067.8 Ų67.80%035%0.349CS..Hα-helixtrans-65.3-41169.5-172.20000111.2F187 F191 Y192 K197 S198F187-C194 HydrophobicContact CD1-CB 3.84Å; F187-C194 HydrophobicContact CE1-CB 3.76Å; F187-C194 HydrophobicContact CG-CB 4.33Å; F187-C194 HydrophobicContact CZ-CB 4.19Å; F191-C194 HydrophobicContact CD2-CB 3.9Å; F191-C194 HydrophobicContact CE2-CB 3.98Å; F191-C194 WeakPolarHBondContact O-CA 3.32Å; F191-C194 VanDerWaalsContact O-CB 3.23Å; F191-C194 WeakPolarHBondContact O-CB 3.44Å; F191-C194 PolarHBondContact O-N 2.92Å; Y192-C194 VanDerWaalsContact C-N 3.32Å; Y192-C194 PolarHBondContact O-N 3.14Å; C194-K197 PolarHBondContact O-N 3.33Å; C194-S198 PolarHBondContact O-N 3.38Å
195V96.8Very high96.1Very high41 Ų4166.7 Ų66.725%0.24834%0.343CS..Hα-helixtrans-65.9-42.9175.7179.20000111.5F191 Y192 K197 S198 L205F191-V195 HydrophobicContact CD1-CG2 4.07Å; F191-V195 HydrophobicContact CE1-CG2 3.75Å; F191-V195 HydrophobicContact CZ-CG2 4.32Å; F191-V195 PolarHBondContact O-N 2.98Å; F191-V195 VanDerWaalsContact O-N 3.14Å; Y192-V195 WeakPolarHBondContact O-CB 3.43Å; Y192-V195 PolarHBondContact O-N 3.18Å; V195-K197 VanDerWaalsContact C-N 3.32Å; V195-K197 PolarHBondContact O-N 2.81Å; V195-S198 PolarHBondContact O-N 2.9Å; V195-S198 VanDerWaalsContact O-N 3.15Å; V195-S198 PolarHBondContact O-OG 3.48Å; V195-L205 HydrophobicContact CG2-CD1 4.38Å; V195-L205 HydrophobicContact CG2-CD2 4.47Å
196L97.6Very high95.9Very high92 Ų9262.4 Ų62.448%0.48232%0.324SS..Hα-helixtrans-60.9-43.4175.4-74.4-177.9000111.8Y192 S198 E199Y192-L196 HydrophobicContact CD1-CD1 3.9Å; Y192-L196 HydrophobicContact CD1-CG 4.11Å; Y192-L196 HydrophobicContact CE1-CD1 3.46Å; Y192-L196 VanDerWaalsContact CE1-CD1 3.46Å; Y192-L196 HydrophobicContact CE1-CD2 4.07Å; Y192-L196 HydrophobicContact CE1-CG 3.72Å; Y192-L196 HydrophobicContact CE2-CD2 4.48Å; Y192-L196 PolarHBondContact O-N 2.69Å; L196-S198 PolarHBondContact O-N 3.36Å; L196-E199 PolarHBondContact O-N 3.36Å
197K97.1Very high95.8Very high131 Ų13157.3 Ų57.357%0.5730%0.303SS*.Hα-helixtrans-65.1-19.7178.1-168.5173.6-178.6-179.80113F187 N193 C194 V195 E199 L208F187-K197 HydrophobicContact CE1-CD 4.27Å; N193-K197 WeakPolarHBondContact O-CB 3.47Å; N193-K197 PolarHBondContact O-N 3.36Å; C194-K197 PolarHBondContact O-N 3.33Å; V195-K197 VanDerWaalsContact C-N 3.32Å; V195-K197 PolarHBondContact O-N 2.81Å; K197-E199 PolarHBondContact O-N 3.27Å; K197-L208 HydrophobicContact CB-CD1 3.98Å; K197-L208 HydrophobicContact CD-CD1 4.5Å; K197-L208 HydrophobicContact CD-CD2 3.98Å; K197-L208 HydrophobicContact CG-CD1 4.03Å; K197-L208 HydrophobicContact CG-CD2 4.24Å
198S96.2Very high95.7Very high4 Ų457.7 Ų57.73%0.02831%0.305CS..THydrogen-bonded Turntrans-79.3-6.2174.590.90000113.5C194 V195 L196 S200 D201C194-S198 PolarHBondContact O-N 3.38Å; V195-S198 PolarHBondContact O-N 2.9Å; V195-S198 VanDerWaalsContact O-N 3.15Å; V195-S198 PolarHBondContact O-OG 3.48Å; L196-S198 PolarHBondContact O-N 3.36Å; S198-S200 PolarHBondContact O-N 2.97Å; S198-D201 WeakPolarHBondContact O-CB 3.34Å; S198-D201 PolarHBondContact O-N 2.87Å; S198-D201 PolarHBondContact OG-O 2.96Å
199E95.9Very high95.7Very high138 Ų13851.9 Ų51.965%0.64527%0.274SS*.THydrogen-bonded Turntrans55.835.4176.3-57.6174.6162.100113.5L196 K197 D201 K204L196-E199 PolarHBondContact O-N 3.36Å; K197-E199 PolarHBondContact O-N 3.27Å; E199-D201 PolarHBondContact O-N 3.49Å; E199-K204 IonicContact OE2-NZ 2.7Å; E199-K204 PolarHBondContact OE2-NZ 2.88Å
200S93.2Very high95.6Very high121 Ų12152.3 Ų52.385%0.84628%0.275SS*.THydrogen-bonded Turntrans6317.1-174.7-47.70000115S198S198-S200 PolarHBondContact O-N 2.97Å
201D94.8Very high95.6Very high52 Ų5254.3 Ų54.328%0.27829%0.285SS..  trans-98.1117.8172.3-175.2-29.3000110.3S198 E199 L203 K204 L205S198-D201 WeakPolarHBondContact O-CB 3.34Å; S198-D201 PolarHBondContact O-N 2.87Å; S198-D201 PolarHBondContact OG-O 2.96Å; E199-D201 PolarHBondContact O-N 3.49Å; D201-L203 VanDerWaalsContact C-N 3.32Å; D201-L203 PolarHBondContact O-N 3.36Å; D201-L203 WeakPolarHBondContact OD1-CA 2.99Å; D201-L203 WeakPolarHBondContact OD1-CB 3.19Å; D201-L203 PolarHBondContact OD1-N 3.48Å; D201-K204 HydrophobicContact CB-CB 3.89Å; D201-K204 HydrophobicContact CB-CD 3.8Å; D201-K204 HydrophobicContact CB-CG 3.77Å; D201-K204 PolarHBondContact O-N 3.17Å; D201-K204 PolarHBondContact OD1-N 3.41Å; D201-L205 PolarHBondContact O-N 3.18Å
202P91.8Very high95.6Very high99 Ų9954.4 Ų54.464%0.64329%0.286SS*.Hα-helixtrans-68.2-27.7-179.427.8-34.5000113.6L205 L206P202-L205 PolarHBondContact O-N 3.48Å; P202-L206 PolarHBondContact O-N 3.07Å
203L92.5Very high95.6Very high40 Ų4051.8 Ų51.821%0.20928%0.275CS..Hα-helixtrans-78.6-35.6178.1-61.9-179.6000111.2W11 D12 D201 L205 L206 S207W11-L203 HydrophobicContact CB-CD2 4.49Å; W11-L203 HydrophobicContact CD2-CD2 3.97Å; W11-L203 HydrophobicContact CE3-CD2 3.3Å; W11-L203 HydrophobicContact CG-CD2 4.47Å; W11-L203 HydrophobicContact CZ3-CD2 3.78Å; D12-L203 HydrophobicContact CB-CD1 4.01Å; D12-L203 WeakPolarHBondContact O-CB 3.38Å; D201-L203 VanDerWaalsContact C-N 3.32Å; D201-L203 PolarHBondContact O-N 3.36Å; D201-L203 WeakPolarHBondContact OD1-CA 2.99Å; D201-L203 WeakPolarHBondContact OD1-CB 3.19Å; D201-L203 PolarHBondContact OD1-N 3.48Å; L203-L205 VanDerWaalsContact C-N 3.32Å; L203-L206 PolarHBondContact O-N 2.82Å; L203-S207 PolarHBondContact O-N 3.36Å
204K95.3Very high95.4Very high86 Ų8653 Ų5337%0.37429%0.285SS..Hα-helixtrans-63-40.2166.5-66.5-175.7-170177.10111.3E199 D201 L206 S207 L208E199-K204 IonicContact OE2-NZ 2.7Å; E199-K204 PolarHBondContact OE2-NZ 2.88Å; D201-K204 HydrophobicContact CB-CB 3.89Å; D201-K204 HydrophobicContact CB-CD 3.8Å; D201-K204 HydrophobicContact CB-CG 3.77Å; D201-K204 PolarHBondContact O-N 3.17Å; D201-K204 PolarHBondContact OD1-N 3.41Å; K204-L206 VanDerWaalsContact C-N 3.33Å; K204-L206 PolarHBondContact O-N 2.91Å; K204-S207 WeakPolarHBondContact O-CB 3.46Å; K204-S207 PolarHBondContact O-N 2.94Å; K204-L208 WeakPolarHBondContact O-CG 3.46Å; K204-L208 PolarHBondContact O-N 3.43Å
205L95.9Very high95.1Very high41 Ų4154.7 Ų54.722%0.21530%0.297CS..Hα-helixtrans-61.5-44176-177.857.7000111F191 V195 D201 P202 L203 S207 L208 V209F191-L205 HydrophobicContact CZ-CD1 4.27Å; V195-L205 HydrophobicContact CG2-CD1 4.38Å; V195-L205 HydrophobicContact CG2-CD2 4.47Å; D201-L205 PolarHBondContact O-N 3.18Å; P202-L205 PolarHBondContact O-N 3.48Å; L203-L205 VanDerWaalsContact C-N 3.32Å; L205-S207 VanDerWaalsContact C-N 3.34Å; L205-S207 PolarHBondContact O-N 3.02Å; L205-L208 PolarHBondContact O-N 3.32Å; L205-V209 HydrophobicContact CD1-CG2 4.36Å; L205-V209 VanDerWaalsContact O-CG2 3.31Å; L205-V209 WeakPolarHBondContact O-CG2 3.41Å; L205-V209 PolarHBondContact O-N 3.42Å
206L93.7Very high94.9Very high51 Ų5155.9 Ų55.927%0.26730%0.297SS..Hα-helixtrans-59.9-44.3174.3179.961000111.6W11 L16 P202 L203 K204 V209 L210W11-L206 HydrophobicContact CE3-CD2 4.11Å; W11-L206 HydrophobicContact CZ3-CD2 3.98Å; L16-L206 HydrophobicContact CD1-CD2 4.25Å; P202-L206 PolarHBondContact O-N 3.07Å; L203-L206 PolarHBondContact O-N 2.82Å; K204-L206 VanDerWaalsContact C-N 3.33Å; K204-L206 PolarHBondContact O-N 2.91Å; L206-V209 PolarHBondContact O-N 3.27Å; L206-L210 HydrophobicContact CD1-CD1 3.98Å; L206-L210 HydrophobicContact CD1-CG 4.11Å; L206-L210 HydrophobicContact CG-CD1 3.99Å; L206-L210 HydrophobicContact CG-CG 4.49Å; L206-L210 WeakPolarHBondContact O-CG 3.35Å; L206-L210 PolarHBondContact O-N 3.07Å
207S94.8Very high94.5Very high5 Ų555.8 Ų55.84%0.03529%0.291CS..Hα-helixtrans-58.7-50.5176.1-154.90000111.1Y15 L203 K204 L205 V209 L210 E211Y15-S207 WeakPolarHBondContact CB-OG 3.43Å; Y15-S207 PolarHBondContact N-OG 2.82Å; L203-S207 PolarHBondContact O-N 3.36Å; K204-S207 WeakPolarHBondContact O-CB 3.46Å; K204-S207 PolarHBondContact O-N 2.94Å; L205-S207 VanDerWaalsContact C-N 3.34Å; L205-S207 PolarHBondContact O-N 3.02Å; S207-V209 VanDerWaalsContact C-N 3.29Å; S207-V209 PolarHBondContact O-N 3.44Å; S207-L210 PolarHBondContact O-N 3.43Å; S207-E211 VanDerWaalsContact O-CB 3.32Å; S207-E211 WeakPolarHBondContact O-CB 3.33Å; S207-E211 WeakPolarHBondContact O-CG 3.16Å; S207-E211 PolarHBondContact O-N 3.31Å; S207-E211 PolarHBondContact OG-OE1 3.44Å
208L96.8Very high93.7Very high14 Ų1454 Ų547%0.07329%0.287CS..Hα-helixtrans-58-40.9177.4-73.2169.4000112.2K197 K204 L205 N212K197-L208 HydrophobicContact CB-CD1 3.98Å; K197-L208 HydrophobicContact CD-CD1 4.5Å; K197-L208 HydrophobicContact CD-CD2 3.98Å; K197-L208 HydrophobicContact CG-CD1 4.03Å; K197-L208 HydrophobicContact CG-CD2 4.24Å; K204-L208 WeakPolarHBondContact O-CG 3.46Å; K204-L208 PolarHBondContact O-N 3.43Å; L205-L208 PolarHBondContact O-N 3.32Å; L208-N212 WeakPolarHBondContact O-CB 3.32Å; L208-N212 PolarHBondContact O-N 2.95Å; L208-N212 VanDerWaalsContact O-N 3.12Å; L208-N212 PolarHBondContact O-ND2 3.32Å
209V96.4Very high92.8Very high16 Ų1658.7 Ų58.710%0.09731%0.308CS..Hα-helixtrans-64-50.1177.7168.60000110.5F191 L205 L206 S207 E211 N212 F213 Y216F191-V209 HydrophobicContact CE2-CG2 4.24Å; F191-V209 HydrophobicContact CZ-CG2 4.45Å; L205-V209 HydrophobicContact CD1-CG2 4.36Å; L205-V209 VanDerWaalsContact O-CG2 3.31Å; L205-V209 WeakPolarHBondContact O-CG2 3.41Å; L205-V209 PolarHBondContact O-N 3.42Å; L206-V209 PolarHBondContact O-N 3.27Å; S207-V209 VanDerWaalsContact C-N 3.29Å; S207-V209 PolarHBondContact O-N 3.44Å; V209-E211 PolarHBondContact O-N 3.02Å; V209-N212 PolarHBondContact O-N 3.04Å; V209-F213 HydrophobicContact CB-CD2 4.48Å; V209-F213 HydrophobicContact CG1-CD2 4.35Å; V209-F213 WeakPolarHBondContact O-CB 3.2Å; V209-F213 WeakPolarHBondContact O-CD2 2.81Å; V209-F213 PolarHBondContact O-N 2.92Å; V209-Y216 HydrophobicContact CG1-CD1 4.13Å; V209-Y216 HydrophobicContact CG1-CD2 3.8Å; V209-Y216 HydrophobicContact CG1-CE2 4.32Å; V209-Y216 HydrophobicContact CG1-CG 3.66Å
210L94.6Very high91.7Very high17 Ų1755.4 Ų55.49%0.08930%0.298CS..Hα-helixtrans-66.5-36.4-179.3-66.6173.2000112.4Y15 L16 L206 S207 N212 Y216 R217Y15-L210 HydrophobicContact CD1-CB 3.46Å; Y15-L210 VanDerWaalsContact CD1-CB 3.46Å; Y15-L210 HydrophobicContact CD1-CD1 3.61Å; Y15-L210 HydrophobicContact CD1-CG 4.13Å; Y15-L210 HydrophobicContact CD2-CB 4.1Å; Y15-L210 HydrophobicContact CE1-CB 3.72Å; Y15-L210 HydrophobicContact CE1-CD1 4.22Å; Y15-L210 HydrophobicContact CE1-CG 4.44Å; Y15-L210 HydrophobicContact CE2-CB 4.3Å; Y15-L210 HydrophobicContact CG-CB 3.66Å; Y15-L210 HydrophobicContact CG-CD1 4.29Å; L16-L210 HydrophobicContact CD2-CD1 3.73Å; L16-L210 HydrophobicContact CG-CD1 4.11Å; L206-L210 HydrophobicContact CD1-CD1 3.98Å; L206-L210 HydrophobicContact CD1-CG 4.11Å; L206-L210 HydrophobicContact CG-CD1 3.99Å; L206-L210 HydrophobicContact CG-CG 4.49Å; L206-L210 WeakPolarHBondContact O-CG 3.35Å; L206-L210 PolarHBondContact O-N 3.07Å; S207-L210 PolarHBondContact O-N 3.43Å; L210-N212 PolarHBondContact O-N 3.08Å; L210-Y216 WeakPolarHBondContact CD2-O 3.23Å; L210-R217 PolarHBondContact O-NE 3.31Å; L210-R217 PolarHBondContact O-NH2 3.01Å
211E96Very high90.8Very high85 Ų8557.3 Ų57.340%0.39729%0.294SS..Hα-helixtrans-66.1-35.8177.3-74.8164.3-153.900112.8Y15 S207 V209 R217Y15-E211 HydrophobicContact CD2-CB 4.4Å; Y15-E211 HydrophobicContact CD2-CG 3.54Å; Y15-E211 HydrophobicContact CE2-CG 4.29Å; Y15-E211 HydrophobicContact CG-CG 4.37Å; S207-E211 VanDerWaalsContact O-CB 3.32Å; S207-E211 WeakPolarHBondContact O-CB 3.33Å; S207-E211 WeakPolarHBondContact O-CG 3.16Å; S207-E211 PolarHBondContact O-N 3.31Å; S207-E211 PolarHBondContact OG-OE1 3.44Å; V209-E211 PolarHBondContact O-N 3.02Å; E211-R217 PolarHBondContact O-NH2 3.07Å
212N97.4Very high89.3Confident20 Ų2058.9 Ų58.911%0.10730%0.296CS..Hα-helixtrans-105.9-26.5-168.6-68.8-77.4000114.6V182 K186 F187 L208 V209 L210 P214V182-N212 HydrophobicContact CG1-CB 3.9Å; V182-N212 WeakPolarHBondContact CG1-O 3.33Å; V182-N212 WeakPolarHBondContact CG2-O 3.41Å; K186-N212 WeakPolarHBondContact CD-OD1 3.39Å; K186-N212 PolarHBondContact NZ-OD1 2.83Å; F187-N212 HydrophobicContact CE2-CB 3.98Å; F187-N212 HydrophobicContact CZ-CB 4.25Å; L208-N212 WeakPolarHBondContact O-CB 3.32Å; L208-N212 PolarHBondContact O-N 2.95Å; L208-N212 VanDerWaalsContact O-N 3.12Å; L208-N212 PolarHBondContact O-ND2 3.32Å; V209-N212 PolarHBondContact O-N 3.04Å; L210-N212 PolarHBondContact O-N 3.08Å; N212-P214 VanDerWaalsContact O-CD 3.32Å; N212-P214 WeakPolarHBondContact O-CD 3.19Å
213F96.4Very high87.6Confident0 Ų058.9 Ų58.90%029%0.294CS..  trans-118.591.2-173.9-55.1-85.8000110.8F91 V179 V182 L183 F187 V209 C215 Y216F91-F213 HydrophobicContact CE1-CD1 4.25Å; F91-F213 AromaticContact CE1-CE1 3.72Å; F91-F213 HydrophobicContact CE1-CE1 3.72Å; F91-F213 HydrophobicContact CE1-CE2 4.36Å; F91-F213 AromaticContact CE1-CZ 3.79Å; F91-F213 HydrophobicContact CE1-CZ 3.79Å; F91-F213 HydrophobicContact CZ-CD1 4Å; F91-F213 HydrophobicContact CZ-CD2 4.05Å; F91-F213 AromaticContact CZ-CE1 3.83Å; F91-F213 HydrophobicContact CZ-CE1 3.83Å; F91-F213 AromaticContact CZ-CE2 3.91Å; F91-F213 HydrophobicContact CZ-CE2 3.91Å; F91-F213 HydrophobicContact CZ-CG 4.1Å; F91-F213 AromaticContact CZ-CZ 3.79Å; F91-F213 HydrophobicContact CZ-CZ 3.79Å; V179-F213 HydrophobicContact CB-CD1 4.3Å; V179-F213 HydrophobicContact CG1-CD1 4.43Å; V179-F213 HydrophobicContact CG1-CE1 4.24Å; V179-F213 HydrophobicContact CG2-CD1 3.88Å; V182-F213 HydrophobicContact CB-CD1 3.83Å; V182-F213 HydrophobicContact CB-CE1 3.63Å; V182-F213 HydrophobicContact CB-CZ 4.46Å; V182-F213 HydrophobicContact CG1-CD1 3.67Å; V182-F213 HydrophobicContact CG1-CE1 3.35Å; V182-F213 HydrophobicContact CG1-CE2 4.34Å; V182-F213 HydrophobicContact CG1-CG 4.3Å; V182-F213 HydrophobicContact CG1-CZ 3.72Å; V182-F213 HydrophobicContact CG2-CD1 4.33Å; L183-F213 HydrophobicContact CD2-CE1 4.25Å; L183-F213 HydrophobicContact CD2-CZ 3.92Å; L183-F213 HydrophobicContact CG-CE1 4.14Å; L183-F213 HydrophobicContact CG-CZ 4.32Å; F187-F213 HydrophobicContact CD2-CZ 4.15Å; F187-F213 HydrophobicContact CE2-CE2 4.08Å; F187-F213 AromaticContact CE2-CZ 3.92Å; F187-F213 HydrophobicContact CE2-CZ 3.92Å; V209-F213 HydrophobicContact CB-CD2 4.48Å; V209-F213 HydrophobicContact CG1-CD2 4.35Å; V209-F213 WeakPolarHBondContact O-CB 3.2Å; V209-F213 WeakPolarHBondContact O-CD2 2.81Å; V209-F213 PolarHBondContact O-N 2.92Å; F213-C215 PolarHBondContact O-N 2.95Å; F213-C215 VanDerWaalsContact O-N 3.1Å; F213-Y216 HydrophobicContact CB-CD2 3.62Å; F213-Y216 HydrophobicContact CB-CE2 4.27Å; F213-Y216 HydrophobicContact CG-CD2 4.42Å; F213-Y216 PolarHBondContact O-N 3.44Å
214P93.2Very high85.7Confident59 Ų5958.5 Ų58.538%0.38330%0.3SS..G310 helixtrans-48.6-34.3179.7-29.233000115.6E178 N212 Y216 R217E178-P214 WeakPolarHBondContact OE1-CD 3.35Å; E178-P214 VanDerWaalsContact OE1-N 3.07Å; N212-P214 VanDerWaalsContact O-CD 3.32Å; N212-P214 WeakPolarHBondContact O-CD 3.19Å; P214-Y216 PolarHBondContact O-N 3.48Å; P214-Y216 VanDerWaalsContact O-N 3.11Å; P214-R217 VanDerWaalsContact O-CB 3.3Å; P214-R217 WeakPolarHBondContact O-CB 3.37Å; P214-R217 PolarHBondContact O-N 3.48Å
215C91.7Very high83.1Confident37 Ų3760.7 Ų60.725%0.2531%0.311CS..G310 helixtrans-62.6-17.6179.369.90000114C175 E178 F213C175-C215 HydrophobicContact CB-CB 4.24Å; E178-C215 WeakPolarHBondContact OE1-CB 3.31Å; E178-C215 PolarHBondContact OE1-N 3.2Å; E178-C215 PolarHBondContact OE1-SG 3.42Å; F213-C215 PolarHBondContact O-N 2.95Å; F213-C215 VanDerWaalsContact O-N 3.1Å
216Y92.2Very high80.8Confident66 Ų6667.3 Ų67.326%0.25934%0.338SS..G310 helixtrans-89.4-5174.1-75.4-82.9000113.6F91 S95 V179 V209 L210 F213 P214 D218F91-Y216 AromaticContact CE2-CE2 3.65Å; F91-Y216 HydrophobicContact CE2-CE2 3.65Å; F91-Y216 AromaticContact CE2-CZ 3.71Å; F91-Y216 VanDerWaalsContact CE2-OH 3.32Å; F91-Y216 WeakPolarHBondContact CE2-OH 3.43Å; F91-Y216 AromaticContact CZ-CE2 3.82Å; F91-Y216 HydrophobicContact CZ-CE2 3.82Å; S95-Y216 WeakPolarHBondContact CA-OH 3.45Å; S95-Y216 PolarHBondContact N-OH 2.94Å; S95-Y216 PolarHBondContact OG-OH 3.48Å; V179-Y216 HydrophobicContact CG2-CE2 4.38Å; V209-Y216 HydrophobicContact CG1-CD1 4.13Å; V209-Y216 HydrophobicContact CG1-CD2 3.8Å; V209-Y216 HydrophobicContact CG1-CE2 4.32Å; V209-Y216 HydrophobicContact CG1-CG 3.66Å; L210-Y216 WeakPolarHBondContact CD2-O 3.23Å; F213-Y216 HydrophobicContact CB-CD2 3.62Å; F213-Y216 HydrophobicContact CB-CE2 4.27Å; F213-Y216 HydrophobicContact CG-CD2 4.42Å; F213-Y216 PolarHBondContact O-N 3.44Å; P214-Y216 PolarHBondContact O-N 3.48Å; P214-Y216 VanDerWaalsContact O-N 3.11Å; Y216-D218 PolarHBondContact O-N 2.82Å
217R89.2Confident78.7Confident89 Ų8969.9 Ų69.934%0.33636%0.36SS..  trans-84.642.8177.2-56.4174.8-174.1166.82.8111.4Y15 L210 E211 P214 H219Y15-R217 VanDerWaalsContact OH-CD 3.28Å; Y15-R217 WeakPolarHBondContact OH-CD 3.46Å; Y15-R217 PolarHBondContact OH-NE 3.34Å; L210-R217 PolarHBondContact O-NE 3.31Å; L210-R217 PolarHBondContact O-NH2 3.01Å; E211-R217 PolarHBondContact O-NH2 3.07Å; P214-R217 VanDerWaalsContact O-CB 3.3Å; P214-R217 WeakPolarHBondContact O-CB 3.37Å; P214-R217 PolarHBondContact O-N 3.48Å; R217-H219 PolarHBondContact O-N 2.87Å; R217-H219 PolarHBondContact O-ND1 3.25Å
218D80.5Confident76.4Confident94 Ų9479 Ų7950%0.50340%0.396SS..  trans-76.664.4176.3-170.721.1000110.8Y216 F232Y216-D218 PolarHBondContact O-N 2.82Å; D218-F232 WeakPolarHBondContact OD1-CD2 3.37Å
219H76.9Confident74.2Confident102 Ų10280.1 Ų80.147%0.47240%0.401SS..  trans-114.5156.3173.866.3-69.3000108.9I21 R217I21-H219 HydrophobicContact CG2-CB 4.38Å; R217-H219 PolarHBondContact O-N 2.87Å; R217-H219 PolarHBondContact O-ND1 3.25Å
220T73.5Confident72Confident69 Ų6981.7 Ų81.742%0.42341%0.407SS..  trans-145152.3-171.9-173.10000109.1Y222 L229T220-Y222 PolarHBondContact O-N 2.88Å; T220-L229 WeakPolarHBondContact CB-O 3.41Å; T220-L229 HydrophobicContact CG2-CD1 3.92Å; T220-L229 WeakPolarHBondContact CG2-O 3.23Å; T220-L229 PolarHBondContact OG1-O 3.26Å; T220-L229 VanDerWaalsContact OG1-O 3.1Å
221E73Confident70Confident162 Ų16288.7 Ų88.776%0.75744%0.439SS*.  trans-73.5119.6173.9-71.8-170.7173.700110.2V223E221-V223 VanDerWaalsContact C-N 3.34Å; E221-V223 HydrophobicContact CB-CG2 4.41Å; E221-V223 PolarHBondContact O-N 2.91Å; E221-V223 VanDerWaalsContact O-N 3.11Å
222Y63.1Low68Low85 Ų8588.8 Ų88.833%0.33344%0.438SS..  trans-83.580.6168.9-172.8-100000109.9I30 A34 T220 G224 L229I30-Y222 HydrophobicContact CG2-CD1 3.52Å; I30-Y222 HydrophobicContact CG2-CE1 3.58Å; I30-Y222 HydrophobicContact CG2-CG 4.19Å; A34-Y222 HydrophobicContact CB-CE1 4.44Å; A34-Y222 WeakPolarHBondContact CB-OH 3.36Å; T220-Y222 PolarHBondContact O-N 2.88Å; Y222-G224 PolarHBondContact O-N 3.14Å; Y222-L229 HydrophobicContact CD2-CD1 3.66Å; Y222-L229 HydrophobicContact CD2-CD2 4.33Å; Y222-L229 HydrophobicContact CE2-CD1 4.38Å; Y222-L229 HydrophobicContact CE2-CD2 4.31Å
223V56.9Low66.3Low99 Ų9989 Ų8960%0.645%0.446SS*.  trans-81.2115164.3-174.30000105.9E221 H225E221-V223 VanDerWaalsContact C-N 3.34Å; E221-V223 HydrophobicContact CB-CG2 4.41Å; E221-V223 PolarHBondContact O-N 2.91Å; E221-V223 VanDerWaalsContact O-N 3.11Å; V223-H225 CarbonylContact O-C 3.51Å; V223-H225 PolarHBondContact O-N 3.32Å
224G51.7Low65Low32 Ų3295.1 Ų95.133%0.3347%0.474SS..SBendtrans-55.63.6-170.500000117.1Y222Y222-G224 PolarHBondContact O-N 3.14Å
225H42.3Very low64Low131 Ų13194.5 Ų94.561%0.60647%0.47SS*.SBendtrans-146.2127.5171.5-67.975.1000110.4R36 V223R36-H225 PolarHBondContact NH2-NE2 3.44Å; V223-H225 CarbonylContact O-C 3.51Å; V223-H225 PolarHBondContact O-N 3.32Å
226K46.1Very low63.2Low181 Ų18196.9 Ų96.979%0.78748%0.477SS*.SBendtrans99.8103.4155.6-58.1174.1180179.90119.1Y228K226-Y228 VanDerWaalsContact C-N 3.35Å; K226-Y228 WeakPolarHBondContact O-CD2 3.42Å; K226-Y228 PolarHBondContact O-N 2.79Å
227S49.7Very low62.4Low104 Ų10496.4 Ų96.473%0.72748%0.477SS*.SBendtrans58.7-15.5140.557.40000123
228Y47.6Very low61.9Low198 Ų19893.7 Ų93.778%0.77647%0.471SS*.  trans-107.320.1-173.9-61.2-75.9000114.6K226 F230K226-Y228 VanDerWaalsContact C-N 3.35Å; K226-Y228 WeakPolarHBondContact O-CD2 3.42Å; K226-Y228 PolarHBondContact O-N 2.79Å; Y228-F230 VanDerWaalsContact C-N 3.33Å; Y228-F230 PolarHBondContact O-N 3.21Å
229L50.3Low62Low36 Ų3690 Ų9019%0.18845%0.451CS..  trans-70.5-22.9-163.6-169.361.1000114T220 Y222T220-L229 WeakPolarHBondContact CB-O 3.41Å; T220-L229 HydrophobicContact CG2-CD1 3.92Å; T220-L229 WeakPolarHBondContact CG2-O 3.23Å; T220-L229 PolarHBondContact OG1-O 3.26Å; T220-L229 VanDerWaalsContact OG1-O 3.1Å; Y222-L229 HydrophobicContact CD2-CD1 3.66Å; Y222-L229 HydrophobicContact CD2-CD2 4.33Å; Y222-L229 HydrophobicContact CE2-CD1 4.38Å; Y222-L229 HydrophobicContact CE2-CD2 4.31Å
230F50.8Low62.4Low50 Ų5087.5 Ų87.522%0.21944%0.44CS..  trans-134.9121.1-171.3-53.6-66.9000113.5Y228 G233 P235 V238Y228-F230 VanDerWaalsContact C-N 3.33Å; Y228-F230 PolarHBondContact O-N 3.21Å; F230-G233 WeakPolarHBondContact CB-O 3.38Å; F230-P235 HydrophobicContact CD2-CB 3.97Å; F230-P235 HydrophobicContact CD2-CG 3.78Å; F230-P235 HydrophobicContact CE2-CB 3.59Å; F230-P235 HydrophobicContact CE2-CG 3.92Å; F230-V238 HydrophobicContact CD1-CB 4.03Å; F230-V238 HydrophobicContact CD1-CG1 4.38Å; F230-V238 HydrophobicContact CD1-CG2 3.43Å; F230-V238 VanDerWaalsContact CD1-CG2 3.43Å; F230-V238 HydrophobicContact CE1-CB 3.21Å; F230-V238 HydrophobicContact CE1-CG1 3.36Å; F230-V238 HydrophobicContact CE1-CG2 3.16Å; F230-V238 HydrophobicContact CE2-CB 4.31Å; F230-V238 HydrophobicContact CE2-CG2 4.46Å; F230-V238 HydrophobicContact CG-CG2 4.18Å; F230-V238 HydrophobicContact CZ-CB 3.32Å; F230-V238 HydrophobicContact CZ-CG1 3.72Å; F230-V238 HydrophobicContact CZ-CG2 3.68Å
231H51.7Low62.9Low164 Ų16488 Ų8876%0.75943%0.434SS*.SBendtrans-76.5-35.1162.1-99.7-42000111.4
232F54Low63.6Low86 Ų8680.6 Ų80.638%0.37740%0.4SS..SBendtrans-131.779.5-177.1-54.2-63.3000111.4M168 D218M168-F232 HydrophobicContact CE-CD1 3.23Å; M168-F232 HydrophobicContact CE-CE1 3.4Å; M168-F232 HydrophobicContact CE-CG 4.48Å; M168-F232 HydrophobicContact SD-CD1 4.17Å; D218-F232 WeakPolarHBondContact OD1-CD2 3.37Å
233G61.5Low64.9Low26 Ų2676.9 Ų76.927%0.26839%0.386SS..SBendtrans148.2155.7171.700000113.8F230F230-G233 WeakPolarHBondContact CB-O 3.38Å
234E70.1Confident66.5Low127 Ų12773.7 Ų73.759%0.59337%0.37SS*.  trans-78.9144.6173.1-61.5-63.1157.300110.1E236 E237 V238E234-E236 VanDerWaalsContact C-N 3.28Å; E234-E236 PolarHBondContact O-N 3.01Å; E234-E237 HydrophobicContact CB-CB 4.45Å; E234-E237 WeakPolarHBondContact O-CA 3.46Å; E234-E237 VanDerWaalsContact O-CB 3.28Å; E234-E237 WeakPolarHBondContact O-CB 3.33Å; E234-E237 PolarHBondContact O-N 3.24Å; E234-V238 PolarHBondContact O-N 3.05Å
235P71.9Confident68.3Low47 Ų4775.1 Ų75.131%0.30537%0.37SS..Hα-helixtrans-53.3-40.7-179.2-2631.9000116.6F230 E237 V238 E239F230-P235 HydrophobicContact CD2-CB 3.97Å; F230-P235 HydrophobicContact CD2-CG 3.78Å; F230-P235 HydrophobicContact CE2-CB 3.59Å; F230-P235 HydrophobicContact CE2-CG 3.92Å; P235-E237 PolarHBondContact O-N 3.4Å; P235-V238 PolarHBondContact O-N 2.82Å; P235-E239 WeakPolarHBondContact O-CG 3.31Å; P235-E239 PolarHBondContact O-N 3.32Å; P235-E239 VanDerWaalsContact O-N 3.09Å
236E75.1Confident70.6Confident86 Ų8670.2 Ų70.240%0.40235%0.347SS..Hα-helixtrans-65-31.8178.3-5382.3178.500110.8H37 E234 M240H37-E236 HydrophobicContact CB-CB 4.35Å; H37-E236 HydrophobicContact CB-CG 3.85Å; H37-E236 IonicContact CD2-OE1 2.66Å; H37-E236 IonicContact NE2-OE1 3.51Å; E234-E236 VanDerWaalsContact C-N 3.28Å; E234-E236 PolarHBondContact O-N 3.01Å; E236-M240 WeakPolarHBondContact O-CB 3.26Å; E236-M240 WeakPolarHBondContact O-CG 3.34Å; E236-M240 PolarHBondContact O-N 3.37Å
237E75.9Confident72.9Confident56 Ų5663.1 Ų63.126%0.26232%0.32SS..Hα-helixtrans-69-39.2-179.5-155.6-174163.100111.6E234 P235 R241E234-E237 HydrophobicContact CB-CB 4.45Å; E234-E237 WeakPolarHBondContact O-CA 3.46Å; E234-E237 VanDerWaalsContact O-CB 3.28Å; E234-E237 WeakPolarHBondContact O-CB 3.33Å; E234-E237 PolarHBondContact O-N 3.24Å; P235-E237 PolarHBondContact O-N 3.4Å; E237-R241 WeakPolarHBondContact O-CG 3.36Å; E237-R241 PolarHBondContact O-N 3.39Å; E237-R241 IonicContact OE1-CZ 3.56Å; E237-R241 IonicContact OE1-NH1 3.66Å; E237-R241 PolarHBondContact OE1-NH1 3.4Å; E237-R241 VanDerWaalsContact OE1-NH1 3.12Å; E237-R241 IonicContact OE1-NH2 2.87Å; E237-R241 PolarHBondContact OE1-NH2 2.66Å; E237-R241 IonicContact OE2-NH1 2.78Å
238V77.8Confident74.9Confident33 Ų3359 Ų5920%0.229%0.289CS..Hα-helixtrans-77.4-39.6179.9-179.50000111.9V31 F230 E234 P235 M240 R241 A242V31-V238 HydrophobicContact CG1-CG1 4.3Å; F230-V238 HydrophobicContact CD1-CB 4.03Å; F230-V238 HydrophobicContact CD1-CG1 4.38Å; F230-V238 HydrophobicContact CD1-CG2 3.43Å; F230-V238 VanDerWaalsContact CD1-CG2 3.43Å; F230-V238 HydrophobicContact CE1-CB 3.21Å; F230-V238 HydrophobicContact CE1-CG1 3.36Å; F230-V238 HydrophobicContact CE1-CG2 3.16Å; F230-V238 HydrophobicContact CE2-CB 4.31Å; F230-V238 HydrophobicContact CE2-CG2 4.46Å; F230-V238 HydrophobicContact CG-CG2 4.18Å; F230-V238 HydrophobicContact CZ-CB 3.32Å; F230-V238 HydrophobicContact CZ-CG1 3.72Å; F230-V238 HydrophobicContact CZ-CG2 3.68Å; E234-V238 PolarHBondContact O-N 3.05Å; P235-V238 PolarHBondContact O-N 2.82Å; V238-M240 VanDerWaalsContact C-N 3.26Å; V238-M240 PolarHBondContact O-N 3.07Å; V238-R241 PolarHBondContact O-N 3.28Å; V238-A242 WeakPolarHBondContact O-CB 2.92Å; V238-A242 PolarHBondContact O-N 3.06Å
239E83.5Confident77Confident16 Ų1650.7 Ų50.78%0.07526%0.258CS..Hα-helixtrans-56.2-45.3169.7-73.7-177.2-168.200111V31 A35 R36 H37 P235 R241 A242 L243V31-E239 HydrophobicContact CG1-CG 4.42Å; A35-E239 HydrophobicContact CB-CB 4.03Å; A35-E239 HydrophobicContact CB-CG 3.95Å; R36-E239 PolarHBondContact N-OE1 2.82Å; R36-E239 PolarHBondContact N-OE2 2.82Å; H37-E239 WeakPolarHBondContact CB-OE2 3.48Å; H37-E239 IonicContact CE1-OE1 3.89Å; H37-E239 IonicContact CG-OE2 3.94Å; H37-E239 PolarHBondContact N-OE2 2.89Å; H37-E239 IonicContact ND1-OE1 2.91Å; H37-E239 PolarHBondContact ND1-OE1 3.3Å; H37-E239 IonicContact ND1-OE2 3.49Å; H37-E239 PolarHBondContact ND1-OE2 2.85Å; P235-E239 WeakPolarHBondContact O-CG 3.31Å; P235-E239 PolarHBondContact O-N 3.32Å; P235-E239 VanDerWaalsContact O-N 3.09Å; E239-R241 PolarHBondContact O-N 3.46Å; E239-A242 PolarHBondContact O-N 2.94Å; E239-L243 WeakPolarHBondContact O-CB 3.19Å; E239-L243 VanDerWaalsContact O-CG 3.23Å; E239-L243 WeakPolarHBondContact O-CG 3.46Å; E239-L243 PolarHBondContact O-N 2.94Å
240M84.2Confident79Confident49 Ų4950.2 Ų50.224%0.24126%0.255CS..Hα-helixtrans-66.9-36.6-178.9-72.8-81.520.400112.7A38 E236 V238 L243 A244 L298A38-M240 HydrophobicContact CB-CE 3.88Å; A38-M240 HydrophobicContact CB-CG 4.27Å; A38-M240 HydrophobicContact CB-SD 3.25Å; A38-M240 WeakPolarHBondContact CB-SD 3.38Å; E236-M240 WeakPolarHBondContact O-CB 3.26Å; E236-M240 WeakPolarHBondContact O-CG 3.34Å; E236-M240 PolarHBondContact O-N 3.37Å; V238-M240 VanDerWaalsContact C-N 3.26Å; V238-M240 PolarHBondContact O-N 3.07Å; M240-L243 HydrophobicContact CE-CB 4.4Å; M240-L243 HydrophobicContact CE-CD1 4.14Å; M240-A244 WeakPolarHBondContact O-CB 3.23Å; M240-A244 PolarHBondContact O-N 3.45Å; M240-L298 HydrophobicContact CB-CD1 3.79Å; M240-L298 HydrophobicContact CB-CD2 3.86Å; M240-L298 HydrophobicContact CB-CG 3.92Å; M240-L298 HydrophobicContact CE-CD1 3.23Å; M240-L298 HydrophobicContact CE-CD2 3.73Å; M240-L298 HydrophobicContact CE-CG 4.03Å; M240-L298 HydrophobicContact CG-CD1 3.75Å; M240-L298 HydrophobicContact CG-CG 4.44Å; M240-L298 HydrophobicContact SD-CD1 3.23Å; M240-L298 WeakPolarHBondContact SD-CD1 3.33Å; M240-L298 HydrophobicContact SD-CG 4.37Å
241R83.8Confident81.2Confident81 Ų8148.1 Ų48.131%0.30625%0.246SC..Hα-helixtrans-63.3-45.4170.3-77-179.7179.2102.93.3112.1E237 V238 E239 L243 A244 N245E237-R241 WeakPolarHBondContact O-CG 3.36Å; E237-R241 PolarHBondContact O-N 3.39Å; E237-R241 IonicContact OE1-CZ 3.56Å; E237-R241 IonicContact OE1-NH1 3.66Å; E237-R241 PolarHBondContact OE1-NH1 3.4Å; E237-R241 VanDerWaalsContact OE1-NH1 3.12Å; E237-R241 IonicContact OE1-NH2 2.87Å; E237-R241 PolarHBondContact OE1-NH2 2.66Å; E237-R241 IonicContact OE2-NH1 2.78Å; V238-R241 PolarHBondContact O-N 3.28Å; E239-R241 PolarHBondContact O-N 3.46Å; R241-L243 PolarHBondContact O-N 3.19Å; R241-A244 PolarHBondContact O-N 2.99Å; R241-N245 PolarHBondContact O-N 3.21Å; R241-N245 PolarHBondContact O-ND2 3.14Å
242A87Confident83.2Confident6 Ų641 Ų415%0.0521%0.214CC..Hα-helixtrans-62.2-45-179.900000111.4T28 V31 A32 V238 E239 A244 N245 K246T28-A242 HydrophobicContact CG2-CB 4.39Å; T28-A242 WeakPolarHBondContact CG2-O 3.4Å; V31-A242 HydrophobicContact CB-CB 3.77Å; V31-A242 HydrophobicContact CG1-CB 3.52Å; A32-A242 HydrophobicContact CB-CB 4.05Å; V238-A242 WeakPolarHBondContact O-CB 2.92Å; V238-A242 PolarHBondContact O-N 3.06Å; E239-A242 PolarHBondContact O-N 2.94Å; A242-A244 PolarHBondContact O-N 3.14Å; A242-N245 PolarHBondContact O-N 2.49Å; A242-K246 WeakPolarHBondContact O-CB 3.35Å; A242-K246 PolarHBondContact O-N 3.21Å
243L90.9Very high85.2Confident6 Ų638.7 Ų38.73%0.03121%0.209CC..Hα-helixtrans-62.7-40.1175.3-68.9165.5000112A32 A35 A38 L40 E239 M240 R241 K246 C247A32-L243 HydrophobicContact CB-CD2 4.09Å; A32-L243 HydrophobicContact CB-CG 4.47Å; A35-L243 HydrophobicContact CB-CD1 4.02Å; A35-L243 HydrophobicContact CB-CD2 4.32Å; A35-L243 HydrophobicContact CB-CG 4.29Å; A38-L243 HydrophobicContact CB-CD1 3.52Å; A38-L243 WeakPolarHBondContact O-CD1 3.33Å; L40-L243 HydrophobicContact CD1-CD2 4.46Å; L40-L243 HydrophobicContact CD2-CB 4.08Å; L40-L243 HydrophobicContact CD2-CD2 4.36Å; L40-L243 HydrophobicContact CG-CD2 3.89Å; E239-L243 WeakPolarHBondContact O-CB 3.19Å; E239-L243 VanDerWaalsContact O-CG 3.23Å; E239-L243 WeakPolarHBondContact O-CG 3.46Å; E239-L243 PolarHBondContact O-N 2.94Å; M240-L243 HydrophobicContact CE-CB 4.4Å; M240-L243 HydrophobicContact CE-CD1 4.14Å; R241-L243 PolarHBondContact O-N 3.19Å; L243-K246 PolarHBondContact O-N 3.46Å; L243-C247 VanDerWaalsContact O-CB 3.23Å; L243-C247 WeakPolarHBondContact O-CB 3.47Å; L243-C247 PolarHBondContact O-N 3.45Å
244A90.7Very high86.9Confident32 Ų3239.4 Ų39.426%0.26421%0.207SC..Hα-helixtrans-63-44.3176.600000112.2M240 R241 A242 C247 L248 L298M240-A244 WeakPolarHBondContact O-CB 3.23Å; M240-A244 PolarHBondContact O-N 3.45Å; R241-A244 PolarHBondContact O-N 2.99Å; A242-A244 PolarHBondContact O-N 3.14Å; A244-C247 WeakPolarHBondContact O-CB 3.04Å; A244-C247 PolarHBondContact O-N 2.97Å; A244-L248 PolarHBondContact O-N 3.04Å; A244-L298 HydrophobicContact CB-CD2 4.32Å
245N90.3Very high88.2Confident63 Ų6333.4 Ų33.434%0.33718%0.178SC..Hα-helixtrans-63.5-45175.7-76.3-31.8000111.7T28 R241 A242 C247 L248 E249T28-N245 HydrophobicContact CG2-CB 3.55Å; R241-N245 PolarHBondContact O-N 3.21Å; R241-N245 PolarHBondContact O-ND2 3.14Å; A242-N245 PolarHBondContact O-N 2.49Å; N245-C247 VanDerWaalsContact C-N 3.31Å; N245-C247 PolarHBondContact O-N 3.45Å; N245-L248 PolarHBondContact O-N 2.93Å; N245-E249 PolarHBondContact O-N 3.48Å
246K90.7Very high89.4Confident27 Ų2731.9 Ų31.912%0.11717%0.168CC..Hα-helixtrans-61.3-39.4175.2-177.4169.5177.8163.70111.9W29 A32 E33 L40 A242 L243 E249 I250W29-K246 HydrophobicContact CD2-CD 4.44Å; W29-K246 HydrophobicContact CE3-CD 4.07Å; W29-K246 HydrophobicContact CH2-CD 4.27Å; W29-K246 HydrophobicContact CH2-CG 4.24Å; W29-K246 HydrophobicContact CZ2-CG 4.25Å; W29-K246 HydrophobicContact CZ3-CD 4Å; W29-K246 HydrophobicContact CZ3-CG 4.47Å; A32-K246 HydrophobicContact CB-CB 4.15Å; A32-K246 HydrophobicContact CB-CD 3.55Å; E33-K246 IonicContact OE1-NZ 2.74Å; L40-K246 HydrophobicContact CD1-CB 4.33Å; L40-K246 HydrophobicContact CD1-CD 4.26Å; L40-K246 HydrophobicContact CD1-CG 4Å; A242-K246 WeakPolarHBondContact O-CB 3.35Å; A242-K246 PolarHBondContact O-N 3.21Å; L243-K246 PolarHBondContact O-N 3.46Å; K246-E249 PolarHBondContact O-N 2.76Å; K246-I250 HydrophobicContact CG-CD1 3.85Å; K246-I250 HydrophobicContact CG-CG1 4.5Å; K246-I250 VanDerWaalsContact O-CG1 3.27Å; K246-I250 WeakPolarHBondContact O-CG1 3.18Å; K246-I250 PolarHBondContact O-N 3.02Å
247C93Very high90.4Very high32 Ų3231.3 Ų31.322%0.21617%0.168CC..Hα-helixtrans-59.4-49.3174.8-177.30000111.4L40 F45 L243 A244 N245 E249 I250 L251L40-C247 HydrophobicContact CD1-CB 4.47Å; L40-C247 HydrophobicContact CD2-CB 3.92Å; F45-C247 HydrophobicContact CE1-CB 4.45Å; F45-C247 HydrophobicContact CZ-CB 4.2Å; L243-C247 VanDerWaalsContact O-CB 3.23Å; L243-C247 WeakPolarHBondContact O-CB 3.47Å; L243-C247 PolarHBondContact O-N 3.45Å; A244-C247 WeakPolarHBondContact O-CB 3.04Å; A244-C247 PolarHBondContact O-N 2.97Å; N245-C247 VanDerWaalsContact C-N 3.31Å; N245-C247 PolarHBondContact O-N 3.45Å; C247-E249 VanDerWaalsContact C-N 3.34Å; C247-E249 PolarHBondContact O-N 2.8Å; C247-I250 PolarHBondContact O-N 3.39Å; C247-L251 WeakPolarHBondContact O-CB 3.33Å; C247-L251 WeakPolarHBondContact O-CG 3.46Å; C247-L251 PolarHBondContact O-N 3.19Å
248L92.3Very high91.4Very high17 Ų1733.3 Ų33.39%0.08917%0.173CC..Hα-helixtrans-58.5-45.1176.8-76.6174.1000111.6A244 N245 L251 T252 I273 D274 I277A244-L248 PolarHBondContact O-N 3.04Å; N245-L248 PolarHBondContact O-N 2.93Å; L248-L251 PolarHBondContact O-N 3.36Å; L248-T252 WeakPolarHBondContact O-CB 3.49Å; L248-T252 PolarHBondContact O-N 3.49Å; L248-T252 PolarHBondContact O-OG1 2.88Å; L248-I273 HydrophobicContact CD2-CG2 3.92Å; L248-D274 HydrophobicContact CD1-CB 4.17Å; L248-D274 HydrophobicContact CD2-CB 3.95Å; L248-I277 HydrophobicContact CD2-CD1 3.74Å
249E91.3Very high92.2Very high25 Ų2531.7 Ų31.712%0.11716%0.163CC..Hα-helixtrans-60.4-48.5178.3-173.3-169.814500112.5R6 W29 N245 K246 C247 T252 S253 R270R6-E249 IonicContact NH1-OE1 3.71Å; R6-E249 PolarHBondContact NH1-OE1 3.23Å; W29-E249 WeakPolarHBondContact CZ2-OE1 3.39Å; W29-E249 PolarHBondContact NE1-OE2 3.45Å; N245-E249 PolarHBondContact O-N 3.48Å; K246-E249 PolarHBondContact O-N 2.76Å; C247-E249 VanDerWaalsContact C-N 3.34Å; C247-E249 PolarHBondContact O-N 2.8Å; E249-T252 PolarHBondContact O-N 2.91Å; E249-S253 PolarHBondContact O-N 3.15Å; E249-R270 IonicContact OE2-NH2 3Å
250I93.5Very high92.8Very high26 Ų2637.3 Ų37.313%0.13318%0.184CC..Hα-helixtrans-62.6-45.8-179.9-64.7164.8000110L40 M42 F45 K246 C247 S253 L254L40-I250 HydrophobicContact CD1-CD1 4.19Å; M42-I250 HydrophobicContact CE-CD1 4.19Å; M42-I250 HydrophobicContact SD-CD1 4.31Å; F45-I250 HydrophobicContact CD1-CB 4.05Å; F45-I250 HydrophobicContact CD1-CG2 3.44Å; F45-I250 VanDerWaalsContact CD1-CG2 3.44Å; F45-I250 HydrophobicContact CE1-CB 3.81Å; F45-I250 HydrophobicContact CE1-CD1 4.34Å; F45-I250 HydrophobicContact CE1-CG2 3.72Å; F45-I250 HydrophobicContact CG-CG2 4.39Å; K246-I250 HydrophobicContact CG-CD1 3.85Å; K246-I250 HydrophobicContact CG-CG1 4.5Å; K246-I250 VanDerWaalsContact O-CG1 3.27Å; K246-I250 WeakPolarHBondContact O-CG1 3.18Å; K246-I250 PolarHBondContact O-N 3.02Å; C247-I250 PolarHBondContact O-N 3.39Å; I250-S253 PolarHBondContact O-N 3.37Å; I250-L254 HydrophobicContact CG2-CD1 3.86Å; I250-L254 HydrophobicContact CG2-CG 4.31Å; I250-L254 WeakPolarHBondContact O-CG 3.49Å; I250-L254 PolarHBondContact O-N 3.01Å
251L95.5Very high93.3Very high5 Ų539.2 Ų39.23%0.02620%0.201CC..Hα-helixtrans-63.1-42.5178.2-73.3175.1000112F45 V48 L52 C247 L248 S253 L254 V255 I273 I277F45-L251 HydrophobicContact CD1-CD2 3.7Å; F45-L251 HydrophobicContact CD1-CG 3.91Å; F45-L251 HydrophobicContact CE1-CD2 4.22Å; F45-L251 HydrophobicContact CE1-CG 3.94Å; F45-L251 HydrophobicContact CG-CD2 4.39Å; V48-L251 HydrophobicContact CB-CD2 4.06Å; V48-L251 HydrophobicContact CG1-CD1 4.06Å; V48-L251 HydrophobicContact CG1-CD2 3.74Å; L52-L251 HydrophobicContact CD1-CD1 4.46Å; C247-L251 WeakPolarHBondContact O-CB 3.33Å; C247-L251 WeakPolarHBondContact O-CG 3.46Å; C247-L251 PolarHBondContact O-N 3.19Å; L248-L251 PolarHBondContact O-N 3.36Å; L251-S253 VanDerWaalsContact C-N 3.32Å; L251-S253 PolarHBondContact O-N 3.15Å; L251-L254 PolarHBondContact O-N 2.82Å; L251-V255 WeakPolarHBondContact O-CB 3.36Å; L251-V255 VanDerWaalsContact O-CG2 3.25Å; L251-V255 WeakPolarHBondContact O-CG2 3.33Å; L251-V255 PolarHBondContact O-N 3.28Å; L251-I273 HydrophobicContact CB-CG2 4.14Å; L251-I277 HydrophobicContact CD1-CD1 4.02Å
252T95.3Very high93.8Very high15 Ų1540.3 Ų40.39%0.09221%0.21CC..Hα-helixtrans-58.8-43.8174.8-60.60000111.3L248 E249 N256 L268 I273L248-T252 WeakPolarHBondContact O-CB 3.49Å; L248-T252 PolarHBondContact O-N 3.49Å; L248-T252 PolarHBondContact O-OG1 2.88Å; E249-T252 PolarHBondContact O-N 2.91Å; T252-N256 WeakPolarHBondContact O-CB 3.49Å; T252-N256 VanDerWaalsContact O-CG 3.3Å; T252-N256 PolarHBondContact O-N 3.35Å; T252-N256 VanDerWaalsContact O-N 3.1Å; T252-N256 PolarHBondContact O-ND2 3.15Å; T252-N256 VanDerWaalsContact O-ND2 3.12Å; T252-L268 WeakPolarHBondContact CG2-O 3.35Å; T252-I273 WeakPolarHBondContact OG1-CG1 3.27Å
253S95.4Very high94Very high38 Ų3843.1 Ų43.127%0.26624%0.24SC..Hα-helixtrans-60.9-53.7175.8-169.40000111.3E249 I250 L251 V255 N256 D257E249-S253 PolarHBondContact O-N 3.15Å; I250-S253 PolarHBondContact O-N 3.37Å; L251-S253 VanDerWaalsContact C-N 3.32Å; L251-S253 PolarHBondContact O-N 3.15Å; S253-V255 PolarHBondContact O-N 3.43Å; S253-N256 PolarHBondContact O-N 3.41Å; S253-D257 WeakPolarHBondContact O-CB 3.35Å; S253-D257 VanDerWaalsContact O-CG 3.3Å; S253-D257 PolarHBondContact O-N 2.93Å; S253-D257 VanDerWaalsContact O-OD2 3.11Å; S253-D257 PolarHBondContact OG-OD2 3.25Å
254L97Very high94Very high41 Ų4144.9 Ų44.922%0.21525%0.252CS..Hα-helixtrans-60.3-45-176.9-71173.2000112.1F45 A49 I250 L251 N256 D257 R258F45-L254 HydrophobicContact CB-CD1 3.75Å; F45-L254 HydrophobicContact CD1-CD1 4.21Å; F45-L254 HydrophobicContact CG-CD1 4.49Å; A49-L254 HydrophobicContact CB-CB 3.83Å; I250-L254 HydrophobicContact CG2-CD1 3.86Å; I250-L254 HydrophobicContact CG2-CG 4.31Å; I250-L254 WeakPolarHBondContact O-CG 3.49Å; I250-L254 PolarHBondContact O-N 3.01Å; L251-L254 PolarHBondContact O-N 2.82Å; L254-N256 PolarHBondContact O-N 2.93Å; L254-D257 PolarHBondContact O-N 2.86Å; L254-R258 WeakPolarHBondContact O-CB 3.45Å; L254-R258 WeakPolarHBondContact O-CG 3.4Å; L254-R258 PolarHBondContact O-N 3.39Å
255V96.8Very high94Very high0 Ų052.9 Ų52.90%029%0.285CS..Hα-helixtrans-62.5-44.3178.4170.60000110.8A49 L52 V53 L251 S253 R258 L259 L268 I273A49-V255 HydrophobicContact CB-CG2 4.02Å; L52-V255 HydrophobicContact CB-CG2 3.86Å; L52-V255 HydrophobicContact CD1-CG2 4.1Å; V53-V255 HydrophobicContact CG2-CB 4.4Å; V53-V255 HydrophobicContact CG2-CG1 3.9Å; V53-V255 HydrophobicContact CG2-CG2 4.43Å; L251-V255 WeakPolarHBondContact O-CB 3.36Å; L251-V255 VanDerWaalsContact O-CG2 3.25Å; L251-V255 WeakPolarHBondContact O-CG2 3.33Å; L251-V255 PolarHBondContact O-N 3.28Å; S253-V255 PolarHBondContact O-N 3.43Å; V255-R258 PolarHBondContact O-N 3.31Å; V255-L259 HydrophobicContact CG1-CD1 4.04Å; V255-L259 HydrophobicContact CG1-CG 4.43Å; V255-L259 WeakPolarHBondContact O-CB 3.35Å; V255-L259 VanDerWaalsContact O-CG 3.3Å; V255-L259 WeakPolarHBondContact O-CG 3.25Å; V255-L259 PolarHBondContact O-N 2.86Å; V255-L268 HydrophobicContact CG1-CD1 3.8Å; V255-L268 HydrophobicContact CG1-CG 4.44Å; V255-I273 HydrophobicContact CB-CD1 4.14Å; V255-I273 HydrophobicContact CG1-CD1 4.05Å; V255-I273 HydrophobicContact CG2-CD1 4.1Å
256N97Very high94Very high15 Ų1551.5 Ų51.58%0.0828%0.282CS..Hα-helixtrans-67.3-36.8177.6-74.9-30.5000112.7T252 S253 L254 R260 L268T252-N256 WeakPolarHBondContact O-CB 3.49Å; T252-N256 VanDerWaalsContact O-CG 3.3Å; T252-N256 PolarHBondContact O-N 3.35Å; T252-N256 VanDerWaalsContact O-N 3.1Å; T252-N256 PolarHBondContact O-ND2 3.15Å; T252-N256 VanDerWaalsContact O-ND2 3.12Å; S253-N256 PolarHBondContact O-N 3.41Å; L254-N256 PolarHBondContact O-N 2.93Å; N256-R260 WeakPolarHBondContact O-CB 3.41Å; N256-R260 WeakPolarHBondContact O-CG 3.36Å; N256-R260 PolarHBondContact O-N 3.32Å; N256-L268 PolarHBondContact ND2-O 3.11Å; N256-L268 PolarHBondContact OD1-N 2.85Å
257D96.7Very high94.1Very high75 Ų7554.3 Ų54.340%0.40131%0.305SS..Hα-helixtrans-62.4-44.5173.4-73-38.4000111.3S253 L254 R260 S261S253-D257 WeakPolarHBondContact O-CB 3.35Å; S253-D257 VanDerWaalsContact O-CG 3.3Å; S253-D257 PolarHBondContact O-N 2.93Å; S253-D257 VanDerWaalsContact O-OD2 3.11Å; S253-D257 PolarHBondContact OG-OD2 3.25Å; L254-D257 PolarHBondContact O-N 2.86Å; D257-R260 PolarHBondContact O-N 3.18Å; D257-R260 IonicContact OD1-CZ 3.62Å; D257-R260 IonicContact OD1-NE 3.87Å; D257-R260 IonicContact OD1-NH2 2.63Å; D257-R260 PolarHBondContact OD1-NH2 3.11Å; D257-S261 WeakPolarHBondContact O-CB 3.45Å; D257-S261 PolarHBondContact O-N 2.82Å
258R96.5Very high94.1Very high97 Ų9753.2 Ų53.237%0.36630%0.297SS..Hα-helixtrans-63.2-47.8176.3-67.4-70.6-178.5-150.2-4.7111.6D46 D50 V53 L254 V255 R260 S261 E262D46-R258 IonicContact OD1-CZ 2.85Å; D46-R258 IonicContact OD1-NH2 3.65Å; D46-R258 PolarHBondContact OD1-NH2 2.92Å; D50-R258 IonicContact OD1-NE 2.92Å; V53-R258 HydrophobicContact CG2-CB 3.81Å; L254-R258 WeakPolarHBondContact O-CB 3.45Å; L254-R258 WeakPolarHBondContact O-CG 3.4Å; L254-R258 PolarHBondContact O-N 3.39Å; V255-R258 PolarHBondContact O-N 3.31Å; R258-R260 VanDerWaalsContact C-N 3.33Å; R258-R260 PolarHBondContact O-N 2.67Å; R258-S261 WeakPolarHBondContact CA-OG 3.36Å; R258-S261 PolarHBondContact O-N 3.23Å; R258-S261 VanDerWaalsContact O-N 3.12Å; R258-S261 PolarHBondContact O-OG 3.22Å; R258-E262 WeakPolarHBondContact O-CG 3.46Å; R258-E262 PolarHBondContact O-N 2.97Å; R258-E262 VanDerWaalsContact O-N 3.1Å
259L95.5Very high94Very high0 Ų055.8 Ų55.80%031%0.313CS..Hα-helixtrans-57.3-44.8176.9-73.6174.1000112V53 F56 V255 E262 G263 S264 L268V53-L259 HydrophobicContact CG1-CD2 4.01Å; V53-L259 HydrophobicContact CG2-CG 4.42Å; F56-L259 HydrophobicContact CD1-CD1 4.16Å; F56-L259 HydrophobicContact CD1-CD2 3.71Å; F56-L259 HydrophobicContact CE1-CD1 4.19Å; F56-L259 HydrophobicContact CE1-CD2 3.93Å; V255-L259 HydrophobicContact CG1-CD1 4.04Å; V255-L259 HydrophobicContact CG1-CG 4.43Å; V255-L259 WeakPolarHBondContact O-CB 3.35Å; V255-L259 VanDerWaalsContact O-CG 3.3Å; V255-L259 WeakPolarHBondContact O-CG 3.25Å; V255-L259 PolarHBondContact O-N 2.86Å; L259-E262 PolarHBondContact O-N 3.44Å; L259-G263 PolarHBondContact O-N 3.39Å; L259-S264 VanDerWaalsContact O-CB 3.25Å; L259-S264 WeakPolarHBondContact O-CB 3.37Å; L259-S264 PolarHBondContact O-N 2.93Å; L259-L268 HydrophobicContact CD1-CD1 4.32Å; L259-L268 HydrophobicContact CD1-CG 4Å
260R96Very high93.8Very high134 Ų13460.1 Ų60.151%0.50633%0.328SS..Hα-helixtrans-62.5-42.6174.7-77.2-171.8-69.4-92.54.6112.5N256 D257 R258 E262 G263N256-R260 WeakPolarHBondContact O-CB 3.41Å; N256-R260 WeakPolarHBondContact O-CG 3.36Å; N256-R260 PolarHBondContact O-N 3.32Å; D257-R260 PolarHBondContact O-N 3.18Å; D257-R260 IonicContact OD1-CZ 3.62Å; D257-R260 IonicContact OD1-NE 3.87Å; D257-R260 IonicContact OD1-NH2 2.63Å; D257-R260 PolarHBondContact OD1-NH2 3.11Å; R258-R260 VanDerWaalsContact C-N 3.33Å; R258-R260 PolarHBondContact O-N 2.67Å; R260-E262 PolarHBondContact O-N 3.39Å; R260-G263 PolarHBondContact O-N 3.02Å
261S94.7Very high93.5Very high88 Ų8864.4 Ų64.462%0.61535%0.349SS*.Hα-helixtrans-63.6-25.3179.573.70000113.3D257 R258 G263D257-S261 WeakPolarHBondContact O-CB 3.45Å; D257-S261 PolarHBondContact O-N 2.82Å; R258-S261 WeakPolarHBondContact CA-OG 3.36Å; R258-S261 PolarHBondContact O-N 3.23Å; R258-S261 VanDerWaalsContact O-N 3.12Å; R258-S261 PolarHBondContact O-OG 3.22Å; S261-G263 VanDerWaalsContact C-N 3.35Å
262E93.1Very high93.2Very high104 Ų10466.4 Ų66.449%0.48636%0.36SS..THydrogen-bonded Turntrans-91.35175.8-63.4177.1139.800113.1K57 R258 L259 R260K57-E262 WeakPolarHBondContact CE-OE2 3.45Å; K57-E262 IonicContact NZ-OE1 2.82Å; K57-E262 PolarHBondContact NZ-OE1 3.3Å; K57-E262 IonicContact NZ-OE2 2.64Å; K57-E262 PolarHBondContact NZ-OE2 3.46Å; R258-E262 WeakPolarHBondContact O-CG 3.46Å; R258-E262 PolarHBondContact O-N 2.97Å; R258-E262 VanDerWaalsContact O-N 3.1Å; L259-E262 PolarHBondContact O-N 3.44Å; R260-E262 PolarHBondContact O-N 3.39Å
263G92.1Very high93Very high66 Ų6665.7 Ų65.768%0.6836%0.356SS*.THydrogen-bonded Turntrans78.216.5-179.800000114.8L259 R260 S261L259-G263 PolarHBondContact O-N 3.39Å; R260-G263 PolarHBondContact O-N 3.02Å; S261-G263 VanDerWaalsContact C-N 3.35Å
264S91Very high92.5Very high42 Ų4265 Ų6529%0.29435%0.349SS..  trans-80.9131.6173.2-168.30000111.1L259 A266L259-S264 VanDerWaalsContact O-CB 3.25Å; L259-S264 WeakPolarHBondContact O-CB 3.37Å; L259-S264 PolarHBondContact O-N 2.93Å; S264-A266 WeakPolarHBondContact OG-CB 3.42Å; S264-A266 PolarHBondContact OG-N 3.3Å
265E90.7Very high92Very high201 Ų20165.5 Ų65.594%0.93935%0.349SS*.  trans-80.9-3.4170.8-62.4-175.6166.200113
266A90.7Very high91.5Very high33 Ų3365.5 Ų65.527%0.27335%0.349SS..  trans-70137.2179.400000111.2F56 S264F56-A266 HydrophobicContact CE1-CB 3.75Å; F56-A266 HydrophobicContact CZ-CB 3.52Å; S264-A266 WeakPolarHBondContact OG-CB 3.42Å; S264-A266 PolarHBondContact OG-N 3.3Å
267S92.2Very high91.1Very high87 Ų8767.7 Ų67.761%0.60836%0.36SS*.  trans-124.7125.6172-178.10000109.3
268L92.3Very high90.4Very high8 Ų866 Ų664%0.04235%0.351CS..  trans-94.9142.9178-56.1-165.1000110.8F56 L61 T252 V255 N256 L259 D272 I273 M276F56-L268 HydrophobicContact CB-CD1 4.29Å; F56-L268 HydrophobicContact CD2-CD1 4.05Å; F56-L268 HydrophobicContact CD2-CD2 3.8Å; F56-L268 HydrophobicContact CE2-CD2 3.62Å; F56-L268 HydrophobicContact CG-CD1 4.12Å; F56-L268 HydrophobicContact CG-CD2 4.47Å; F56-L268 HydrophobicContact CZ-CD2 4.15Å; L61-L268 HydrophobicContact CD1-CD1 4.19Å; L61-L268 HydrophobicContact CD1-CD2 3.46Å; L61-L268 VanDerWaalsContact CD1-CD2 3.46Å; L61-L268 HydrophobicContact CD1-CG 4.43Å; T252-L268 WeakPolarHBondContact CG2-O 3.35Å; V255-L268 HydrophobicContact CG1-CD1 3.8Å; V255-L268 HydrophobicContact CG1-CG 4.44Å; N256-L268 PolarHBondContact ND2-O 3.11Å; N256-L268 PolarHBondContact OD1-N 2.85Å; L259-L268 HydrophobicContact CD1-CD1 4.32Å; L259-L268 HydrophobicContact CD1-CG 4Å; L268-D272 HydrophobicContact CB-CB 4.2Å; L268-I273 HydrophobicContact CB-CD1 4.17Å; L268-I273 HydrophobicContact CB-CG1 4.49Å; L268-I273 HydrophobicContact CD1-CD1 3.85Å; L268-M276 HydrophobicContact CD1-SD 4.18Å
269T90.5Very high89.7Confident72 Ų7262.9 Ų62.944%0.44234%0.339SS..  trans-90.3169.1174.269.80000111.2M271 D272 I273T269-M271 PolarHBondContact O-N 2.94Å; T269-M271 PolarHBondContact OG1-N 3.06Å; T269-D272 WeakPolarHBondContact CB-OD2 3.1Å; T269-D272 PolarHBondContact N-OD2 3.15Å; T269-D272 PolarHBondContact O-N 3.36Å; T269-D272 VanDerWaalsContact OG1-CG 3.28Å; T269-D272 PolarHBondContact OG1-N 2.9Å; T269-D272 PolarHBondContact OG1-OD2 3.31Å; T269-I273 WeakPolarHBondContact O-CG1 3.44Å; T269-I273 PolarHBondContact O-N 3.21Å
270R88.2Confident89.2Confident115 Ų11564.4 Ų64.443%0.43435%0.347SS..Hα-helixtrans-58-35.6171.8-66.6178.8-176.2158.7-0.9111.9E25 E249 I273 D274E25-R270 IonicContact OE1-CZ 2.74Å; E25-R270 IonicContact OE1-NH1 3.96Å; E25-R270 IonicContact OE1-NH2 3.76Å; E25-R270 PolarHBondContact OE1-NH2 3.4Å; E249-R270 IonicContact OE2-NH2 3Å; R270-I273 PolarHBondContact O-N 3.15Å; R270-D274 WeakPolarHBondContact O-CB 3.29Å; R270-D274 PolarHBondContact O-N 2.82Å
271M85.8Confident88.4Confident116 Ų11661.9 Ų61.957%0.57134%0.338SS*.Hα-helixtrans-67.3-39.7177.8-67.6-55.7-58.300112.2T269 I273 D274 Y275T269-M271 PolarHBondContact O-N 2.94Å; T269-M271 PolarHBondContact OG1-N 3.06Å; M271-I273 VanDerWaalsContact C-N 3.34Å; M271-D274 PolarHBondContact O-N 3.05Å; M271-Y275 VanDerWaalsContact O-CB 3.26Å; M271-Y275 WeakPolarHBondContact O-CB 3.42Å; M271-Y275 PolarHBondContact O-N 3.13Å
272D88.9Confident87.3Confident47 Ų4760.7 Ų60.725%0.25132%0.324SS..Hα-helixtrans-63.1-43.7176.4-62.4-53.4000111.2L61 L268 T269 Y275 M276L61-D272 HydrophobicContact CD1-CB 3.77Å; L61-D272 HydrophobicContact CD2-CB 4.2Å; L268-D272 HydrophobicContact CB-CB 4.2Å; T269-D272 WeakPolarHBondContact CB-OD2 3.1Å; T269-D272 PolarHBondContact N-OD2 3.15Å; T269-D272 PolarHBondContact O-N 3.36Å; T269-D272 VanDerWaalsContact OG1-CG 3.28Å; T269-D272 PolarHBondContact OG1-N 2.9Å; T269-D272 PolarHBondContact OG1-OD2 3.31Å; D272-Y275 PolarHBondContact O-N 3.35Å; D272-M276 VanDerWaalsContact O-CG 3.23Å; D272-M276 WeakPolarHBondContact O-CG 3.47Å; D272-M276 PolarHBondContact O-N 2.92Å
273I91.1Very high86.5Confident0 Ų059 Ų590%032%0.316CS..Hα-helixtrans-65.4-47178-62.3-56.9000111.2L52 L248 L251 T252 V255 L268 T269 R270 M271 Y275 M276 I277L52-I273 HydrophobicContact CD1-CD1 4.47Å; L52-I273 HydrophobicContact CD1-CG2 4.14Å; L248-I273 HydrophobicContact CD2-CG2 3.92Å; L251-I273 HydrophobicContact CB-CG2 4.14Å; T252-I273 WeakPolarHBondContact OG1-CG1 3.27Å; V255-I273 HydrophobicContact CB-CD1 4.14Å; V255-I273 HydrophobicContact CG1-CD1 4.05Å; V255-I273 HydrophobicContact CG2-CD1 4.1Å; L268-I273 HydrophobicContact CB-CD1 4.17Å; L268-I273 HydrophobicContact CB-CG1 4.49Å; L268-I273 HydrophobicContact CD1-CD1 3.85Å; T269-I273 WeakPolarHBondContact O-CG1 3.44Å; T269-I273 PolarHBondContact O-N 3.21Å; R270-I273 PolarHBondContact O-N 3.15Å; M271-I273 VanDerWaalsContact C-N 3.34Å; I273-Y275 VanDerWaalsContact C-N 3.33Å; I273-Y275 PolarHBondContact O-N 2.88Å; I273-M276 PolarHBondContact O-N 2.74Å; I273-I277 HydrophobicContact CG2-CD1 3.84Å; I273-I277 HydrophobicContact CG2-CG1 4.48Å; I273-I277 VanDerWaalsContact O-CG1 3.31Å; I273-I277 WeakPolarHBondContact O-CG1 3.41Å; I273-I277 PolarHBondContact O-N 3Å
274D86.3Confident85.8Confident25 Ų2557.4 Ų57.413%0.13429%0.294CS..Hα-helixtrans-58.9-45.2176.9-17669000111.2L248 R270 M271 M276 I277 D278 S300L248-D274 HydrophobicContact CD1-CB 4.17Å; L248-D274 HydrophobicContact CD2-CB 3.95Å; R270-D274 WeakPolarHBondContact O-CB 3.29Å; R270-D274 PolarHBondContact O-N 2.82Å; M271-D274 PolarHBondContact O-N 3.05Å; D274-M276 PolarHBondContact O-N 3.15Å; D274-I277 PolarHBondContact O-N 3.12Å; D274-D278 PolarHBondContact O-N 3.38Å; D274-S300 PolarHBondContact OD1-OG 3.33Å
275Y85Confident84.6Confident51 Ų5159 Ų5920%0.230%0.298CS..Hα-helixtrans-59.2-44.3175166.8-97.5000112.4L61 D64 M271 D272 I273 I277 D278 R279L61-Y275 HydrophobicContact CD2-CD1 3.63Å; L61-Y275 HydrophobicContact CD2-CE1 3.91Å; D64-Y275 WeakPolarHBondContact CB-OH 3.22Å; D64-Y275 PolarHBondContact OD2-OH 3.22Å; M271-Y275 VanDerWaalsContact O-CB 3.26Å; M271-Y275 WeakPolarHBondContact O-CB 3.42Å; M271-Y275 PolarHBondContact O-N 3.13Å; D272-Y275 PolarHBondContact O-N 3.35Å; I273-Y275 VanDerWaalsContact C-N 3.33Å; I273-Y275 PolarHBondContact O-N 2.88Å; Y275-I277 VanDerWaalsContact C-N 3.34Å; Y275-I277 PolarHBondContact O-N 2.74Å; Y275-D278 PolarHBondContact O-N 2.85Å; Y275-R279 WeakPolarHBondContact O-CB 3.41Å; Y275-R279 PolarHBondContact O-N 3.23Å
276M87.8Confident83Confident0 Ų052.6 Ų52.60%027%0.273CS..Hα-helixtrans-65.6-36.7177.4-71.9174.765.600112.3L52 K55 F56 L61 L268 D272 I273 D274 D280L52-M276 HydrophobicContact CB-CE 4.24Å; L52-M276 HydrophobicContact CD2-CB 3.87Å; L52-M276 HydrophobicContact CD2-CE 4.05Å; L52-M276 WeakPolarHBondContact O-CE 3.43Å; K55-M276 HydrophobicContact CB-CE 3.66Å; F56-M276 HydrophobicContact CB-CE 3.94Å; F56-M276 HydrophobicContact CB-SD 4.43Å; L61-M276 HydrophobicContact CD1-SD 4.23Å; L61-M276 HydrophobicContact CD2-CG 3.89Å; L61-M276 HydrophobicContact CD2-SD 4.08Å; L61-M276 HydrophobicContact CG-CG 4.45Å; L61-M276 HydrophobicContact CG-SD 4.05Å; L268-M276 HydrophobicContact CD1-SD 4.18Å; D272-M276 VanDerWaalsContact O-CG 3.23Å; D272-M276 WeakPolarHBondContact O-CG 3.47Å; D272-M276 PolarHBondContact O-N 2.92Å; I273-M276 PolarHBondContact O-N 2.74Å; D274-M276 PolarHBondContact O-N 3.15Å; M276-D280 WeakPolarHBondContact O-CB 3.4Å; M276-D280 PolarHBondContact O-N 3.1Å
277I88.1Confident81.5Confident60 Ų6054.4 Ų54.431%0.30829%0.288SS..Hα-helixtrans-65.3-45.5174.2-69.6166.7000110.5L52 L248 L251 I273 D274 Y275 D280 R281L52-I277 HydrophobicContact CD2-CG1 4.43Å; L248-I277 HydrophobicContact CD2-CD1 3.74Å; L251-I277 HydrophobicContact CD1-CD1 4.02Å; I273-I277 HydrophobicContact CG2-CD1 3.84Å; I273-I277 HydrophobicContact CG2-CG1 4.48Å; I273-I277 VanDerWaalsContact O-CG1 3.31Å; I273-I277 WeakPolarHBondContact O-CG1 3.41Å; I273-I277 PolarHBondContact O-N 3Å; D274-I277 PolarHBondContact O-N 3.12Å; Y275-I277 VanDerWaalsContact C-N 3.34Å; Y275-I277 PolarHBondContact O-N 2.74Å; I277-D280 PolarHBondContact O-N 3.26Å; I277-R281 WeakPolarHBondContact O-CB 3.21Å; I277-R281 PolarHBondContact O-N 2.85Å
278D81.7Confident79.7Confident41 Ų4157.8 Ų57.822%0.21929%0.292CS..Hα-helixtrans-65.7-42.2178.4-168.451.9000111.8D274 Y275 R281 I282D274-D278 PolarHBondContact O-N 3.38Å; Y275-D278 PolarHBondContact O-N 2.85Å; D278-R281 WeakPolarHBondContact O-CB 3.5Å; D278-R281 PolarHBondContact O-N 3.42Å; D278-R281 IonicContact OD1-CZ 3.86Å; D278-R281 VanDerWaalsContact OD1-CZ 3.23Å; D278-R281 IonicContact OD1-NE 2.62Å; D278-R281 PolarHBondContact OD1-NE 3.33Å; D278-R281 IonicContact OD1-NH2 3.2Å; D278-R281 PolarHBondContact OD1-NH2 3.49Å; D278-I282 VanDerWaalsContact O-CG1 3.32Å; D278-I282 WeakPolarHBondContact O-CG1 3.48Å; D278-I282 PolarHBondContact O-N 2.79Å
279R82.6Confident77.6Confident30 Ų3062.1 Ų62.111%0.11331%0.312CS..Hα-helixtrans-60-47.4174.4-177.8173.4175.6172.8-0.2111.5W60 D63 Y275 R281 I282 E283W60-R279 HydrophobicContact CE3-CB 4.24Å; W60-R279 HydrophobicContact CE3-CG 3.96Å; W60-R279 HydrophobicContact CH2-CG 4.19Å; W60-R279 HydrophobicContact CZ3-CB 3.96Å; W60-R279 HydrophobicContact CZ3-CG 3.74Å; W60-R279 PolarHBondContact O-NH1 3.12Å; D63-R279 PolarHBondContact O-NH1 2.89Å; Y275-R279 WeakPolarHBondContact O-CB 3.41Å; Y275-R279 PolarHBondContact O-N 3.23Å; R279-R281 VanDerWaalsContact C-N 3.32Å; R279-R281 PolarHBondContact O-N 2.93Å; R279-I282 PolarHBondContact O-N 2.82Å; R279-E283 HydrophobicContact CG-CG 4.43Å; R279-E283 WeakPolarHBondContact CG-OE1 3.49Å; R279-E283 IonicContact CZ-OE1 3.86Å; R279-E283 IonicContact NE-OE1 3.63Å; R279-E283 PolarHBondContact NE-OE1 3.23Å; R279-E283 IonicContact NH2-OE1 2.77Å; R279-E283 WeakPolarHBondContact O-CB 3.39Å; R279-E283 WeakPolarHBondContact O-CG 3.46Å; R279-E283 PolarHBondContact O-N 3.24Å
280D84.8Confident75.3Confident33 Ų3368.5 Ų68.518%0.17633%0.334CS..Hα-helixtrans-61.9-40176.9-175.675.2000111.4K51 W60 M276 I277 I282 E283 S284K51-D280 WeakPolarHBondContact CE-OD1 3.34Å; K51-D280 IonicContact NZ-OD1 3.51Å; K51-D280 PolarHBondContact NZ-OD1 2.66Å; K51-D280 IonicContact NZ-OD2 2.89Å; K51-D280 PolarHBondContact NZ-OD2 3.13Å; W60-D280 HydrophobicContact CH2-CB 4.03Å; W60-D280 HydrophobicContact CZ3-CB 3.87Å; M276-D280 WeakPolarHBondContact O-CB 3.4Å; M276-D280 PolarHBondContact O-N 3.1Å; I277-D280 PolarHBondContact O-N 3.26Å; D280-I282 PolarHBondContact O-N 3.34Å; D280-E283 PolarHBondContact O-N 2.91Å; D280-S284 WeakPolarHBondContact O-CA 3.46Å; D280-S284 WeakPolarHBondContact O-CB 3.46Å; D280-S284 PolarHBondContact O-N 2.63Å; D280-S284 PolarHBondContact O-OG 2.93Å
281R78.3Confident73.2Confident80 Ų8066.7 Ų66.730%0.30235%0.351SS..Hα-helixtrans-60.9-43.7174.9-178.6-173.173.584.11.9112I277 D278 R279 I285 T286I277-R281 WeakPolarHBondContact O-CB 3.21Å; I277-R281 PolarHBondContact O-N 2.85Å; D278-R281 WeakPolarHBondContact O-CB 3.5Å; D278-R281 PolarHBondContact O-N 3.42Å; D278-R281 IonicContact OD1-CZ 3.86Å; D278-R281 VanDerWaalsContact OD1-CZ 3.23Å; D278-R281 IonicContact OD1-NE 2.62Å; D278-R281 PolarHBondContact OD1-NE 3.33Å; D278-R281 IonicContact OD1-NH2 3.2Å; D278-R281 PolarHBondContact OD1-NH2 3.49Å; R279-R281 VanDerWaalsContact C-N 3.32Å; R279-R281 PolarHBondContact O-N 2.93Å; R281-I285 HydrophobicContact CG-CD1 4.24Å; R281-I285 WeakPolarHBondContact O-CB 3.02Å; R281-I285 PolarHBondContact O-N 3.12Å; R281-I285 VanDerWaalsContact O-N 3.08Å; R281-T286 PolarHBondContact O-N 3Å
282I72.8Confident70.9Confident63 Ų6365.1 Ų65.132%0.32335%0.348SS..Iπ-helixtrans-65.4-49.6178.1-68.5166.3000109.9D278 R279 D280 T286 A287D278-I282 VanDerWaalsContact O-CG1 3.32Å; D278-I282 WeakPolarHBondContact O-CG1 3.48Å; D278-I282 PolarHBondContact O-N 2.79Å; R279-I282 PolarHBondContact O-N 2.82Å; D280-I282 PolarHBondContact O-N 3.34Å; I282-T286 WeakPolarHBondContact O-CB 3.4Å; I282-T286 PolarHBondContact O-N 2.68Å; I282-A287 PolarHBondContact O-N 2.66Å
283E76.7Confident68.4Low70 Ų7066.1 Ų66.133%0.32736%0.356SS..Iπ-helixtrans-72.7-32.6-175.7-69.3-179-170.700113.6W60 R66 R279 D280 A287W60-E283 WeakPolarHBondContact CH2-OE2 3.3Å; W60-E283 WeakPolarHBondContact CZ2-OE2 3.46Å; R66-E283 IonicContact CZ-OE1 3.97Å; R66-E283 IonicContact NH2-OE1 3.78Å; R66-E283 PolarHBondContact NH2-OE1 3Å; R279-E283 HydrophobicContact CG-CG 4.43Å; R279-E283 WeakPolarHBondContact CG-OE1 3.49Å; R279-E283 IonicContact CZ-OE1 3.86Å; R279-E283 IonicContact NE-OE1 3.63Å; R279-E283 PolarHBondContact NE-OE1 3.23Å; R279-E283 IonicContact NH2-OE1 2.77Å; R279-E283 WeakPolarHBondContact O-CB 3.39Å; R279-E283 WeakPolarHBondContact O-CG 3.46Å; R279-E283 PolarHBondContact O-N 3.24Å; D280-E283 PolarHBondContact O-N 2.91Å; E283-A287 WeakPolarHBondContact O-CB 3.25Å
284S75.8Confident65.8Low31 Ų3176 Ų7622%0.21740%0.395CS..Iπ-helixtrans-99.9-32.7-173.271.90000114.9D280 K288D280-S284 WeakPolarHBondContact O-CA 3.46Å; D280-S284 WeakPolarHBondContact O-CB 3.46Å; D280-S284 PolarHBondContact O-N 2.63Å; D280-S284 PolarHBondContact O-OG 2.93Å; S284-K288 WeakPolarHBondContact O-CD 3.37Å; S284-K288 WeakPolarHBondContact O-CG 3.47Å
285I66.2Low63.7Low75 Ų7580.8 Ų80.839%0.38541%0.414SS..Iπ-helixtrans-105.3-50.1-175.2-62166.2000110.3R281 A287 K288 H289 V293R281-I285 HydrophobicContact CG-CD1 4.24Å; R281-I285 WeakPolarHBondContact O-CB 3.02Å; R281-I285 PolarHBondContact O-N 3.12Å; R281-I285 VanDerWaalsContact O-N 3.08Å; I285-A287 PolarHBondContact O-N 3.43Å; I285-K288 PolarHBondContact O-N 3.38Å; I285-H289 PolarHBondContact O-N 3.29Å; I285-V293 HydrophobicContact CG2-CG2 4.44Å
286T58.3Low61.3Low68 Ų6883.4 Ų83.442%0.41744%0.438SS..Iπ-helixtrans-68.9-38-175.3-48.70000111.3R281 I282 K288R281-T286 PolarHBondContact O-N 3Å; I282-T286 WeakPolarHBondContact O-CB 3.4Å; I282-T286 PolarHBondContact O-N 2.68Å; T286-K288 VanDerWaalsContact C-N 3.34Å; T286-K288 PolarHBondContact O-N 2.64Å
287A57.9Low58.5Low70 Ų7092.7 Ų92.758%0.57948%0.478SS*.THydrogen-bonded Turntrans-70.1-27.5176.100000113.6I282 E283 I285I282-A287 PolarHBondContact O-N 2.66Å; E283-A287 WeakPolarHBondContact O-CB 3.25Å; I285-A287 PolarHBondContact O-N 3.43Å
288K54.6Low55.7Low158 Ų15893.2 Ų93.269%0.68748%0.481SS*.THydrogen-bonded Turntrans-90.8-25.1-177.2-66.8-170.7-170.8177.50114.2S284 I285 T286S284-K288 WeakPolarHBondContact O-CD 3.37Å; S284-K288 WeakPolarHBondContact O-CG 3.47Å; I285-K288 PolarHBondContact O-N 3.38Å; T286-K288 VanDerWaalsContact C-N 3.34Å; T286-K288 PolarHBondContact O-N 2.64Å
289H48.9Very low53.4Low99 Ų9996.4 Ų96.446%0.45849%0.49SS..  trans-123.373-176.2-65.9-36.4000111.7I285 G291I285-H289 PolarHBondContact O-N 3.29Å; H289-G291 VanDerWaalsContact C-N 3.34Å; H289-G291 PolarHBondContact O-N 3.1Å
290F42.3Very low50.9Low206 Ų20697.9 Ų97.990%0.90451%0.505SS*.SBendtrans-62.398.2157.4-101.8-88.7000108.6
291G43.5Very low48.6Very low78 Ų78101.1 Ų101.180%0.80452%0.521SS*.SBendtrans114.8-13.8165.100000117.6H289H289-G291 VanDerWaalsContact C-N 3.34Å; H289-G291 PolarHBondContact O-N 3.1Å
292T36.7Very low46.2Very low82 Ų82103.6 Ų103.650%0.50353%0.534SS..  trans-142.671-173.833.40000111.9Y294T292-Y294 PolarHBondContact O-N 3.4Å
293V37.3Very low44.2Very low68 Ų68107.4 Ų107.441%0.41255%0.546SS..  trans-87.5104.1165.4-178.60000108.2I285 F295I285-V293 HydrophobicContact CG2-CG2 4.44Å; V293-F295 HydrophobicContact CB-CD2 4.43Å; V293-F295 HydrophobicContact CB-CE2 4.24Å; V293-F295 HydrophobicContact CG1-CD2 3.96Å; V293-F295 HydrophobicContact CG1-CE2 3.89Å; V293-F295 HydrophobicContact CG1-CG 4.43Å; V293-F295 HydrophobicContact CG1-CZ 4.31Å; V293-F295 PolarHBondContact O-N 3.25Å; V293-F295 VanDerWaalsContact O-N 3.17Å
294Y37.4Very low42.6Very low209 Ų209109.3 Ų109.382%0.8256%0.556SS**  trans-71.8101.2164.5-73-84000108.2T292T292-Y294 PolarHBondContact O-N 3.4Å
295F41.5Very low40.8Very low124 Ų124113.4 Ų113.454%0.54457%0.574SS.*  trans-75.3137.4171.3-81.9-88.6000110.3V293V293-F295 HydrophobicContact CB-CD2 4.43Å; V293-F295 HydrophobicContact CB-CE2 4.24Å; V293-F295 HydrophobicContact CG1-CD2 3.96Å; V293-F295 HydrophobicContact CG1-CE2 3.89Å; V293-F295 HydrophobicContact CG1-CG 4.43Å; V293-F295 HydrophobicContact CG1-CZ 4.31Å; V293-F295 PolarHBondContact O-N 3.25Å; V293-F295 VanDerWaalsContact O-N 3.17Å
296P33.4Very low39.4Very low107 Ų107115.5 Ų115.570%0.69559%0.585SS**  -74.8133.5122.11.716.6000107.5L298P296-L298 VanDerWaalsContact C-N 3.32Å; P296-L298 PolarHBondContact O-N 2.9Å
297K29Very low38.3Very low195 Ų195118.3 Ų118.385%0.84860%0.595SS**SBendtrans-61.684.4-178.8-69.1176179.9172.60111.3
298L30Very low37.1Very low70 Ų70121.3 Ų121.337%0.36660%0.596SS.*  trans-142.4130.4160.6-94.199.7000112.2M240 A244 P296M240-L298 HydrophobicContact CB-CD1 3.79Å; M240-L298 HydrophobicContact CB-CD2 3.86Å; M240-L298 HydrophobicContact CB-CG 3.92Å; M240-L298 HydrophobicContact CE-CD1 3.23Å; M240-L298 HydrophobicContact CE-CD2 3.73Å; M240-L298 HydrophobicContact CE-CG 4.03Å; M240-L298 HydrophobicContact CG-CD1 3.75Å; M240-L298 HydrophobicContact CG-CG 4.44Å; M240-L298 HydrophobicContact SD-CD1 3.23Å; M240-L298 WeakPolarHBondContact SD-CD1 3.33Å; M240-L298 HydrophobicContact SD-CG 4.37Å; A244-L298 HydrophobicContact CB-CD2 4.32Å; P296-L298 VanDerWaalsContact C-N 3.32Å; P296-L298 PolarHBondContact O-N 2.9Å
299R34.3Very low35.9Very low109 Ų109118.9 Ų118.941%0.41159%0.59SS.*  trans-123.6133.5156.4-83.4-163179-158.9-7.1108.4W101W101-R299 HydrophobicContact CH2-CB 4.37Å; W101-R299 HydrophobicContact CH2-CG 4.46Å; W101-R299 HydrophobicContact CZ2-CB 4.42Å
300S29.3Very low35Very low61 Ų61120.3 Ų120.343%0.42760%0.599SS.*  trans-58144165.4-175.20000110.2D274D274-S300 PolarHBondContact OD1-OG 3.33Å
301I35.6Very low34.4Very low101 Ų101113.7 Ų113.752%0.51858%0.576SS.*  trans-102.94.8-169.8-159.5164.7000114.6Y303I301-Y303 VanDerWaalsContact C-N 3.3Å; I301-Y303 PolarHBondContact O-N 3.01Å
302F27.9Very low33.6Very low131 Ų131116.7 Ų116.758%0.57556%0.557SS**  trans-86.176.9171.8-64.1-67.2000110.9
303Y31.4Very low33.4Very low143 Ų143119.8 Ų119.856%0.56156%0.561SS**  trans-1230158.9-75.4-64.7000110.1I301I301-Y303 VanDerWaalsContact C-N 3.3Å; I301-Y303 PolarHBondContact O-N 3.01Å

Retrieved 303 of 303 residues in 338.6 ms (Link to these results)

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