A0A3Q0KM45_SCHMA Loading...

DNAj homolog subfamily B member, putative

AlphaFold DB , UniProt , Accession A0A3Q0KM45, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 348 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
1M57.7Low82.8Confident227 Ų22797.9 Ų97.9100%1.11850%0.498SS*.  04.50-68.1-172.9-179.400114.3
2N65.3Low83.7Confident113 Ų11390.8 Ų90.860%0.60446%0.463SS*.  trans-90.1-16.9-173.8-63.6-15.2000115.1N4 K5 D6N2-N4 VanDerWaalsContact C-N 3.29Å; N2-N4 PolarHBondContact O-N 2.9Å; N2-K5 WeakPolarHBondContact O-CB 3.4Å; N2-K5 PolarHBondContact O-N 3.3Å; N2-D6 PolarHBondContact O-N 3.19Å
3A70.4Confident84.4Confident70 Ų7094.7 Ų94.758%0.57948%0.475SS*.Hα-helixtrans-58.9-36.9-175.200000113.7K5 D6 E7A3-K5 VanDerWaalsContact C-N 3.3Å; A3-K5 PolarHBondContact O-N 3.41Å; A3-D6 PolarHBondContact O-N 3.18Å; A3-E7 PolarHBondContact O-N 3.44Å
4N80.9Confident85.1Confident93 Ų9392.5 Ų92.550%0.49747%0.465SS..Hα-helixtrans-69.4-28179.2-68.22.3000112.5N2 A8N2-N4 VanDerWaalsContact C-N 3.29Å; N2-N4 PolarHBondContact O-N 2.9Å; N4-A8 WeakPolarHBondContact O-CB 3.46Å; N4-A8 PolarHBondContact O-N 2.64Å
5K87Confident85.7Confident107 Ų10786.3 Ų86.347%0.46543%0.434SS..Hα-helixtrans-71.1-43.7177.9-62.8-168.1172.5-177.80111.3N2 A3 E7 A8 Q9N2-K5 WeakPolarHBondContact O-CB 3.4Å; N2-K5 PolarHBondContact O-N 3.3Å; A3-K5 VanDerWaalsContact C-N 3.3Å; A3-K5 PolarHBondContact O-N 3.41Å; K5-E7 PolarHBondContact O-N 3.1Å; K5-A8 PolarHBondContact O-N 3.27Å; K5-Q9 WeakPolarHBondContact O-CG 3.45Å; K5-Q9 PolarHBondContact O-N 2.83Å
6D87.9Confident86.2Confident88 Ų8888.8 Ų88.847%0.47144%0.436SS..Hα-helixtrans-65.3-39.8179-63.4-19.3000111.6N2 A3 Q9 K10N2-D6 PolarHBondContact O-N 3.19Å; A3-D6 PolarHBondContact O-N 3.18Å; D6-Q9 PolarHBondContact O-N 3.34Å; D6-K10 WeakPolarHBondContact O-CG 3.27Å; D6-K10 PolarHBondContact O-N 2.9Å
7E89.8Confident86.6Confident104 Ų10491.9 Ų91.949%0.48645%0.447SS..Hα-helixtrans-67.7-38174.6-75.4-166.216000112.9A3 K5 K10 C11 L37A3-E7 PolarHBondContact O-N 3.44Å; K5-E7 PolarHBondContact O-N 3.1Å; E7-K10 PolarHBondContact O-N 3.26Å; E7-C11 PolarHBondContact O-N 3.29Å; E7-C11 PolarHBondContact O-SG 3.29Å; E7-L37 HydrophobicContact CB-CD1 4.02Å
8A92.5Very high87Confident0 Ų091.8 Ų91.80%044%0.441CS..Hα-helixtrans-62.6-45174.600000111.1N4 K5 K10 C11 V12 L37 D38 V41N4-A8 WeakPolarHBondContact O-CB 3.46Å; N4-A8 PolarHBondContact O-N 2.64Å; K5-A8 PolarHBondContact O-N 3.27Å; A8-K10 PolarHBondContact O-N 3.07Å; A8-C11 WeakPolarHBondContact O-CB 3.17Å; A8-C11 PolarHBondContact O-N 2.93Å; A8-V12 PolarHBondContact O-N 2.88Å; A8-V12 VanDerWaalsContact O-N 3.08Å; A8-L37 HydrophobicContact CB-CB 3.99Å; A8-D38 HydrophobicContact CB-CB 3.59Å; A8-V41 HydrophobicContact CB-CB 4.21Å; A8-V41 HydrophobicContact CB-CG2 3.81Å
9Q92Very high87.2Confident126 Ų12689.2 Ų89.259%0.58943%0.429SS*.Hα-helixtrans-62.7-41.6175.8-73.1-176.3-10.400112.6K5 D6 C11 V12 F13K5-Q9 WeakPolarHBondContact O-CG 3.45Å; K5-Q9 PolarHBondContact O-N 2.83Å; D6-Q9 PolarHBondContact O-N 3.34Å; Q9-C11 VanDerWaalsContact C-N 3.31Å; Q9-C11 PolarHBondContact O-N 2.87Å; Q9-V12 PolarHBondContact O-N 3.16Å; Q9-F13 PolarHBondContact O-N 2.8Å
10K93.2Very high87.4Confident139 Ų13991.4 Ų91.460%0.60445%0.448SS*.Hα-helixtrans-59-41.8173.2-76.4173.1-175.6172.60111.7D6 E7 A8 V12 F13 I14D6-K10 WeakPolarHBondContact O-CG 3.27Å; D6-K10 PolarHBondContact O-N 2.9Å; E7-K10 PolarHBondContact O-N 3.26Å; A8-K10 PolarHBondContact O-N 3.07Å; K10-V12 VanDerWaalsContact C-N 3.35Å; K10-V12 PolarHBondContact O-N 3.49Å; K10-F13 PolarHBondContact O-N 3.36Å; K10-I14 VanDerWaalsContact O-CG1 3.28Å; K10-I14 WeakPolarHBondContact O-CG1 3.42Å; K10-I14 PolarHBondContact O-N 2.87Å
11C93.7Very high87.6Confident10 Ų1092.1 Ų92.17%0.06846%0.458CS..Hα-helixtrans-62.9-40.9177.1-69.20000111.9E7 A8 Q9 I14 A15 A34E7-C11 PolarHBondContact O-N 3.29Å; E7-C11 PolarHBondContact O-SG 3.29Å; A8-C11 WeakPolarHBondContact O-CB 3.17Å; A8-C11 PolarHBondContact O-N 2.93Å; Q9-C11 VanDerWaalsContact C-N 3.31Å; Q9-C11 PolarHBondContact O-N 2.87Å; C11-I14 PolarHBondContact O-N 3.39Å; C11-A15 WeakPolarHBondContact O-CB 3.3Å; C11-A15 PolarHBondContact O-N 3.15Å; C11-A34 HydrophobicContact CB-CB 3.72Å
12V93.6Very high89.1Confident12 Ų1284 Ų847%0.07343%0.433CS..Hα-helixtrans-62.8-43.8174.9174.70000111.6A8 Q9 K10 I14 A15 R16 A34 V41 I43 L46A8-V12 PolarHBondContact O-N 2.88Å; A8-V12 VanDerWaalsContact O-N 3.08Å; Q9-V12 PolarHBondContact O-N 3.16Å; K10-V12 VanDerWaalsContact C-N 3.35Å; K10-V12 PolarHBondContact O-N 3.49Å; V12-I14 VanDerWaalsContact C-N 3.35Å; V12-I14 PolarHBondContact O-N 3.22Å; V12-A15 WeakPolarHBondContact O-CB 3.39Å; V12-A15 PolarHBondContact O-N 3.47Å; V12-R16 PolarHBondContact O-N 3.2Å; V12-A34 HydrophobicContact CG2-CB 3.83Å; V12-V41 HydrophobicContact CG2-CG1 4.31Å; V12-V41 HydrophobicContact CG2-CG2 3.77Å; V12-I43 HydrophobicContact CG2-CG2 4.44Å; V12-L46 HydrophobicContact CG1-CD1 3.95Å
13F93.5Very high90.3Very high142 Ų14281.9 Ų81.962%0.62342%0.421SS*.Hα-helixtrans-59.8-44.1177.1-180-98000112.2Q9 K10 A15 R16 K17Q9-F13 PolarHBondContact O-N 2.8Å; K10-F13 PolarHBondContact O-N 3.36Å; F13-A15 VanDerWaalsContact C-N 3.34Å; F13-A15 PolarHBondContact O-N 3.31Å; F13-R16 PolarHBondContact O-N 2.89Å; F13-K17 PolarHBondContact O-N 3.08Å
14I93.9Very high91.3Very high64 Ų6486.4 Ų86.433%0.32842%0.424SS..Hα-helixtrans-66.1-38.7177.5-60.5163.1000110.9K10 C11 V12 R16 K17 R18 F30K10-I14 VanDerWaalsContact O-CG1 3.28Å; K10-I14 WeakPolarHBondContact O-CG1 3.42Å; K10-I14 PolarHBondContact O-N 2.87Å; C11-I14 PolarHBondContact O-N 3.39Å; V12-I14 VanDerWaalsContact C-N 3.35Å; V12-I14 PolarHBondContact O-N 3.22Å; I14-R16 VanDerWaalsContact C-N 3.35Å; I14-R16 PolarHBondContact O-N 3.19Å; I14-K17 PolarHBondContact O-N 2.8Å; I14-R18 PolarHBondContact O-N 3.23Å; I14-F30 HydrophobicContact CB-CD2 4.27Å; I14-F30 HydrophobicContact CB-CE2 4.25Å; I14-F30 HydrophobicContact CB-CG 4.41Å; I14-F30 HydrophobicContact CD1-CE1 4.3Å; I14-F30 HydrophobicContact CD1-CZ 4.45Å; I14-F30 HydrophobicContact CG2-CD1 4.43Å; I14-F30 HydrophobicContact CG2-CD2 3.53Å; I14-F30 HydrophobicContact CG2-CE1 4.25Å; I14-F30 HydrophobicContact CG2-CE2 3.19Å; I14-F30 HydrophobicContact CG2-CG 4.13Å; I14-F30 HydrophobicContact CG2-CZ 3.66Å
15A93.6Very high91.7Very high0 Ų087.8 Ų87.80%043%0.431CS..Hα-helixtrans-60.2-43.2175.300000111.9C11 V12 F13 R18 L19 A27 F30 L31C11-A15 WeakPolarHBondContact O-CB 3.3Å; C11-A15 PolarHBondContact O-N 3.15Å; V12-A15 WeakPolarHBondContact O-CB 3.39Å; V12-A15 PolarHBondContact O-N 3.47Å; F13-A15 VanDerWaalsContact C-N 3.34Å; F13-A15 PolarHBondContact O-N 3.31Å; A15-R18 PolarHBondContact O-N 3.27Å; A15-L19 PolarHBondContact O-N 2.64Å; A15-A27 WeakPolarHBondContact O-CB 3.44Å; A15-F30 HydrophobicContact CB-CB 3.96Å; A15-L31 HydrophobicContact CB-CD1 4.15Å; A15-L31 HydrophobicContact CB-CG 4Å
16R93.5Very high91.9Very high126 Ų12683 Ų8348%0.47541%0.412SS..Hα-helixtrans-61.5-46174.4-72.3-175.6174.6-169.6-2.9112V12 F13 I14 R18 L19 V20 E44 L46V12-R16 PolarHBondContact O-N 3.2Å; F13-R16 PolarHBondContact O-N 2.89Å; I14-R16 VanDerWaalsContact C-N 3.35Å; I14-R16 PolarHBondContact O-N 3.19Å; R16-R18 VanDerWaalsContact C-N 3.3Å; R16-R18 PolarHBondContact O-N 2.96Å; R16-L19 WeakPolarHBondContact O-CB 3.24Å; R16-L19 PolarHBondContact O-N 3.35Å; R16-V20 PolarHBondContact O-N 3.16Å; R16-E44 PolarHBondContact NH2-O 3.44Å; R16-L46 HydrophobicContact CG-CD1 4Å; R16-L46 HydrophobicContact CG-CD2 4.32Å
17K93.8Very high92.1Very high141 Ų14178.8 Ų78.861%0.61339%0.389SS*.Hα-helixtrans-60.5-40.4177.8-167.8176.7-178175.50112F13 I14 V20 T21F13-K17 PolarHBondContact O-N 3.08Å; I14-K17 PolarHBondContact O-N 2.8Å; K17-V20 PolarHBondContact O-N 2.79Å; K17-T21 PolarHBondContact O-N 2.73Å; K17-T21 PolarHBondContact O-OG1 2.97Å
18R94Very high92.3Very high90 Ų9078.1 Ų78.134%0.3439%0.385SS..Hα-helixtrans-68.4-34.9178.3-78.8-160.9169.9160.80.4113.7I14 A15 R16 T21 G22 D23 A27I14-R18 PolarHBondContact O-N 3.23Å; A15-R18 PolarHBondContact O-N 3.27Å; R16-R18 VanDerWaalsContact C-N 3.3Å; R16-R18 PolarHBondContact O-N 2.96Å; R18-T21 VanDerWaalsContact CA-OG1 3.31Å; R18-T21 WeakPolarHBondContact CA-OG1 3.27Å; R18-T21 CarbonylContact O-C 3.58Å; R18-T21 PolarHBondContact O-N 3.13Å; R18-T21 PolarHBondContact O-OG1 3.45Å; R18-G22 PolarHBondContact O-N 3.47Å; R18-G22 VanDerWaalsContact O-N 3.17Å; R18-D23 HydrophobicContact CB-CB 4.42Å; R18-D23 IonicContact NE-OD2 3.96Å; R18-D23 PolarHBondContact O-N 3.27Å; R18-A27 HydrophobicContact CB-CB 4.11Å
19L91.5Very high92.3Very high42 Ų4285.5 Ų85.522%0.2242%0.417CS..Hα-helixtrans-62.3-42.6172.8-89.1174.5000112.4A15 R16 T21 G22 R24 A27 L46 F48 L49A15-L19 PolarHBondContact O-N 2.64Å; R16-L19 WeakPolarHBondContact O-CB 3.24Å; R16-L19 PolarHBondContact O-N 3.35Å; L19-T21 PolarHBondContact O-N 2.92Å; L19-G22 PolarHBondContact O-N 3.47Å; L19-R24 HydrophobicContact CD2-CG 4.29Å; L19-A27 HydrophobicContact CD2-CB 4.3Å; L19-A27 HydrophobicContact CG-CB 3.79Å; L19-L46 HydrophobicContact CD1-CD2 3.14Å; L19-F48 HydrophobicContact CD1-CZ 4.11Å; L19-F48 HydrophobicContact CD2-CZ 4.07Å; L19-L49 HydrophobicContact CD1-CD1 3.83Å; L19-L49 HydrophobicContact CD2-CD1 4Å; L19-L49 HydrophobicContact CD2-CD2 4.32Å; L19-L49 HydrophobicContact CG-CD1 4.05Å
20V90.3Very high92.4Very high134 Ų13481.6 Ų81.681%0.81240%0.398SS*.Hα-helixtrans-61.4-34.8175.9176.50000111.1R16 K17 G22R16-V20 PolarHBondContact O-N 3.16Å; K17-V20 PolarHBondContact O-N 2.79Å; V20-G22 VanDerWaalsContact C-N 3.29Å; V20-G22 PolarHBondContact O-N 2.84Å
21T90.9Very high92.4Very high106 Ų10675 Ų7565%0.6537%0.369SS*.THydrogen-bonded Turntrans-81.3-0.5175.556.40000114.7K17 R18 L19K17-T21 PolarHBondContact O-N 2.73Å; K17-T21 PolarHBondContact O-OG1 2.97Å; R18-T21 VanDerWaalsContact CA-OG1 3.31Å; R18-T21 WeakPolarHBondContact CA-OG1 3.27Å; R18-T21 CarbonylContact O-C 3.58Å; R18-T21 PolarHBondContact O-N 3.13Å; R18-T21 PolarHBondContact O-OG1 3.45Å; L19-T21 PolarHBondContact O-N 2.92Å
22G90Very high92.3Very high58 Ų5877.7 Ų77.760%0.59838%0.383SS*.THydrogen-bonded Turntrans84.40.5179.300000116.2R18 L19 V20 R24R18-G22 PolarHBondContact O-N 3.47Å; R18-G22 VanDerWaalsContact O-N 3.17Å; L19-G22 PolarHBondContact O-N 3.47Å; V20-G22 VanDerWaalsContact C-N 3.29Å; V20-G22 PolarHBondContact O-N 2.84Å; G22-R24 PolarHBondContact O-N 2.8Å; G22-R24 VanDerWaalsContact O-N 3.11Å
23D90.6Very high92.3Very high67 Ų6782.3 Ų82.336%0.35840%0.402SS..  trans-84.982.2179.3-178.911.6000111.2R18 G26 A27R18-D23 HydrophobicContact CB-CB 4.42Å; R18-D23 IonicContact NE-OD2 3.96Å; R18-D23 PolarHBondContact O-N 3.27Å; D23-G26 PolarHBondContact OD1-N 2.97Å; D23-A27 WeakPolarHBondContact O-CB 3.38Å; D23-A27 PolarHBondContact O-N 3.39Å
24R91.3Very high92.2Very high166 Ų16675.6 Ų75.663%0.62637%0.372SS*.Hα-helixtrans-66-41-178.7-71-174.4173.4163.50.5113.1L19 G22 A27 K28 L49L19-R24 HydrophobicContact CD2-CG 4.29Å; G22-R24 PolarHBondContact O-N 2.8Å; G22-R24 VanDerWaalsContact O-N 3.11Å; R24-A27 PolarHBondContact O-N 2.91Å; R24-K28 PolarHBondContact O-N 3.08Å; R24-L49 HydrophobicContact CB-CD2 4.44Å
25D89.7Confident92Very high121 Ų12176.1 Ų76.165%0.64737%0.374SS*.Hα-helixtrans-68.7-40.8-179.4-68.3-44.5000111.3K28 K29D25-K28 PolarHBondContact O-N 2.89Å; D25-K29 WeakPolarHBondContact O-CG 3.32Å; D25-K29 PolarHBondContact O-N 3.18Å; D25-K29 VanDerWaalsContact O-N 3.12Å
26G90.6Very high91.8Very high6 Ų686.2 Ų86.26%0.06241%0.413CS..Hα-helixtrans-63.7-39.6173.500000112.8D23 F30D23-G26 PolarHBondContact OD1-N 2.97Å; G26-F30 WeakPolarHBondContact O-CD2 3.49Å; G26-F30 PolarHBondContact O-N 2.74Å
27A93.1Very high91.6Very high0 Ų082.4 Ų82.40%040%0.401CS..Hα-helixtrans-64.3-44.2174.800000112.1A15 R18 L19 D23 R24 K29 F30 L31 L49A15-A27 WeakPolarHBondContact O-CB 3.44Å; R18-A27 HydrophobicContact CB-CB 4.11Å; L19-A27 HydrophobicContact CD2-CB 4.3Å; L19-A27 HydrophobicContact CG-CB 3.79Å; D23-A27 WeakPolarHBondContact O-CB 3.38Å; D23-A27 PolarHBondContact O-N 3.39Å; R24-A27 PolarHBondContact O-N 2.91Å; A27-K29 VanDerWaalsContact C-N 3.34Å; A27-K29 PolarHBondContact O-N 3.4Å; A27-F30 PolarHBondContact O-N 2.81Å; A27-L31 PolarHBondContact O-N 2.68Å; A27-L49 HydrophobicContact CB-CD1 3.83Å
28K93.4Very high91.4Very high91 Ų9176.8 Ų76.840%0.39638%0.378SS..Hα-helixtrans-58.5-43177-175.9177.8-178.1177.90112.3R24 D25 F30 L31 L32 L49R24-K28 PolarHBondContact O-N 3.08Å; D25-K28 PolarHBondContact O-N 2.89Å; K28-F30 PolarHBondContact O-N 3.3Å; K28-L31 PolarHBondContact O-N 3.06Å; K28-L32 HydrophobicContact CG-CD1 4.3Å; K28-L32 WeakPolarHBondContact O-CG 3.37Å; K28-L32 PolarHBondContact O-N 3.41Å; K28-L49 WeakPolarHBondContact CD-O 3.21Å; K28-L49 WeakPolarHBondContact CE-O 3.46Å
29K92.5Very high90.9Very high155 Ų15578.4 Ų78.467%0.67440%0.4SS*.Hα-helixtrans-60.1-43.5177.5-73.1176-177179.60112.4D25 A27 L32 K33D25-K29 WeakPolarHBondContact O-CG 3.32Å; D25-K29 PolarHBondContact O-N 3.18Å; D25-K29 VanDerWaalsContact O-N 3.12Å; A27-K29 VanDerWaalsContact C-N 3.34Å; A27-K29 PolarHBondContact O-N 3.4Å; K29-L32 PolarHBondContact O-N 2.63Å; K29-K33 PolarHBondContact O-N 2.63Å; K29-K33 VanDerWaalsContact O-N 3.08Å
30F94.1Very high90.7Very high44 Ų4480.7 Ų80.719%0.19342%0.419CS..Hα-helixtrans-69.8-36.5178.6-82.2-61.4000113.2I14 A15 G26 A27 K28 K33 A34I14-F30 HydrophobicContact CB-CD2 4.27Å; I14-F30 HydrophobicContact CB-CE2 4.25Å; I14-F30 HydrophobicContact CB-CG 4.41Å; I14-F30 HydrophobicContact CD1-CE1 4.3Å; I14-F30 HydrophobicContact CD1-CZ 4.45Å; I14-F30 HydrophobicContact CG2-CD1 4.43Å; I14-F30 HydrophobicContact CG2-CD2 3.53Å; I14-F30 HydrophobicContact CG2-CE1 4.25Å; I14-F30 HydrophobicContact CG2-CE2 3.19Å; I14-F30 HydrophobicContact CG2-CG 4.13Å; I14-F30 HydrophobicContact CG2-CZ 3.66Å; A15-F30 HydrophobicContact CB-CB 3.96Å; G26-F30 WeakPolarHBondContact O-CD2 3.49Å; G26-F30 PolarHBondContact O-N 2.74Å; A27-F30 PolarHBondContact O-N 2.81Å; K28-F30 PolarHBondContact O-N 3.3Å; F30-K33 PolarHBondContact O-N 3.47Å; F30-A34 PolarHBondContact O-N 3.34Å
31L93Very high90.5Very high0 Ų075 Ų750%039%0.385CS..Hα-helixtrans-61.4-46.5172.1-93.9149.7000112.5A15 A27 K28 K33 A34 M35 I43 L46 L49 V50A15-L31 HydrophobicContact CB-CD1 4.15Å; A15-L31 HydrophobicContact CB-CG 4Å; A27-L31 PolarHBondContact O-N 2.68Å; K28-L31 PolarHBondContact O-N 3.06Å; L31-K33 PolarHBondContact O-N 2.93Å; L31-A34 WeakPolarHBondContact O-CB 3.5Å; L31-A34 PolarHBondContact O-N 3.47Å; L31-A34 VanDerWaalsContact O-N 3.14Å; L31-M35 WeakPolarHBondContact O-CG 3.37Å; L31-M35 PolarHBondContact O-N 3.24Å; L31-I43 HydrophobicContact CD2-CB 4.04Å; L31-I43 HydrophobicContact CD2-CG2 3.52Å; L31-L46 HydrophobicContact CD1-CB 3.71Å; L31-L46 HydrophobicContact CD1-CD1 4.12Å; L31-L46 HydrophobicContact CD1-CD2 4.2Å; L31-L46 HydrophobicContact CD1-CG 4.23Å; L31-L46 HydrophobicContact CD2-CB 3.81Å; L31-L46 HydrophobicContact CD2-CD1 3.92Å; L31-L46 HydrophobicContact CD2-CG 4.48Å; L31-L46 HydrophobicContact CG-CB 4.34Å; L31-L46 HydrophobicContact CG-CD1 4.26Å; L31-L49 HydrophobicContact CD1-CB 4.16Å; L31-L49 HydrophobicContact CD1-CD1 3.5Å; L31-L49 VanDerWaalsContact CD1-CD1 3.5Å; L31-L49 HydrophobicContact CD1-CG 4.44Å; L31-V50 HydrophobicContact CB-CG2 4.15Å
32L91.6Very high90.2Very high66 Ų6674.9 Ų74.935%0.34638%0.381SS..Hα-helixtrans-61.2-35.3175.7-71.3172.4000111.9K28 K29 R36 V50K28-L32 HydrophobicContact CG-CD1 4.3Å; K28-L32 WeakPolarHBondContact O-CG 3.37Å; K28-L32 PolarHBondContact O-N 3.41Å; K29-L32 PolarHBondContact O-N 2.63Å; L32-R36 WeakPolarHBondContact O-CG 3.33Å; L32-R36 PolarHBondContact O-N 3.4Å; L32-V50 HydrophobicContact CD2-CG1 4.25Å
33K92.6Very high90Very high110 Ų11073.7 Ų73.748%0.47836%0.36SS..Hα-helixtrans-67.5-43.6173.4-171.6178178.4-177.80111.8K29 F30 L31 M35 R36 L37K29-K33 PolarHBondContact O-N 2.63Å; K29-K33 VanDerWaalsContact O-N 3.08Å; F30-K33 PolarHBondContact O-N 3.47Å; L31-K33 PolarHBondContact O-N 2.93Å; K33-M35 PolarHBondContact O-N 3.01Å; K33-R36 PolarHBondContact O-N 3.03Å; K33-L37 HydrophobicContact CG-CD1 4.2Å; K33-L37 WeakPolarHBondContact O-CG 3.3Å; K33-L37 PolarHBondContact O-N 3.43Å; K33-L37 VanDerWaalsContact O-N 3.13Å
34A92.2Very high89.5Confident0 Ų077.1 Ų77.10%037%0.374CS..Hα-helixtrans-59-46.7177.200000111.6C11 V12 F30 L31 R36 L37 D38 V41C11-A34 HydrophobicContact CB-CB 3.72Å; V12-A34 HydrophobicContact CG2-CB 3.83Å; F30-A34 PolarHBondContact O-N 3.34Å; L31-A34 WeakPolarHBondContact O-CB 3.5Å; L31-A34 PolarHBondContact O-N 3.47Å; L31-A34 VanDerWaalsContact O-N 3.14Å; A34-R36 VanDerWaalsContact C-N 3.27Å; A34-R36 PolarHBondContact O-N 2.9Å; A34-L37 PolarHBondContact O-N 3.48Å; A34-L37 VanDerWaalsContact O-N 3.13Å; A34-D38 PolarHBondContact O-N 2.67Å; A34-V41 HydrophobicContact CB-CG1 4.1Å
35M89.3Confident89Confident76 Ų7672.1 Ų72.137%0.37437%0.374SS..Hα-helixtrans-64.4-28.4178.1-67.3179.173.200113.5L31 K33 V50L31-M35 WeakPolarHBondContact O-CG 3.37Å; L31-M35 PolarHBondContact O-N 3.24Å; K33-M35 PolarHBondContact O-N 3.01Å; M35-V50 HydrophobicContact SD-CG1 3.98Å; M35-V50 HydrophobicContact SD-CG2 4.32Å
36R89.5Confident88.8Confident212 Ų21266.6 Ų66.680%0.835%0.345SS*.Hα-helixtrans-74.8-32.2173.9-75176.5-171.6172.21.8112.8L32 K33 A34L32-R36 WeakPolarHBondContact O-CG 3.33Å; L32-R36 PolarHBondContact O-N 3.4Å; K33-R36 PolarHBondContact O-N 3.03Å; A34-R36 VanDerWaalsContact C-N 3.27Å; A34-R36 PolarHBondContact O-N 2.9Å
37L89.6Confident88.4Confident45 Ų4570.6 Ų70.624%0.23636%0.362CS..Hα-helixtrans-79.4-43.7-179.2-72.4167.6000111.7E7 A8 K33 A34E7-L37 HydrophobicContact CB-CD1 4.02Å; A8-L37 HydrophobicContact CB-CB 3.99Å; K33-L37 HydrophobicContact CG-CD1 4.2Å; K33-L37 WeakPolarHBondContact O-CG 3.3Å; K33-L37 PolarHBondContact O-N 3.43Å; K33-L37 VanDerWaalsContact O-N 3.13Å; A34-L37 PolarHBondContact O-N 3.48Å; A34-L37 VanDerWaalsContact O-N 3.13Å
38D88.8Confident88Confident24 Ų2476.2 Ų76.213%0.12839%0.386CS..  trans-143.3106.4176.5-174.8-1.1000109.9A8 A34 S40 V41A8-D38 HydrophobicContact CB-CB 3.59Å; A34-D38 PolarHBondContact O-N 2.67Å; D38-S40 VanDerWaalsContact CG-OG 3.3Å; D38-S40 PolarHBondContact O-N 3.36Å; D38-S40 VanDerWaalsContact O-N 3.14Å; D38-S40 WeakPolarHBondContact OD1-CB 3.25Å; D38-S40 PolarHBondContact OD1-N 3.15Å; D38-S40 PolarHBondContact OD1-OG 3.44Å; D38-S40 PolarHBondContact OD2-OG 2.98Å; D38-V41 HydrophobicContact CB-CB 4.27Å; D38-V41 WeakPolarHBondContact O-CB 3.24Å; D38-V41 WeakPolarHBondContact O-CG1 3.29Å; D38-V41 PolarHBondContact O-N 3.35Å; D38-V41 VanDerWaalsContact O-N 3.13Å
39P85.3Confident87.3Confident123 Ų12372.8 Ų72.880%0.79937%0.372SS*.THydrogen-bonded Turntrans-60.4-18.9175.5-24.134.4000114
40S85.7Confident86.7Confident90 Ų9067.5 Ų67.563%0.62935%0.353SS*.THydrogen-bonded Turntrans-936.2178.871.20000114.1D38 N42D38-S40 VanDerWaalsContact CG-OG 3.3Å; D38-S40 PolarHBondContact O-N 3.36Å; D38-S40 VanDerWaalsContact O-N 3.14Å; D38-S40 WeakPolarHBondContact OD1-CB 3.25Å; D38-S40 PolarHBondContact OD1-N 3.15Å; D38-S40 PolarHBondContact OD1-OG 3.44Å; D38-S40 PolarHBondContact OD2-OG 2.98Å; S40-N42 PolarHBondContact O-N 3.18Å
41V85.9Confident85.8Confident16 Ų1671.6 Ų71.610%0.09737%0.371CS..  trans-64.8134.2-17779.20000111.9A8 V12 A34 D38 I43A8-V41 HydrophobicContact CB-CB 4.21Å; A8-V41 HydrophobicContact CB-CG2 3.81Å; V12-V41 HydrophobicContact CG2-CG1 4.31Å; V12-V41 HydrophobicContact CG2-CG2 3.77Å; A34-V41 HydrophobicContact CB-CG1 4.1Å; D38-V41 HydrophobicContact CB-CB 4.27Å; D38-V41 WeakPolarHBondContact O-CB 3.24Å; D38-V41 WeakPolarHBondContact O-CG1 3.29Å; D38-V41 PolarHBondContact O-N 3.35Å; D38-V41 VanDerWaalsContact O-N 3.13Å; V41-I43 HydrophobicContact CG1-CG2 3.89Å; V41-I43 PolarHBondContact O-N 3.47Å; V41-I43 VanDerWaalsContact O-N 3.17Å
42N86.1Confident84.1Confident103 Ų10377.6 Ų77.655%0.55141%0.41SS*.  trans-68.5112.6178.5-174.4-15.6000110.8S40 E44S40-N42 PolarHBondContact O-N 3.18Å; N42-E44 WeakPolarHBondContact OD1-CB 3.43Å; N42-E44 PolarHBondContact OD1-N 3.24Å
43I84.3Confident82.1Confident33 Ų3385.4 Ų85.417%0.16944%0.435CS..  trans-112.223.2178.456.4169.6000113V12 L31 V41 G45 L46 E47V12-I43 HydrophobicContact CG2-CG2 4.44Å; L31-I43 HydrophobicContact CD2-CB 4.04Å; L31-I43 HydrophobicContact CD2-CG2 3.52Å; V41-I43 HydrophobicContact CG1-CG2 3.89Å; V41-I43 PolarHBondContact O-N 3.47Å; V41-I43 VanDerWaalsContact O-N 3.17Å; I43-G45 PolarHBondContact O-N 3.47Å; I43-L46 WeakPolarHBondContact O-CB 3.45Å; I43-L46 PolarHBondContact O-N 3.09Å; I43-E47 HydrophobicContact CD1-CG 4.36Å
44E81.5Confident80Confident138 Ų13885.9 Ų85.965%0.64545%0.451SS*.THydrogen-bonded Turntrans-53.9128.8-178.6-168.1173.8-163.900111.5R16 N42 L46R16-E44 PolarHBondContact NH2-O 3.44Å; N42-E44 WeakPolarHBondContact OD1-CB 3.43Å; N42-E44 PolarHBondContact OD1-N 3.24Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 3.4Å
45G79.8Confident77.6Confident62 Ų6297.7 Ų97.764%0.63950%0.496SS*.THydrogen-bonded Turntrans81.4-3.1-175.900000115.8I43 F48I43-G45 PolarHBondContact O-N 3.47Å; G45-F48 WeakPolarHBondContact O-CD1 3.47Å; G45-F48 WeakPolarHBondContact O-CE1 3.21Å
46L85.3Confident75.4Confident5 Ų599.4 Ų99.43%0.02652%0.515CS..THydrogen-bonded Turntrans-112.2-3.2-176.6-64.5170.7000114.3V12 R16 L19 L31 I43 E44 F48 L49V12-L46 HydrophobicContact CG1-CD1 3.95Å; R16-L46 HydrophobicContact CG-CD1 4Å; R16-L46 HydrophobicContact CG-CD2 4.32Å; L19-L46 HydrophobicContact CD1-CD2 3.14Å; L31-L46 HydrophobicContact CD1-CB 3.71Å; L31-L46 HydrophobicContact CD1-CD1 4.12Å; L31-L46 HydrophobicContact CD1-CD2 4.2Å; L31-L46 HydrophobicContact CD1-CG 4.23Å; L31-L46 HydrophobicContact CD2-CB 3.81Å; L31-L46 HydrophobicContact CD2-CD1 3.92Å; L31-L46 HydrophobicContact CD2-CG 4.48Å; L31-L46 HydrophobicContact CG-CB 4.34Å; L31-L46 HydrophobicContact CG-CD1 4.26Å; I43-L46 WeakPolarHBondContact O-CB 3.45Å; I43-L46 PolarHBondContact O-N 3.09Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 3.4Å; L46-F48 PolarHBondContact O-N 3.36Å; L46-F48 VanDerWaalsContact O-N 3.13Å; L46-L49 PolarHBondContact O-N 3.49Å; L46-L49 VanDerWaalsContact O-N 3.13Å
47E82Confident73Confident89 Ų8994.6 Ų94.642%0.41651%0.514SS..G310 helixtrans-58.9-29.7-173.8-59.3-171.6179.700113.9I43 L49 V50 K51I43-E47 HydrophobicContact CD1-CG 4.36Å; E47-L49 PolarHBondContact O-N 3.16Å; E47-L49 VanDerWaalsContact O-N 3.16Å; E47-V50 PolarHBondContact O-N 3.2Å; E47-V50 VanDerWaalsContact O-N 3.11Å; E47-K51 HydrophobicContact CB-CD 4.46Å; E47-K51 PolarHBondContact O-N 3.45Å; E47-K51 IonicContact OE2-NZ 2.8Å; E47-K51 PolarHBondContact OE2-NZ 2.69Å
48F84.6Confident70.9Confident118 Ų11897.6 Ų97.652%0.51854%0.539SS..G310 helixtrans-63.7-18.8-179.472.9-92.5000113.6L19 G45 L46L19-F48 HydrophobicContact CD1-CZ 4.11Å; L19-F48 HydrophobicContact CD2-CZ 4.07Å; G45-F48 WeakPolarHBondContact O-CD1 3.47Å; G45-F48 WeakPolarHBondContact O-CE1 3.21Å; L46-F48 PolarHBondContact O-N 3.36Å; L46-F48 VanDerWaalsContact O-N 3.13Å
49L79.5Confident68.6Low19 Ų19102.4 Ų102.410%0.09957%0.57CS.*G310 helixtrans-82.3-23.8176.8-70.1177.2000113.3L19 R24 A27 K28 L31 L46 E47L19-L49 HydrophobicContact CD1-CD1 3.83Å; L19-L49 HydrophobicContact CD2-CD1 4Å; L19-L49 HydrophobicContact CD2-CD2 4.32Å; L19-L49 HydrophobicContact CG-CD1 4.05Å; R24-L49 HydrophobicContact CB-CD2 4.44Å; A27-L49 HydrophobicContact CB-CD1 3.83Å; K28-L49 WeakPolarHBondContact CD-O 3.21Å; K28-L49 WeakPolarHBondContact CE-O 3.46Å; L31-L49 HydrophobicContact CD1-CB 4.16Å; L31-L49 HydrophobicContact CD1-CD1 3.5Å; L31-L49 VanDerWaalsContact CD1-CD1 3.5Å; L31-L49 HydrophobicContact CD1-CG 4.44Å; L46-L49 PolarHBondContact O-N 3.49Å; L46-L49 VanDerWaalsContact O-N 3.13Å; E47-L49 PolarHBondContact O-N 3.16Å; E47-L49 VanDerWaalsContact O-N 3.16Å
50V80Confident66.6Low44 Ų44108 Ų10827%0.26758%0.575SS.*THydrogen-bonded Turntrans-105.4-34.5-172.7-174.60000111.2L31 L32 M35 E47L31-V50 HydrophobicContact CB-CG2 4.15Å; L32-V50 HydrophobicContact CD2-CG1 4.25Å; M35-V50 HydrophobicContact SD-CG1 3.98Å; M35-V50 HydrophobicContact SD-CG2 4.32Å; E47-V50 PolarHBondContact O-N 3.2Å; E47-V50 VanDerWaalsContact O-N 3.11Å
51K75.6Confident64.3Low131 Ų131107 Ų10757%0.5758%0.579SS**SBendtrans-70.7130.9176.7-76.1175.3176.6165.90110.7E47 R53E47-K51 HydrophobicContact CB-CD 4.46Å; E47-K51 PolarHBondContact O-N 3.45Å; E47-K51 IonicContact OE2-NZ 2.8Å; E47-K51 PolarHBondContact OE2-NZ 2.69Å; K51-R53 PolarHBondContact O-N 2.86Å
52P57.5Low62.3Low126 Ų126111.3 Ų111.382%0.81861%0.609SS**PPolyproline II helixtrans-65.5122177.726.2-31.2000109.2S54P52-S54 PolarHBondContact O-N 3.18Å; P52-S54 VanDerWaalsContact O-N 3.16Å
53R49.8Very low60.4Low230 Ų230114.9 Ų114.987%0.86862%0.623SS**PPolyproline II helixtrans-62.1116.5171.5-96.9-179.4163.1179.4-6.8109K51 R55K51-R53 PolarHBondContact O-N 2.86Å; R53-R55 PolarHBondContact O-N 3.05Å
54S48.4Very low58.3Low119 Ų119121.5 Ų121.583%0.83265%0.653SS**PPolyproline II helixtrans-51.5130.3162.540.20000109.9P52P52-S54 PolarHBondContact O-N 3.18Å; P52-S54 VanDerWaalsContact O-N 3.16Å
55R40.9Very low56.4Low249 Ų249122.5 Ų122.594%0.9466%0.663SS**PPolyproline II helixtrans-58.3141.2-168.7-69.9165.4163.4170.3-6.2114.2R53R53-R55 PolarHBondContact O-N 3.05Å
56S44Very low54.2Low111 Ų111123.3 Ų123.378%0.77667%0.671SS**  trans-136.9105148.459.80000109.3
57S39.3Very low52Low111 Ų111126.5 Ų126.578%0.77671%0.705SS**  trans21.5117.6148.156.50000120.2
58S44Very low50Low108 Ų108128.1 Ų128.176%0.75572%0.723SS**  -178.7107121.558.30000112.3
59T41.9Very low47.8Very low126 Ų126133.5 Ų133.577%0.77374%0.742SS**  61.4114.5129.2-90000121.5
60R42.2Very low46.2Very low240 Ų240138.2 Ų138.291%0.90677%0.773SS**  106.5108.5122.5-120.8172.2-175.1171.3-0.4119.7
61G38Very low44.1Very low69 Ų69141.7 Ų141.771%0.71180%0.8SS**  trans85.8136.5135.900000116.6
62S43.4Very low42.5Very low106 Ų106139.7 Ų139.774%0.74181%0.808SS**  cis-175.7154-4.3-91.40000105.9
63Q46.6Very low41.4Very low179 Ų179142.4 Ų142.484%0.83681%0.81SS**  trans73.8104.4162.5-67.6167.1-44.400117
64E40.4Very low41Very low172 Ų172136.8 Ų136.880%0.80481%0.805SS**  60.7101.666.7-68.7-169.915900114.2
65N41.6Very low40.5Very low159 Ų159137.4 Ų137.485%0.8580%0.804SS**  -176.8133.999.2-101.8-28.9000112
66G34.1Very low40.3Very low78 Ų78136.6 Ų136.680%0.80480%0.802SS**  trans-86.8162.4172.200000112.3
67G37.8Very low40.1Very low72 Ų72138.2 Ų138.274%0.74280%0.802SS**  trans176.9146166.900000111.4
68P41.5Very low39.8Very low124 Ų124143.4 Ų143.481%0.80581%0.81SS**  trans-98.8154.4-148.217.61.4000113.7
69Y38.1Very low39.9Very low230 Ų230146.1 Ų146.190%0.90281%0.811SS**  trans-58.7148.2175.4-54.9-85.2000112.8
70P44.5Very low39.9Very low118 Ų118145.2 Ų145.277%0.76681%0.807SS**  trans-127.3145137.329.7-14.3000112.8
71S36.6Very low39.7Very low118 Ų118141.7 Ų141.783%0.82581%0.806SS**  trans-57.4144167.446.50000113.9
72A41.3Very low40.4Very low89 Ų89145 Ų14574%0.73680%0.801SS**  162.3139.5124.900000111.4
73E34.6Very low41.1Very low182 Ų182149.2 Ų149.285%0.8581%0.809SS**  trans29.8113.5152-106.168.7-159.400120.1
74S41Very low42Very low112 Ų112143 Ų14378%0.78378%0.779SS**  -171.5117.2111.3-159.60000111.9R76S74-R76 PolarHBondContact O-N 2.94Å
75T38.9Very low43.6Very low132 Ų132138.5 Ų138.581%0.8176%0.764SS**  trans-37.5119.8159.622.50000114.5
76R37.6Very low45.4Very low233 Ų233139.3 Ų139.388%0.87976%0.76SS**  -178.9130.9128.6-110.2170174.8171.4-1.4113.6S74S74-R76 PolarHBondContact O-N 2.94Å
77N37.9Very low47.6Very low145 Ų145140 Ų14078%0.77575%0.748SS**  trans65.292.4159.6-73.6-6000119.1Q79N77-Q79 PolarHBondContact O-N 3.06Å
78K34.8Very low49.6Very low219 Ų219138.9 Ų138.995%0.95272%0.724SS**  trans-57.1108.7148.9-82.3173.9171.9175.30109.5
79Q45.4Very low51.5Low166 Ų166135.5 Ų135.578%0.77670%0.698SS**  trans-103.2141.4155.4-80.8-171-20.900108.5N77 D81N77-Q79 PolarHBondContact O-N 3.06Å; Q79-D81 PolarHBondContact O-N 3.21Å
80P42.1Very low53.7Low107 Ų107128.7 Ų128.770%0.69568%0.678SS**  trans-68128.1-177.629-32.5000109.1K82P80-K82 PolarHBondContact O-N 3.33Å
81D38.7Very low55.6Low165 Ų165125.7 Ų125.788%0.88266%0.659SS**  trans-55105.1178.6-64-48.2000110.3Q79 E83Q79-D81 PolarHBondContact O-N 3.21Å; D81-E83 PolarHBondContact O-N 3Å
82K52.2Low57.9Low140 Ų140120.3 Ų120.361%0.60962%0.621SS**  trans-86.6110177.9-75.4169.3171.4-167.70109.1P80 F84P80-K82 PolarHBondContact O-N 3.33Å; K82-F84 VanDerWaalsContact C-N 3.31Å; K82-F84 HydrophobicContact CB-CD2 3.73Å; K82-F84 HydrophobicContact CB-CE1 4.14Å; K82-F84 HydrophobicContact CB-CE2 3.21Å; K82-F84 HydrophobicContact CB-CG 4.43Å; K82-F84 HydrophobicContact CB-CZ 3.42Å; K82-F84 VanDerWaalsContact CB-CZ 3.42Å; K82-F84 HydrophobicContact CD-CE2 3.45Å; K82-F84 VanDerWaalsContact CD-CE2 3.45Å; K82-F84 HydrophobicContact CD-CZ 3.53Å; K82-F84 HydrophobicContact CG-CE2 3.79Å; K82-F84 HydrophobicContact CG-CZ 3.7Å; K82-F84 PolarHBondContact O-N 2.99Å
83E57.3Low60Low193 Ų193123.5 Ų123.590%0.90261%0.614SS**  trans-62.484.7168.3-71.9176.1140.200110.6D81D81-E83 PolarHBondContact O-N 3Å
84F65.2Low62.4Low48 Ų48122.6 Ų122.621%0.21161%0.607CS.*  trans-113.3128167.4-54.7-47.2000110.2K82 I89 R133 A134K82-F84 VanDerWaalsContact C-N 3.31Å; K82-F84 HydrophobicContact CB-CD2 3.73Å; K82-F84 HydrophobicContact CB-CE1 4.14Å; K82-F84 HydrophobicContact CB-CE2 3.21Å; K82-F84 HydrophobicContact CB-CG 4.43Å; K82-F84 HydrophobicContact CB-CZ 3.42Å; K82-F84 VanDerWaalsContact CB-CZ 3.42Å; K82-F84 HydrophobicContact CD-CE2 3.45Å; K82-F84 VanDerWaalsContact CD-CE2 3.45Å; K82-F84 HydrophobicContact CD-CZ 3.53Å; K82-F84 HydrophobicContact CG-CE2 3.79Å; K82-F84 HydrophobicContact CG-CZ 3.7Å; K82-F84 PolarHBondContact O-N 2.99Å; F84-I89 HydrophobicContact CB-CD1 4.01Å; F84-I89 HydrophobicContact CB-CG1 4.21Å; F84-R133 HydrophobicContact CE1-CB 3.85Å; F84-R133 VanDerWaalsContact CE1-O 3.29Å; F84-R133 WeakPolarHBondContact CE1-O 3.5Å; F84-R133 HydrophobicContact CZ-CB 4.33Å; F84-R133 WeakPolarHBondContact CZ-O 3.39Å; F84-A134 HydrophobicContact CD1-CB 3.72Å; F84-A134 HydrophobicContact CD2-CB 4.41Å; F84-A134 HydrophobicContact CE1-CB 3.93Å; F84-A134 HydrophobicContact CE2-CB 4.49Å; F84-A134 HydrophobicContact CG-CB 4.02Å; F84-A134 HydrophobicContact CZ-CB 4.29Å
85T75.5Confident64.6Low78 Ų78117.8 Ų117.848%0.47957%0.573SS.*  trans-72.4133.2171.4-22.70000108.1T87 Q88 I89T85-T87 WeakPolarHBondContact CB-OG1 3.36Å; T85-T87 WeakPolarHBondContact CG2-OG1 3.45Å; T85-T87 PolarHBondContact O-N 3.11Å; T85-Q88 WeakPolarHBondContact O-CA 3.44Å; T85-Q88 WeakPolarHBondContact O-CB 3.41Å; T85-Q88 PolarHBondContact O-N 3.42Å; T85-Q88 PolarHBondContact OG1-OE1 3.45Å; T85-I89 PolarHBondContact O-N 3.3Å
86K77.9Confident66.8Low177 Ų177114 Ų11477%0.7755%0.548SS*.Hα-helixtrans-49-36.5175.9-74.1179.3176.41780112.4Q88 I89 D90K86-Q88 VanDerWaalsContact C-N 3.32Å; K86-Q88 PolarHBondContact O-N 3.31Å; K86-I89 PolarHBondContact O-N 3.4Å; K86-D90 PolarHBondContact O-N 2.94Å
87T80.2Confident69.1Low91 Ų91106.7 Ų106.756%0.55854%0.537SS*.Hα-helixtrans-60.8-33.8175.555.40000113.9T85 S91T85-T87 WeakPolarHBondContact CB-OG1 3.36Å; T85-T87 WeakPolarHBondContact CG2-OG1 3.45Å; T85-T87 PolarHBondContact O-N 3.11Å; T87-S91 WeakPolarHBondContact O-CB 3.45Å; T87-S91 PolarHBondContact O-N 2.85Å; T87-S91 VanDerWaalsContact O-N 3.11Å; T87-S91 PolarHBondContact O-OG 2.92Å
88Q80.7Confident71.2Confident50 Ų50101.2 Ų101.223%0.23451%0.51CS..Hα-helixtrans-70.5-42.9177-67.3171.1-3300111T85 K86 S91 L92 N132T85-Q88 WeakPolarHBondContact O-CA 3.44Å; T85-Q88 WeakPolarHBondContact O-CB 3.41Å; T85-Q88 PolarHBondContact O-N 3.42Å; T85-Q88 PolarHBondContact OG1-OE1 3.45Å; K86-Q88 VanDerWaalsContact C-N 3.32Å; K86-Q88 PolarHBondContact O-N 3.31Å; Q88-S91 PolarHBondContact O-N 2.98Å; Q88-L92 WeakPolarHBondContact O-CG 3.34Å; Q88-L92 PolarHBondContact O-N 3.26Å; Q88-N132 VanDerWaalsContact CD-OD1 3.27Å; Q88-N132 PolarHBondContact NE2-OD1 2.54Å; Q88-N132 PolarHBondContact OE1-OD1 3.18Å
89I81.7Confident73.5Confident53 Ų5396.4 Ų96.427%0.27249%0.489SS..Hα-helixtrans-65.3-42.5179-60.7174.9000110.6F84 T85 K86 S91 L92 R93F84-I89 HydrophobicContact CB-CD1 4.01Å; F84-I89 HydrophobicContact CB-CG1 4.21Å; T85-I89 PolarHBondContact O-N 3.3Å; K86-I89 PolarHBondContact O-N 3.4Å; I89-S91 VanDerWaalsContact C-N 3.34Å; I89-S91 PolarHBondContact O-N 2.85Å; I89-L92 WeakPolarHBondContact O-CB 3.43Å; I89-L92 PolarHBondContact O-N 3.04Å; I89-R93 WeakPolarHBondContact O-CG 3.2Å; I89-R93 PolarHBondContact O-N 2.82Å
90D84.7Confident75.5Confident87 Ų8791.7 Ų91.747%0.46547%0.469SS..Hα-helixtrans-67.3-36.5177.8-72.6-21.2000112.5K86 L92 R93 K94K86-D90 PolarHBondContact O-N 2.94Å; D90-L92 VanDerWaalsContact C-N 3.35Å; D90-R93 PolarHBondContact O-N 3.28Å; D90-R93 IonicContact OD1-NH1 3.77Å; D90-R93 PolarHBondContact OD1-NH1 3.48Å; D90-K94 PolarHBondContact O-N 2.84Å
91S83.5Confident77.9Confident55 Ų5587.2 Ų87.239%0.38544%0.439SS..Hα-helixtrans-64.4-40.2174.1-56.70000111.6T87 Q88 I89 K94 V95T87-S91 WeakPolarHBondContact O-CB 3.45Å; T87-S91 PolarHBondContact O-N 2.85Å; T87-S91 VanDerWaalsContact O-N 3.11Å; T87-S91 PolarHBondContact O-OG 2.92Å; Q88-S91 PolarHBondContact O-N 2.98Å; I89-S91 VanDerWaalsContact C-N 3.34Å; I89-S91 PolarHBondContact O-N 2.85Å; S91-K94 PolarHBondContact O-N 3.44Å; S91-V95 WeakPolarHBondContact O-CG2 3.3Å; S91-V95 PolarHBondContact O-N 3.47Å
92L85.1Confident80.4Confident4 Ų479.9 Ų79.92%0.02140%0.399CS..Hα-helixtrans-63-46.8174.8-76.5169.9000111.7Q88 I89 D90 K94 V95 L96 F127 A134 A137 A140Q88-L92 WeakPolarHBondContact O-CG 3.34Å; Q88-L92 PolarHBondContact O-N 3.26Å; I89-L92 WeakPolarHBondContact O-CB 3.43Å; I89-L92 PolarHBondContact O-N 3.04Å; D90-L92 VanDerWaalsContact C-N 3.35Å; L92-K94 VanDerWaalsContact C-N 3.31Å; L92-K94 PolarHBondContact O-N 3.06Å; L92-V95 PolarHBondContact O-N 3.43Å; L92-L96 WeakPolarHBondContact O-CB 3.35Å; L92-L96 VanDerWaalsContact O-CG 3.26Å; L92-L96 WeakPolarHBondContact O-CG 3.45Å; L92-L96 PolarHBondContact O-N 3.11Å; L92-F127 HydrophobicContact CD2-CD1 3.42Å; L92-F127 VanDerWaalsContact CD2-CD1 3.42Å; L92-F127 HydrophobicContact CD2-CE1 3.47Å; L92-F127 VanDerWaalsContact CD2-CE1 3.47Å; L92-F127 HydrophobicContact CG-CD1 4.14Å; L92-F127 HydrophobicContact CG-CE1 3.8Å; L92-A134 HydrophobicContact CD1-CB 3.43Å; L92-A134 VanDerWaalsContact CD1-CB 3.43Å; L92-A137 HydrophobicContact CD1-CB 4.28Å; L92-A137 HydrophobicContact CD2-CB 4.15Å; L92-A140 HydrophobicContact CD2-CB 3.38Å
93R84.6Confident82.2Confident157 Ų15778.2 Ų78.259%0.59239%0.393SS*.Hα-helixtrans-59.8-41.4178-76.4-176.4-171141.6-6.2112.3I89 D90 L96 A97I89-R93 WeakPolarHBondContact O-CG 3.2Å; I89-R93 PolarHBondContact O-N 2.82Å; D90-R93 PolarHBondContact O-N 3.28Å; D90-R93 IonicContact OD1-NH1 3.77Å; D90-R93 PolarHBondContact OD1-NH1 3.48Å; R93-L96 PolarHBondContact O-N 3.16Å; R93-A97 VanDerWaalsContact O-CB 3.26Å; R93-A97 WeakPolarHBondContact O-CB 3.39Å; R93-A97 PolarHBondContact O-N 2.95Å
94K86.4Confident83.8Confident162 Ų16269.3 Ų69.370%0.70435%0.351SS*.Hα-helixtrans-59.4-50.9175.7-86-173.6173.3-175.40111.8D90 S91 L92 L96 A97 C98D90-K94 PolarHBondContact O-N 2.84Å; S91-K94 PolarHBondContact O-N 3.44Å; L92-K94 VanDerWaalsContact C-N 3.31Å; L92-K94 PolarHBondContact O-N 3.06Å; K94-L96 VanDerWaalsContact C-N 3.3Å; K94-L96 PolarHBondContact O-N 3.43Å; K94-A97 PolarHBondContact O-N 3.38Å; K94-C98 PolarHBondContact O-N 2.89Å; K94-C98 PolarHBondContact O-SG 3.09Å; K94-C98 VanDerWaalsContact O-SG 3.35Å
95V86.2Confident85.1Confident11 Ų1167.1 Ų67.17%0.06734%0.342CS..Hα-helixtrans-63.3-38.4180173.10000111.7S91 L92 I104 F127 A140 I144S91-V95 WeakPolarHBondContact O-CG2 3.3Å; S91-V95 PolarHBondContact O-N 3.47Å; L92-V95 PolarHBondContact O-N 3.43Å; V95-I104 HydrophobicContact CG1-CG2 4.22Å; V95-F127 HydrophobicContact CG2-CE2 3.88Å; V95-F127 HydrophobicContact CG2-CZ 3.73Å; V95-A140 HydrophobicContact CB-CB 4.37Å; V95-A140 HydrophobicContact CG1-CB 3.98Å; V95-I144 HydrophobicContact CG1-CD1 4.09Å; V95-I144 HydrophobicContact CG1-CG1 3.98Å
96L85Confident85.7Confident53 Ų5366.4 Ų66.428%0.27735%0.35SS..Hα-helixtrans-69.5-32.3177.2-70.5169.9000112.6L92 R93 K94 E139 A140 K143L92-L96 WeakPolarHBondContact O-CB 3.35Å; L92-L96 VanDerWaalsContact O-CG 3.26Å; L92-L96 WeakPolarHBondContact O-CG 3.45Å; L92-L96 PolarHBondContact O-N 3.11Å; R93-L96 PolarHBondContact O-N 3.16Å; K94-L96 VanDerWaalsContact C-N 3.3Å; K94-L96 PolarHBondContact O-N 3.43Å; L96-E139 HydrophobicContact CD2-CB 3.82Å; L96-A140 HydrophobicContact CD2-CB 4.35Å; L96-A140 HydrophobicContact CG-CB 4.35Å; L96-K143 PolarHBondContact O-NZ 2.91Å
97A85.7Confident86.4Confident80 Ų8059.3 Ų59.366%0.66132%0.322SS*.Hα-helixtrans-77.4-28.717800000113.4R93 K94R93-A97 VanDerWaalsContact O-CB 3.26Å; R93-A97 WeakPolarHBondContact O-CB 3.39Å; R93-A97 PolarHBondContact O-N 2.95Å; K94-A97 PolarHBondContact O-N 3.38Å
98C83.5Confident86.9Confident29 Ų2958.2 Ų58.220%0.19632%0.318CS..  trans-69.4135.1177.6-71.20000111.6K94 E103 I104 K143K94-C98 PolarHBondContact O-N 2.89Å; K94-C98 PolarHBondContact O-SG 3.09Å; K94-C98 VanDerWaalsContact O-SG 3.35Å; C98-E103 HydrophobicContact CB-CB 4.24Å; C98-I104 HydrophobicContact CB-CG1 3.78Å; C98-K143 PolarHBondContact O-NZ 3.01Å
99K81.3Confident87.1Confident119 Ų11962.4 Ų62.452%0.51734%0.337SS..  trans-99.8-28171.9-69.5-175.5169.1-167.60112.2E168K99-E168 VanDerWaalsContact NZ-CD 3.33Å; K99-E168 IonicContact NZ-OE1 2.93Å; K99-E168 PolarHBondContact NZ-OE1 3.01Å; K99-E168 IonicContact NZ-OE2 2.9Å; K99-E168 PolarHBondContact NZ-OE2 3.19Å
100N89Confident87.4Confident66 Ų6665.8 Ų65.835%0.35336%0.361SS..  trans-79.8131.3-179.2-80.7-35000112.3Y102 E103 I104 Y160N100-Y102 VanDerWaalsContact C-N 3.33Å; N100-Y102 PolarHBondContact O-N 3.28Å; N100-E103 HydrophobicContact CB-CB 4Å; N100-E103 HydrophobicContact CB-CG 3.83Å; N100-E103 PolarHBondContact ND2-OE1 2.91Å; N100-E103 PolarHBondContact O-N 2.97Å; N100-I104 VanDerWaalsContact O-CG1 3.28Å; N100-I104 WeakPolarHBondContact O-CG1 3.28Å; N100-I104 PolarHBondContact O-N 3.39Å; N100-Y160 VanDerWaalsContact CA-OH 3.3Å; N100-Y160 WeakPolarHBondContact CA-OH 3.43Å; N100-Y160 PolarHBondContact OD1-OH 2.97Å
101Y91.6Very high87.6Confident14 Ų1461.9 Ų61.96%0.05534%0.34CS..Hα-helixtrans-63.9-36.2178.2-65.9-37.2000113.2I104 L105 K146 A147 V150 Y160Y101-I104 HydrophobicContact CD1-CD1 4.02Å; Y101-I104 PolarHBondContact O-N 3.31Å; Y101-L105 PolarHBondContact O-N 2.83Å; Y101-K146 HydrophobicContact CE1-CD 4.49Å; Y101-K146 HydrophobicContact CE1-CG 4.31Å; Y101-K146 VanDerWaalsContact OH-CE 3.27Å; Y101-K146 WeakPolarHBondContact OH-CE 3.23Å; Y101-A147 HydrophobicContact CD1-CB 3.58Å; Y101-A147 HydrophobicContact CE1-CB 4.49Å; Y101-A147 HydrophobicContact CG-CB 3.93Å; Y101-V150 HydrophobicContact CD2-CB 3.92Å; Y101-V150 HydrophobicContact CD2-CG1 3.77Å; Y101-V150 HydrophobicContact CD2-CG2 4.33Å; Y101-V150 HydrophobicContact CE2-CB 3.86Å; Y101-V150 HydrophobicContact CE2-CG1 3.75Å; Y101-V150 HydrophobicContact CE2-CG2 3.76Å; Y101-Y160 HydrophobicContact CD2-CD1 4.33Å; Y101-Y160 AromaticContact CD2-CD2 3.28Å; Y101-Y160 HydrophobicContact CD2-CD2 3.28Å; Y101-Y160 HydrophobicContact CD2-CE1 4.21Å; Y101-Y160 AromaticContact CD2-CE2 3.07Å; Y101-Y160 HydrophobicContact CD2-CE2 3.07Å; Y101-Y160 AromaticContact CD2-CG 3.9Å; Y101-Y160 HydrophobicContact CD2-CG 3.9Å; Y101-Y160 AromaticContact CD2-CZ 3.6Å; Y101-Y160 AromaticContact CE2-CD2 3.37Å; Y101-Y160 HydrophobicContact CE2-CD2 3.37Å; Y101-Y160 AromaticContact CE2-CE2 3.37Å; Y101-Y160 HydrophobicContact CE2-CE2 3.37Å; Y101-Y160 HydrophobicContact CE2-CG 4.28Å; Y101-Y160 HydrophobicContact CG-CD2 4.42Å; Y101-Y160 AromaticContact CG-CE2 3.84Å; Y101-Y160 HydrophobicContact CG-CE2 3.84Å; Y101-Y160 PolarHBondContact N-OH 2.87Å
102Y92.1Very high88Confident11 Ų1161.9 Ų61.94%0.04334%0.34CS..Hα-helixtrans-63-41.4174.6-63.9-73.7000111.9N100 L105 G106 V107 S108 Q109 L151 R157 Y160 D161N100-Y102 VanDerWaalsContact C-N 3.33Å; N100-Y102 PolarHBondContact O-N 3.28Å; Y102-L105 PolarHBondContact O-N 3.38Å; Y102-G106 PolarHBondContact O-N 2.9Å; Y102-V107 HydrophobicContact CD1-CG2 4.15Å; Y102-V107 PolarHBondContact O-N 2.82Å; Y102-S108 WeakPolarHBondContact CD1-O 3.43Å; Y102-Q109 HydrophobicContact CD2-CB 4.42Å; Y102-Q109 HydrophobicContact CD2-CG 3.8Å; Y102-Q109 HydrophobicContact CE2-CB 4.39Å; Y102-Q109 HydrophobicContact CE2-CG 4.15Å; Y102-Q109 HydrophobicContact CG-CG 4.04Å; Y102-L151 HydrophobicContact CD1-CD1 4.03Å; Y102-L151 HydrophobicContact CD1-CD2 4.01Å; Y102-L151 HydrophobicContact CD2-CD2 4.41Å; Y102-L151 HydrophobicContact CE1-CD1 4.24Å; Y102-L151 HydrophobicContact CE1-CD2 3.44Å; Y102-L151 VanDerWaalsContact CE1-CD2 3.44Å; Y102-L151 HydrophobicContact CE1-CG 4.45Å; Y102-L151 HydrophobicContact CE2-CD2 3.91Å; Y102-L151 HydrophobicContact CG-CD1 4.44Å; Y102-L151 HydrophobicContact CG-CD2 4.46Å; Y102-R157 PolarHBondContact OH-NE 2.84Å; Y102-R157 VanDerWaalsContact OH-NE 3.09Å; Y102-Y160 AromaticContact CD2-CE1 3.83Å; Y102-Y160 HydrophobicContact CD2-CE1 3.83Å; Y102-Y160 AromaticContact CE2-CD1 3.97Å; Y102-Y160 HydrophobicContact CE2-CD1 3.97Å; Y102-Y160 AromaticContact CE2-CE1 3.6Å; Y102-Y160 HydrophobicContact CE2-CE1 3.6Å; Y102-D161 WeakPolarHBondContact CE2-OD1 3.37Å; Y102-D161 PolarHBondContact OH-OD1 3.34Å; Y102-D161 PolarHBondContact OH-OD2 2.04Å
103E90.1Very high88.3Confident105 Ų10565.3 Ų65.349%0.49136%0.359SS..Hα-helixtrans-70.9-37.4177.1-68.5173.5-154.700112.6C98 N100 L105 G106C98-E103 HydrophobicContact CB-CB 4.24Å; N100-E103 HydrophobicContact CB-CB 4Å; N100-E103 HydrophobicContact CB-CG 3.83Å; N100-E103 PolarHBondContact ND2-OE1 2.91Å; N100-E103 PolarHBondContact O-N 2.97Å; E103-L105 PolarHBondContact O-N 3.39Å; E103-G106 PolarHBondContact O-N 3.47Å
104I90.8Very high88.6Confident5 Ų564 Ų643%0.02636%0.359CS..Hα-helixtrans-58.5-38.9176.3-74.4163.7000111V95 C98 N100 Y101 K143 I144 A147V95-I104 HydrophobicContact CG1-CG2 4.22Å; C98-I104 HydrophobicContact CB-CG1 3.78Å; N100-I104 VanDerWaalsContact O-CG1 3.28Å; N100-I104 WeakPolarHBondContact O-CG1 3.28Å; N100-I104 PolarHBondContact O-N 3.39Å; Y101-I104 HydrophobicContact CD1-CD1 4.02Å; Y101-I104 PolarHBondContact O-N 3.31Å; I104-K143 HydrophobicContact CD1-CB 4.49Å; I104-I144 HydrophobicContact CG2-CB 4.43Å; I104-I144 HydrophobicContact CG2-CG1 3.81Å; I104-A147 HydrophobicContact CB-CB 4.27Å; I104-A147 HydrophobicContact CG2-CB 3.88Å
105L90.6Very high88.9Confident2 Ų261 Ų611%0.0135%0.348CS..Hα-helixtrans-87.6-10.8176.2-75.9168.9000113.6Y101 Y102 E103 V107 I116 A119 F120 H123 I144 A147 L151Y101-L105 PolarHBondContact O-N 2.83Å; Y102-L105 PolarHBondContact O-N 3.38Å; E103-L105 PolarHBondContact O-N 3.39Å; L105-V107 HydrophobicContact CB-CG1 4.44Å; L105-V107 HydrophobicContact CB-CG2 3.88Å; L105-I116 HydrophobicContact CD1-CG2 4.11Å; L105-A119 HydrophobicContact CB-CB 4.38Å; L105-A119 HydrophobicContact CD2-CB 4.45Å; L105-F120 HydrophobicContact CD2-CB 4.09Å; L105-H123 PolarHBondContact O-CD2 3.37Å; L105-H123 PolarHBondContact O-NE2 3.24Å; L105-I144 HydrophobicContact CD2-CG2 4.21Å; L105-A147 HydrophobicContact CD1-CB 4.2Å; L105-A147 HydrophobicContact CG-CB 4.19Å; L105-L151 HydrophobicContact CD1-CD1 3.66Å
106G89.5Confident89.3Confident64 Ų6460.5 Ų60.566%0.6635%0.345SS*.THydrogen-bonded Turntrans66.734.4-176.600000113.7Y102 E103Y102-G106 PolarHBondContact O-N 2.9Å; E103-G106 PolarHBondContact O-N 3.47Å
107V91.9Very high89.6Confident28 Ų2863 Ų6317%0.1735%0.353CS..  trans-115.7156.7-179.6-66.70000111.4Y102 L105 A111 I116 A119Y102-V107 HydrophobicContact CD1-CG2 4.15Å; Y102-V107 PolarHBondContact O-N 2.82Å; L105-V107 HydrophobicContact CB-CG1 4.44Å; L105-V107 HydrophobicContact CB-CG2 3.88Å; V107-A111 HydrophobicContact CB-CB 3.89Å; V107-A111 HydrophobicContact CG2-CB 4.32Å; V107-I116 HydrophobicContact CG2-CG1 4.47Å; V107-A119 HydrophobicContact CG1-CB 3.52Å
108S90.1Very high90Very high68 Ų6865.8 Ų65.848%0.47635%0.35SS..  trans-66.6153.9171.7-179.10000111Y102 T110 A111Y102-S108 WeakPolarHBondContact CD1-O 3.43Å; S108-T110 PolarHBondContact O-N 3.33Å; S108-T110 PolarHBondContact OG-N 2.98Å; S108-T110 PolarHBondContact OG-OG1 3.1Å; S108-A111 WeakPolarHBondContact O-CB 3.2Å; S108-A111 PolarHBondContact O-N 3.32Å
109Q86.8Confident90.4Very high138 Ų13865 Ų6565%0.64535%0.347SS*.THydrogen-bonded Turntrans-60.8-27.6169.3-63.4179.116.400111.9Y102 A111 R157Y102-Q109 HydrophobicContact CD2-CB 4.42Å; Y102-Q109 HydrophobicContact CD2-CG 3.8Å; Y102-Q109 HydrophobicContact CE2-CB 4.39Å; Y102-Q109 HydrophobicContact CE2-CG 4.15Å; Y102-Q109 HydrophobicContact CG-CG 4.04Å; Q109-A111 VanDerWaalsContact C-N 3.28Å; Q109-A111 PolarHBondContact O-N 3.38Å; Q109-R157 PolarHBondContact O-NH2 3.09Å
110T88Confident91.1Very high124 Ų12461.4 Ų61.476%0.76133%0.331SS*.THydrogen-bonded Turntrans-857.4175.560.20000113.9S108S108-T110 PolarHBondContact O-N 3.33Å; S108-T110 PolarHBondContact OG-N 2.98Å; S108-T110 PolarHBondContact OG-OG1 3.1Å
111A88.8Confident91.2Very high4 Ų465.5 Ų65.53%0.03335%0.346CS..  trans-64.8142.9-175.500000112.4V107 S108 Q109 E115 I116 R157V107-A111 HydrophobicContact CB-CB 3.89Å; V107-A111 HydrophobicContact CG2-CB 4.32Å; S108-A111 WeakPolarHBondContact O-CB 3.2Å; S108-A111 PolarHBondContact O-N 3.32Å; Q109-A111 VanDerWaalsContact C-N 3.28Å; Q109-A111 PolarHBondContact O-N 3.38Å; A111-E115 VanDerWaalsContact CA-OE2 3.26Å; A111-E115 WeakPolarHBondContact CA-OE2 3.32Å; A111-E115 HydrophobicContact CB-CB 4.22Å; A111-I116 HydrophobicContact CB-CG1 4.3Å; A111-R157 PolarHBondContact O-NH1 3.3Å; A111-R157 VanDerWaalsContact O-NH1 3.14Å; A111-R157 PolarHBondContact O-NH2 3.4Å
112S91.4Very high91.2Very high55 Ų5569.3 Ų69.339%0.38537%0.366SS..  trans-75.2158.817464.90000111.6E114 E115 I116S112-E114 PolarHBondContact O-N 2.81Å; S112-E114 VanDerWaalsContact O-N 3.16Å; S112-E115 PolarHBondContact N-OE2 3.38Å; S112-E115 WeakPolarHBondContact O-CB 3.44Å; S112-E115 PolarHBondContact O-N 3.24Å; S112-E115 WeakPolarHBondContact OG-CG 3.37Å; S112-E115 PolarHBondContact OG-N 3.11Å; S112-E115 PolarHBondContact OG-OE2 3.35Å; S112-I116 PolarHBondContact O-N 3.01Å
113D91.2Very high91.1Very high77 Ų7770.3 Ų70.341%0.41237%0.371SS..Hα-helixtrans-58.2-30.7177.8-62.7-6.9000112.3K117 R157D113-K117 WeakPolarHBondContact O-CB 3.36Å; D113-K117 VanDerWaalsContact O-CG 3.26Å; D113-K117 WeakPolarHBondContact O-CG 3.48Å; D113-K117 PolarHBondContact O-N 2.77Å; D113-R157 IonicContact OD1-NH1 3.22Å; D113-R157 PolarHBondContact OD1-NH1 3.06Å
114E91Very high91.1Very high130 Ų13066.1 Ų66.161%0.60736%0.355SS*.Hα-helixtrans-67.5-40.5174.8-64.7-167.3179.600112.7S112 K117 K118S112-E114 PolarHBondContact O-N 2.81Å; S112-E114 VanDerWaalsContact O-N 3.16Å; E114-K117 PolarHBondContact O-N 3.32Å; E114-K118 WeakPolarHBondContact O-CB 3.46Å; E114-K118 VanDerWaalsContact O-CG 3.29Å; E114-K118 WeakPolarHBondContact O-CG 3.48Å; E114-K118 PolarHBondContact O-N 3.3Å
115E92.9Very high91Very high98 Ų9870.6 Ų70.646%0.45838%0.378SS..Hα-helixtrans-67.4-41.5176.9-72.9171.1154.200111.1A111 S112 K117 K118 A119A111-E115 VanDerWaalsContact CA-OE2 3.26Å; A111-E115 WeakPolarHBondContact CA-OE2 3.32Å; A111-E115 HydrophobicContact CB-CB 4.22Å; S112-E115 PolarHBondContact N-OE2 3.38Å; S112-E115 WeakPolarHBondContact O-CB 3.44Å; S112-E115 PolarHBondContact O-N 3.24Å; S112-E115 WeakPolarHBondContact OG-CG 3.37Å; S112-E115 PolarHBondContact OG-N 3.11Å; S112-E115 PolarHBondContact OG-OE2 3.35Å; E115-K117 VanDerWaalsContact C-N 3.34Å; E115-K117 PolarHBondContact O-N 2.63Å; E115-K118 PolarHBondContact O-N 3Å; E115-A119 WeakPolarHBondContact O-CB 3.33Å; E115-A119 PolarHBondContact O-N 3.49Å
116I93.4Very high90.8Very high0 Ų075.8 Ų75.80%040%0.401CS..Hα-helixtrans-58.9-46.5174.4-68.1161.9000110.3L105 V107 A111 S112 A119 F120 Y148 L151L105-I116 HydrophobicContact CD1-CG2 4.11Å; V107-I116 HydrophobicContact CG2-CG1 4.47Å; A111-I116 HydrophobicContact CB-CG1 4.3Å; S112-I116 PolarHBondContact O-N 3.01Å; I116-A119 PolarHBondContact O-N 3.38Å; I116-F120 WeakPolarHBondContact O-CB 3.33Å; I116-F120 PolarHBondContact O-N 2.79Å; I116-Y148 HydrophobicContact CG2-CD2 4.03Å; I116-Y148 HydrophobicContact CG2-CE2 4.42Å; I116-L151 HydrophobicContact CD1-CB 4.14Å; I116-L151 HydrophobicContact CG2-CB 4.09Å
117K92.8Very high90.7Very high106 Ų10673 Ų7346%0.46137%0.37SS..Hα-helixtrans-61.9-43.1175.5-75.7170.7-176.5172.50112.5D113 E114 E115 K121 Y148D113-K117 WeakPolarHBondContact O-CB 3.36Å; D113-K117 VanDerWaalsContact O-CG 3.26Å; D113-K117 WeakPolarHBondContact O-CG 3.48Å; D113-K117 PolarHBondContact O-N 2.77Å; E114-K117 PolarHBondContact O-N 3.32Å; E115-K117 VanDerWaalsContact C-N 3.34Å; E115-K117 PolarHBondContact O-N 2.63Å; K117-K121 WeakPolarHBondContact O-CB 3.31Å; K117-K121 PolarHBondContact O-N 3.27Å; K117-Y148 HydrophobicContact CG-CE2 3.86Å
118K92.8Very high90.4Very high138 Ų13875.4 Ų75.460%0.638%0.38SS*.Hα-helixtrans-63.6-45.5177.4-76.4170-175.2164.40111.5E114 E115 K121 L122E114-K118 WeakPolarHBondContact O-CB 3.46Å; E114-K118 VanDerWaalsContact O-CG 3.29Å; E114-K118 WeakPolarHBondContact O-CG 3.48Å; E114-K118 PolarHBondContact O-N 3.3Å; E115-K118 PolarHBondContact O-N 3Å; K118-K121 PolarHBondContact O-N 3.46Å; K118-L122 PolarHBondContact O-N 2.93Å; K118-L122 VanDerWaalsContact O-N 3.08Å
119A93.3Very high90Very high14 Ų1475.3 Ų75.312%0.11638%0.377CS..Hα-helixtrans-62.3-45.8177.900000111.8L105 V107 E115 I116 K121 L122 H123L105-A119 HydrophobicContact CB-CB 4.38Å; L105-A119 HydrophobicContact CD2-CB 4.45Å; V107-A119 HydrophobicContact CG1-CB 3.52Å; E115-A119 WeakPolarHBondContact O-CB 3.33Å; E115-A119 PolarHBondContact O-N 3.49Å; I116-A119 PolarHBondContact O-N 3.38Å; A119-K121 VanDerWaalsContact C-N 3.35Å; A119-K121 PolarHBondContact O-N 3.25Å; A119-L122 PolarHBondContact O-N 3.46Å; A119-H123 WeakPolarHBondContact O-CB 3.29Å; A119-H123 PolarHBondContact O-CD2 3.23Å; A119-H123 VanDerWaalsContact O-CD2 3.32Å; A119-H123 PolarHBondContact O-N 3.47Å
120F94.4Very high89.8Confident43 Ų4374.2 Ų74.219%0.18938%0.376CS..Hα-helixtrans-57.8-46.7175173.5-106.1000111.7L105 I116 L122 H123 A124 I144 Y148L105-F120 HydrophobicContact CD2-CB 4.09Å; I116-F120 WeakPolarHBondContact O-CB 3.33Å; I116-F120 PolarHBondContact O-N 2.79Å; F120-L122 VanDerWaalsContact C-N 3.31Å; F120-L122 PolarHBondContact O-N 3.22Å; F120-H123 PolarHBondContact O-N 3.47Å; F120-A124 HydrophobicContact CZ-CB 4.36Å; F120-A124 WeakPolarHBondContact O-CB 3.37Å; F120-A124 PolarHBondContact O-N 3.41Å; F120-I144 HydrophobicContact CD2-CG2 3.84Å; F120-I144 HydrophobicContact CE2-CG2 4.14Å; F120-Y148 HydrophobicContact CB-CD2 3.44Å; F120-Y148 VanDerWaalsContact CB-CD2 3.44Å; F120-Y148 HydrophobicContact CB-CE2 3.99Å; F120-Y148 HydrophobicContact CB-CG 3.92Å; F120-Y148 HydrophobicContact CD1-CD1 4.07Å; F120-Y148 HydrophobicContact CD1-CD2 4.01Å; F120-Y148 HydrophobicContact CD1-CE1 4.15Å; F120-Y148 HydrophobicContact CD1-CE2 4.11Å; F120-Y148 AromaticContact CD1-CG 3.99Å; F120-Y148 HydrophobicContact CD1-CG 3.99Å; F120-Y148 VanDerWaalsContact CD2-CB 3.45Å; F120-Y148 HydrophobicContact CD2-CD1 4.1Å; F120-Y148 HydrophobicContact CD2-CD2 4.07Å; F120-Y148 AromaticContact CD2-CG 3.6Å; F120-Y148 HydrophobicContact CD2-CG 3.6Å; F120-Y148 HydrophobicContact CE1-CD1 4.12Å; F120-Y148 HydrophobicContact CE1-CE1 4.2Å; F120-Y148 HydrophobicContact CE1-CG 4.44Å; F120-Y148 HydrophobicContact CE2-CD1 4.15Å; F120-Y148 HydrophobicContact CE2-CG 4.08Å; F120-Y148 HydrophobicContact CG-CD1 4.06Å; F120-Y148 AromaticContact CG-CD2 3.57Å; F120-Y148 HydrophobicContact CG-CD2 3.57Å; F120-Y148 HydrophobicContact CG-CE2 4.1Å; F120-Y148 AromaticContact CG-CG 3.54Å; F120-Y148 HydrophobicContact CG-CG 3.54Å; F120-Y148 HydrophobicContact CZ-CD1 4.16Å; F120-Y148 HydrophobicContact CZ-CG 4.48Å
121K92.6Very high89.4Confident152 Ų15274.7 Ų74.766%0.66137%0.367SS*.Hα-helixtrans-61.3-40.3-180-157.9173.3-173.81760112K117 K118 A119 L125K117-K121 WeakPolarHBondContact O-CB 3.31Å; K117-K121 PolarHBondContact O-N 3.27Å; K118-K121 PolarHBondContact O-N 3.46Å; A119-K121 VanDerWaalsContact C-N 3.35Å; A119-K121 PolarHBondContact O-N 3.25Å; K121-L125 WeakPolarHBondContact O-CD1 3.49Å; K121-L125 WeakPolarHBondContact O-CG 3.27Å; K121-L125 PolarHBondContact O-N 2.89Å
122L91.5Very high88.7Confident94 Ų9474.9 Ų74.949%0.49237%0.368SS..Hα-helixtrans-66-45.2176.1-170.177000111.8K118 A119 F120 K126K118-L122 PolarHBondContact O-N 2.93Å; K118-L122 VanDerWaalsContact O-N 3.08Å; A119-L122 PolarHBondContact O-N 3.46Å; F120-L122 VanDerWaalsContact C-N 3.31Å; F120-L122 PolarHBondContact O-N 3.22Å; L122-K126 WeakPolarHBondContact O-CG 3.41Å; L122-K126 PolarHBondContact O-N 2.95Å
123H90Very high87.9Confident31 Ų3181.5 Ų81.514%0.14438%0.384CS..Hα-helixtrans-69.6-41179.8-84-61.4000112.7L105 A119 F120 L125 K126 F127 I144L105-H123 PolarHBondContact O-CD2 3.37Å; L105-H123 PolarHBondContact O-NE2 3.24Å; A119-H123 WeakPolarHBondContact O-CB 3.29Å; A119-H123 PolarHBondContact O-CD2 3.23Å; A119-H123 VanDerWaalsContact O-CD2 3.32Å; A119-H123 PolarHBondContact O-N 3.47Å; F120-H123 PolarHBondContact O-N 3.47Å; H123-L125 VanDerWaalsContact C-N 3.27Å; H123-L125 PolarHBondContact O-N 2.93Å; H123-K126 PolarHBondContact O-N 3.39Å; H123-F127 HydrophobicContact CB-CD2 4.28Å; H123-F127 AromaticContact ND1-CD2 3.76Å; H123-F127 AromaticContact ND1-CE2 3.37Å; H123-F127 WeakPolarHBondContact ND1-CE2 3.44Å; H123-F127 WeakPolarHBondContact O-CB 3.22Å; H123-F127 WeakPolarHBondContact O-CD2 3.29Å; H123-F127 PolarHBondContact O-N 3.4Å; H123-I144 HydrophobicContact CB-CD1 4.1Å; H123-I144 HydrophobicContact CB-CG2 3.91Å
124A90.1Very high87.3Confident18 Ų1878.1 Ų78.115%0.14937%0.367CS..Hα-helixtrans-58.5-41.1176.100000111.2F120 K126 H128 F141F120-A124 HydrophobicContact CZ-CB 4.36Å; F120-A124 WeakPolarHBondContact O-CB 3.37Å; F120-A124 PolarHBondContact O-N 3.41Å; A124-K126 PolarHBondContact O-N 2.9Å; A124-H128 VanDerWaalsContact O-CB 3.29Å; A124-H128 WeakPolarHBondContact O-CB 3.13Å; A124-H128 PolarHBondContact O-N 2.74Å; A124-F141 HydrophobicContact CB-CE2 3.99Å
125L88.6Confident86.7Confident98 Ų9876.4 Ų76.451%0.51337%0.367SS..Hα-helixtrans-66.3-34.5174.9-75.7166.3000113.4K121 H123 K131K121-L125 WeakPolarHBondContact O-CD1 3.49Å; K121-L125 WeakPolarHBondContact O-CG 3.27Å; K121-L125 PolarHBondContact O-N 2.89Å; H123-L125 VanDerWaalsContact C-N 3.27Å; H123-L125 PolarHBondContact O-N 2.93Å; L125-K131 WeakPolarHBondContact O-CD 3.32Å
126K86.1Confident86.3Confident111 Ų11172.9 Ų72.948%0.48336%0.357SS..Hα-helixtrans-78.2-35.6-179.7-74174.7179.4176.60113.1L122 H123 A124 N132L122-K126 WeakPolarHBondContact O-CG 3.41Å; L122-K126 PolarHBondContact O-N 2.95Å; H123-K126 PolarHBondContact O-N 3.39Å; A124-K126 PolarHBondContact O-N 2.9Å; K126-N132 PolarHBondContact O-ND2 2.85Å
127F86.5Confident85.8Confident6 Ų673 Ų733%0.02636%0.359CS..Hα-helixtrans-108.96.9-172.1-66.7-67.8000113.7L92 V95 H123 A140 F141 I144L92-F127 HydrophobicContact CD2-CD1 3.42Å; L92-F127 VanDerWaalsContact CD2-CD1 3.42Å; L92-F127 HydrophobicContact CD2-CE1 3.47Å; L92-F127 VanDerWaalsContact CD2-CE1 3.47Å; L92-F127 HydrophobicContact CG-CD1 4.14Å; L92-F127 HydrophobicContact CG-CE1 3.8Å; V95-F127 HydrophobicContact CG2-CE2 3.88Å; V95-F127 HydrophobicContact CG2-CZ 3.73Å; H123-F127 HydrophobicContact CB-CD2 4.28Å; H123-F127 AromaticContact ND1-CD2 3.76Å; H123-F127 AromaticContact ND1-CE2 3.37Å; H123-F127 WeakPolarHBondContact ND1-CE2 3.44Å; H123-F127 WeakPolarHBondContact O-CB 3.22Å; H123-F127 WeakPolarHBondContact O-CD2 3.29Å; H123-F127 PolarHBondContact O-N 3.4Å; F127-A140 HydrophobicContact CD1-CB 4.45Å; F127-F141 HydrophobicContact CB-CD2 4.36Å; F127-I144 HydrophobicContact CB-CD1 4.03Å; F127-I144 HydrophobicContact CD2-CD1 3.21Å; F127-I144 HydrophobicContact CE2-CD1 3.75Å; F127-I144 HydrophobicContact CG-CD1 3.8Å
128H85.4Confident85.5Confident79 Ų7971.3 Ų71.337%0.36636%0.364SS..  trans-57130.9176.1-160.9-95.3000110.5A124 D130 K131 N132A124-H128 VanDerWaalsContact O-CB 3.29Å; A124-H128 WeakPolarHBondContact O-CB 3.13Å; A124-H128 PolarHBondContact O-N 2.74Å; H128-D130 WeakPolarHBondContact ND1-CB 3.26Å; H128-D130 PolarHBondContact ND1-N 2.93Å; H128-D130 PolarHBondContact O-N 2.82Å; H128-D130 VanDerWaalsContact O-N 3.09Å; H128-K131 HydrophobicContact CB-CB 4.42Å; H128-K131 PolarHBondContact O-N 2.9Å; H128-N132 PolarHBondContact O-N 3.38Å
129P82.6Confident85.3Confident65 Ų6570.7 Ų70.742%0.42236%0.363SS..THydrogen-bonded Turntrans-61.1-24.1-177.223.4-33.8000113.1
130D83Confident85.1Confident115 Ų11570 Ų7062%0.61536%0.358SS*.THydrogen-bonded Turntrans-70.9-38.2173.9-16641.2000112.9H128H128-D130 WeakPolarHBondContact ND1-CB 3.26Å; H128-D130 PolarHBondContact ND1-N 2.93Å; H128-D130 PolarHBondContact O-N 2.82Å; H128-D130 VanDerWaalsContact O-N 3.09Å
131K79.8Confident84.9Confident134 Ų13470.3 Ų70.358%0.58336%0.359SS*.THydrogen-bonded Turntrans-90.1-26.3-176.5-68.5-173.7176.3-174.30113.2L125 H128L125-K131 WeakPolarHBondContact O-CD 3.32Å; H128-K131 HydrophobicContact CB-CB 4.42Å; H128-K131 PolarHBondContact O-N 2.9Å
132N73.4Confident84.8Confident8 Ų870.3 Ų70.34%0.04336%0.359CS..  trans-131.691.7-172.8-143.9-14.7000109.1Q88 K126 H128 A134 A137Q88-N132 VanDerWaalsContact CD-OD1 3.27Å; Q88-N132 PolarHBondContact NE2-OD1 2.54Å; Q88-N132 PolarHBondContact OE1-OD1 3.18Å; K126-N132 PolarHBondContact O-ND2 2.85Å; H128-N132 PolarHBondContact O-N 3.38Å; N132-A134 PolarHBondContact O-N 3.4Å; N132-A137 WeakPolarHBondContact O-CB 3.45Å
133R75.8Confident84.8Confident194 Ų19468.4 Ų68.473%0.73235%0.347SS*.  trans-80.310.9-176.4-70.3178.8170.7-173.7-4.6113.8F84F84-R133 HydrophobicContact CE1-CB 3.85Å; F84-R133 VanDerWaalsContact CE1-O 3.29Å; F84-R133 WeakPolarHBondContact CE1-O 3.5Å; F84-R133 HydrophobicContact CZ-CB 4.33Å; F84-R133 WeakPolarHBondContact CZ-O 3.39Å
134A77.7Confident84.9Confident6 Ų667 Ų675%0.0534%0.34CS..SBendtrans-64.6144.4-175.800000111.5F84 L92 N132 G136 A137F84-A134 HydrophobicContact CD1-CB 3.72Å; F84-A134 HydrophobicContact CD2-CB 4.41Å; F84-A134 HydrophobicContact CE1-CB 3.93Å; F84-A134 HydrophobicContact CE2-CB 4.49Å; F84-A134 HydrophobicContact CG-CB 4.02Å; F84-A134 HydrophobicContact CZ-CB 4.29Å; L92-A134 HydrophobicContact CD1-CB 3.43Å; L92-A134 VanDerWaalsContact CD1-CB 3.43Å; N132-A134 PolarHBondContact O-N 3.4Å; A134-G136 PolarHBondContact O-N 2.93Å; A134-A137 VanDerWaalsContact O-CB 3.27Å; A134-A137 WeakPolarHBondContact O-CB 3.46Å; A134-A137 PolarHBondContact O-N 3.11Å
135P79.2Confident85Confident95 Ų9571.5 Ų71.562%0.61736%0.356SS*.THydrogen-bonded Turntrans-59.7126.4176.126-33.2000109.4
136G82.6Confident85.2Confident24 Ų2470.9 Ų70.925%0.24735%0.35CS..THydrogen-bonded Turntrans93.3-3.8-175.400000115.5A134 A138 E139 A140A134-G136 PolarHBondContact O-N 2.93Å; G136-A138 PolarHBondContact O-N 3.04Å; G136-E139 PolarHBondContact O-N 3.28Å; G136-A140 PolarHBondContact O-N 2.9Å
137A83.7Confident85.5Confident3 Ų365.6 Ų65.63%0.02533%0.327CS..Hα-helixtrans-61.3-41.1177.600000113.6L92 N132 A134 E139 A140 F141L92-A137 HydrophobicContact CD1-CB 4.28Å; L92-A137 HydrophobicContact CD2-CB 4.15Å; N132-A137 WeakPolarHBondContact O-CB 3.45Å; A134-A137 VanDerWaalsContact O-CB 3.27Å; A134-A137 WeakPolarHBondContact O-CB 3.46Å; A134-A137 PolarHBondContact O-N 3.11Å; A137-E139 PolarHBondContact O-N 3.42Å; A137-A140 PolarHBondContact O-N 3.32Å; A137-F141 VanDerWaalsContact O-CB 3.31Å; A137-F141 WeakPolarHBondContact O-CB 3.35Å; A137-F141 PolarHBondContact O-N 3.35Å
138A86.3Confident85.8Confident69 Ų6968.1 Ų68.157%0.5734%0.336SS*.Hα-helixtrans-62.8-40.9175.800000112.3G136 K142G136-A138 PolarHBondContact O-N 3.04Å; A138-K142 WeakPolarHBondContact O-CB 3.32Å; A138-K142 PolarHBondContact O-N 3.28Å
139E89Confident86.1Confident126 Ų12668 Ų6859%0.58934%0.336SS*.Hα-helixtrans-68.8-44.2178.3-69.4-176163.200112L96 G136 A137 F141 K142 K143L96-E139 HydrophobicContact CD2-CB 3.82Å; G136-E139 PolarHBondContact O-N 3.28Å; A137-E139 PolarHBondContact O-N 3.42Å; E139-F141 VanDerWaalsContact C-N 3.32Å; E139-F141 PolarHBondContact O-N 3.05Å; E139-K142 WeakPolarHBondContact O-CB 3.04Å; E139-K142 PolarHBondContact O-N 3.42Å; E139-K143 PolarHBondContact O-N 3.26Å
140A88.9Confident86.6Confident0 Ų066.1 Ų66.10%032%0.323CS..Hα-helixtrans-61.5-42.6175.600000111.3L92 V95 L96 F127 G136 A137 K142 K143 I144L92-A140 HydrophobicContact CD2-CB 3.38Å; V95-A140 HydrophobicContact CB-CB 4.37Å; V95-A140 HydrophobicContact CG1-CB 3.98Å; L96-A140 HydrophobicContact CD2-CB 4.35Å; L96-A140 HydrophobicContact CG-CB 4.35Å; F127-A140 HydrophobicContact CD1-CB 4.45Å; G136-A140 PolarHBondContact O-N 2.9Å; A137-A140 PolarHBondContact O-N 3.32Å; A140-K142 VanDerWaalsContact C-N 3.32Å; A140-K142 PolarHBondContact O-N 3.03Å; A140-K143 PolarHBondContact O-N 2.96Å; A140-I144 WeakPolarHBondContact O-CD1 3.32Å; A140-I144 WeakPolarHBondContact O-CG1 3.44Å; A140-I144 PolarHBondContact O-N 2.81Å
141F90.7Very high87Confident48 Ų4860.6 Ų60.621%0.21129%0.294CS..Hα-helixtrans-62.1-39.6175-172.9-98.5000112A124 F127 A137 E139 I144 K145A124-F141 HydrophobicContact CB-CE2 3.99Å; F127-F141 HydrophobicContact CB-CD2 4.36Å; A137-F141 VanDerWaalsContact O-CB 3.31Å; A137-F141 WeakPolarHBondContact O-CB 3.35Å; A137-F141 PolarHBondContact O-N 3.35Å; E139-F141 VanDerWaalsContact C-N 3.32Å; E139-F141 PolarHBondContact O-N 3.05Å; F141-I144 PolarHBondContact O-N 3.45Å; F141-K145 WeakPolarHBondContact O-CB 3.39Å; F141-K145 PolarHBondContact O-N 3.36Å
142K90.7Very high87.5Confident152 Ų15255.9 Ų55.966%0.66128%0.276SS*.Hα-helixtrans-62-43.2175.2-163.2176.4-177.4-178.70111.6A138 E139 A140 K145 K146A138-K142 WeakPolarHBondContact O-CB 3.32Å; A138-K142 PolarHBondContact O-N 3.28Å; E139-K142 WeakPolarHBondContact O-CB 3.04Å; E139-K142 PolarHBondContact O-N 3.42Å; A140-K142 VanDerWaalsContact C-N 3.32Å; A140-K142 PolarHBondContact O-N 3.03Å; K142-K145 PolarHBondContact O-N 3.03Å; K142-K146 WeakPolarHBondContact O-CB 3.04Å; K142-K146 PolarHBondContact O-N 2.95Å
143K91.4Very high88.3Confident55 Ų5558.1 Ų58.124%0.23929%0.288CS..Hα-helixtrans-61.4-46173.5-79.7-166168.8-164.10112.6L96 C98 I104 E139 A140 K145 K146 A147L96-K143 PolarHBondContact O-NZ 2.91Å; C98-K143 PolarHBondContact O-NZ 3.01Å; I104-K143 HydrophobicContact CD1-CB 4.49Å; E139-K143 PolarHBondContact O-N 3.26Å; A140-K143 PolarHBondContact O-N 2.96Å; K143-K145 VanDerWaalsContact C-N 3.34Å; K143-K145 PolarHBondContact O-N 3.47Å; K143-K146 PolarHBondContact O-N 3.25Å; K143-A147 WeakPolarHBondContact O-CB 3.4Å; K143-A147 PolarHBondContact O-N 3.4Å
144I92.1Very high88.9Confident0 Ų053.2 Ų53.20%028%0.282CS..Hα-helixtrans-61.5-42.7178.3-70.7157.4000111.3V95 I104 L105 F120 H123 F127 A140 F141 A147 Y148V95-I144 HydrophobicContact CG1-CD1 4.09Å; V95-I144 HydrophobicContact CG1-CG1 3.98Å; I104-I144 HydrophobicContact CG2-CB 4.43Å; I104-I144 HydrophobicContact CG2-CG1 3.81Å; L105-I144 HydrophobicContact CD2-CG2 4.21Å; F120-I144 HydrophobicContact CD2-CG2 3.84Å; F120-I144 HydrophobicContact CE2-CG2 4.14Å; H123-I144 HydrophobicContact CB-CD1 4.1Å; H123-I144 HydrophobicContact CB-CG2 3.91Å; F127-I144 HydrophobicContact CB-CD1 4.03Å; F127-I144 HydrophobicContact CD2-CD1 3.21Å; F127-I144 HydrophobicContact CE2-CD1 3.75Å; F127-I144 HydrophobicContact CG-CD1 3.8Å; A140-I144 WeakPolarHBondContact O-CD1 3.32Å; A140-I144 WeakPolarHBondContact O-CG1 3.44Å; A140-I144 PolarHBondContact O-N 2.81Å; F141-I144 PolarHBondContact O-N 3.45Å; I144-A147 PolarHBondContact O-N 3.04Å; I144-Y148 WeakPolarHBondContact O-CB 3.33Å; I144-Y148 PolarHBondContact O-N 3.49Å
145K92.6Very high89.4Confident114 Ų11457.4 Ų57.450%0.49630%0.303SS..Hα-helixtrans-63.6-45.4177.4-168.6-177.3179-168.20111.3F141 K142 K143 A147 Y148 E149F141-K145 WeakPolarHBondContact O-CB 3.39Å; F141-K145 PolarHBondContact O-N 3.36Å; K142-K145 PolarHBondContact O-N 3.03Å; K143-K145 VanDerWaalsContact C-N 3.34Å; K143-K145 PolarHBondContact O-N 3.47Å; K145-A147 PolarHBondContact O-N 3.41Å; K145-Y148 PolarHBondContact O-N 3.28Å; K145-E149 WeakPolarHBondContact O-CB 3.36Å; K145-E149 PolarHBondContact O-N 2.99Å
146K91.8Very high89.9Confident85 Ų8555.5 Ų55.537%0.3729%0.285SS..Hα-helixtrans-60.3-44176.2-168.7178.1-179.3-173.90111.6Y101 K142 K143 Y148 E149 V150 E167Y101-K146 HydrophobicContact CE1-CD 4.49Å; Y101-K146 HydrophobicContact CE1-CG 4.31Å; Y101-K146 VanDerWaalsContact OH-CE 3.27Å; Y101-K146 WeakPolarHBondContact OH-CE 3.23Å; K142-K146 WeakPolarHBondContact O-CB 3.04Å; K142-K146 PolarHBondContact O-N 2.95Å; K143-K146 PolarHBondContact O-N 3.25Å; K146-Y148 PolarHBondContact O-N 2.96Å; K146-E149 PolarHBondContact O-N 3.41Å; K146-V150 WeakPolarHBondContact O-CG2 3.5Å; K146-V150 PolarHBondContact O-N 3.5Å; K146-V150 VanDerWaalsContact O-N 3.1Å; K146-E167 IonicContact NZ-OE1 3.27Å; K146-E167 PolarHBondContact NZ-OE1 3.24Å
147A92Very high90.3Very high0 Ų056.2 Ų56.20%028%0.28CS..Hα-helixtrans-59.4-46.1175.900000112.2Y101 I104 L105 K143 I144 K145 L151Y101-A147 HydrophobicContact CD1-CB 3.58Å; Y101-A147 HydrophobicContact CE1-CB 4.49Å; Y101-A147 HydrophobicContact CG-CB 3.93Å; I104-A147 HydrophobicContact CB-CB 4.27Å; I104-A147 HydrophobicContact CG2-CB 3.88Å; L105-A147 HydrophobicContact CD1-CB 4.2Å; L105-A147 HydrophobicContact CG-CB 4.19Å; K143-A147 WeakPolarHBondContact O-CB 3.4Å; K143-A147 PolarHBondContact O-N 3.4Å; I144-A147 PolarHBondContact O-N 3.04Å; K145-A147 PolarHBondContact O-N 3.41Å; A147-L151 VanDerWaalsContact O-CB 3.3Å; A147-L151 WeakPolarHBondContact O-CB 3.01Å; A147-L151 VanDerWaalsContact O-CG 3.26Å; A147-L151 WeakPolarHBondContact O-CG 3.49Å; A147-L151 PolarHBondContact O-N 3.22Å
148Y93.9Very high90.4Very high59 Ų5961.6 Ų61.623%0.23131%0.305CS..Hα-helixtrans-61.8-43.7177.5174.1-107.9000112.5I116 K117 F120 I144 K145 K146 V150 L151 T152I116-Y148 HydrophobicContact CG2-CD2 4.03Å; I116-Y148 HydrophobicContact CG2-CE2 4.42Å; K117-Y148 HydrophobicContact CG-CE2 3.86Å; F120-Y148 HydrophobicContact CB-CD2 3.44Å; F120-Y148 VanDerWaalsContact CB-CD2 3.44Å; F120-Y148 HydrophobicContact CB-CE2 3.99Å; F120-Y148 HydrophobicContact CB-CG 3.92Å; F120-Y148 HydrophobicContact CD1-CD1 4.07Å; F120-Y148 HydrophobicContact CD1-CD2 4.01Å; F120-Y148 HydrophobicContact CD1-CE1 4.15Å; F120-Y148 HydrophobicContact CD1-CE2 4.11Å; F120-Y148 AromaticContact CD1-CG 3.99Å; F120-Y148 HydrophobicContact CD1-CG 3.99Å; F120-Y148 VanDerWaalsContact CD2-CB 3.45Å; F120-Y148 HydrophobicContact CD2-CD1 4.1Å; F120-Y148 HydrophobicContact CD2-CD2 4.07Å; F120-Y148 AromaticContact CD2-CG 3.6Å; F120-Y148 HydrophobicContact CD2-CG 3.6Å; F120-Y148 HydrophobicContact CE1-CD1 4.12Å; F120-Y148 HydrophobicContact CE1-CE1 4.2Å; F120-Y148 HydrophobicContact CE1-CG 4.44Å; F120-Y148 HydrophobicContact CE2-CD1 4.15Å; F120-Y148 HydrophobicContact CE2-CG 4.08Å; F120-Y148 HydrophobicContact CG-CD1 4.06Å; F120-Y148 AromaticContact CG-CD2 3.57Å; F120-Y148 HydrophobicContact CG-CD2 3.57Å; F120-Y148 HydrophobicContact CG-CE2 4.1Å; F120-Y148 AromaticContact CG-CG 3.54Å; F120-Y148 HydrophobicContact CG-CG 3.54Å; F120-Y148 HydrophobicContact CZ-CD1 4.16Å; F120-Y148 HydrophobicContact CZ-CG 4.48Å; I144-Y148 WeakPolarHBondContact O-CB 3.33Å; I144-Y148 PolarHBondContact O-N 3.49Å; K145-Y148 PolarHBondContact O-N 3.28Å; K146-Y148 PolarHBondContact O-N 2.96Å; Y148-V150 PolarHBondContact O-N 3.48Å; Y148-L151 PolarHBondContact O-N 2.99Å; Y148-T152 VanDerWaalsContact CD2-OG1 3.31Å; Y148-T152 WeakPolarHBondContact CD2-OG1 3.31Å; Y148-T152 HydrophobicContact CE2-CG2 4.42Å; Y148-T152 WeakPolarHBondContact CE2-OG1 3.34Å; Y148-T152 VanDerWaalsContact O-CB 3.28Å; Y148-T152 WeakPolarHBondContact O-CB 3.19Å; Y148-T152 PolarHBondContact O-N 2.62Å; Y148-T152 PolarHBondContact O-OG1 3.29Å
149E92.1Very high90.4Very high76 Ų7664.6 Ų64.636%0.35530%0.302SS..Hα-helixtrans-66.3-36.5-178.1-169170.4-164.400113.1K145 K146 F182K145-E149 WeakPolarHBondContact O-CB 3.36Å; K145-E149 PolarHBondContact O-N 2.99Å; K146-E149 PolarHBondContact O-N 3.41Å; E149-F182 WeakPolarHBondContact OE1-CZ 3.45Å
150V91.6Very high90.4Very high25 Ų2559.5 Ų59.515%0.15228%0.277CS..Hα-helixtrans-74.2-41175.3174.30000111.5Y101 K146 Y148 K156 R157 Y160Y101-V150 HydrophobicContact CD2-CB 3.92Å; Y101-V150 HydrophobicContact CD2-CG1 3.77Å; Y101-V150 HydrophobicContact CD2-CG2 4.33Å; Y101-V150 HydrophobicContact CE2-CB 3.86Å; Y101-V150 HydrophobicContact CE2-CG1 3.75Å; Y101-V150 HydrophobicContact CE2-CG2 3.76Å; K146-V150 WeakPolarHBondContact O-CG2 3.5Å; K146-V150 PolarHBondContact O-N 3.5Å; K146-V150 VanDerWaalsContact O-N 3.1Å; Y148-V150 PolarHBondContact O-N 3.48Å; V150-K156 HydrophobicContact CG1-CB 4.2Å; V150-K156 CarbonylContact O-C 3.45Å; V150-K156 WeakPolarHBondContact O-CB 3.49Å; V150-R157 PolarHBondContact O-N 3.41Å; V150-R157 VanDerWaalsContact O-N 3.12Å; V150-Y160 HydrophobicContact CG1-CD2 4.32Å; V150-Y160 HydrophobicContact CG1-CG 4.1Å
151L91.6Very high90.3Very high0 Ų063.8 Ų63.80%030%0.3CS..Hα-helixtrans-81.7-19.4-173.8-69.4174.2000114.4Y102 L105 I116 A147 Y148 R157 Y160Y102-L151 HydrophobicContact CD1-CD1 4.03Å; Y102-L151 HydrophobicContact CD1-CD2 4.01Å; Y102-L151 HydrophobicContact CD2-CD2 4.41Å; Y102-L151 HydrophobicContact CE1-CD1 4.24Å; Y102-L151 HydrophobicContact CE1-CD2 3.44Å; Y102-L151 VanDerWaalsContact CE1-CD2 3.44Å; Y102-L151 HydrophobicContact CE1-CG 4.45Å; Y102-L151 HydrophobicContact CE2-CD2 3.91Å; Y102-L151 HydrophobicContact CG-CD1 4.44Å; Y102-L151 HydrophobicContact CG-CD2 4.46Å; L105-L151 HydrophobicContact CD1-CD1 3.66Å; I116-L151 HydrophobicContact CD1-CB 4.14Å; I116-L151 HydrophobicContact CG2-CB 4.09Å; A147-L151 VanDerWaalsContact O-CB 3.3Å; A147-L151 WeakPolarHBondContact O-CB 3.01Å; A147-L151 VanDerWaalsContact O-CG 3.26Å; A147-L151 WeakPolarHBondContact O-CG 3.49Å; A147-L151 PolarHBondContact O-N 3.22Å; Y148-L151 PolarHBondContact O-N 2.99Å; L151-R157 HydrophobicContact CD2-CG 4.18Å; L151-Y160 HydrophobicContact CD2-CD1 4.42Å
152T91.1Very high89.9Confident35 Ų3567.2 Ų67.222%0.21532%0.317CS..Hα-helixtrans-85.5-22.5178.9-50.80000112.6Y148Y148-T152 VanDerWaalsContact CD2-OG1 3.31Å; Y148-T152 WeakPolarHBondContact CD2-OG1 3.31Å; Y148-T152 HydrophobicContact CE2-CG2 4.42Å; Y148-T152 WeakPolarHBondContact CE2-OG1 3.34Å; Y148-T152 VanDerWaalsContact O-CB 3.28Å; Y148-T152 WeakPolarHBondContact O-CB 3.19Å; Y148-T152 PolarHBondContact O-N 2.62Å; Y148-T152 PolarHBondContact O-OG1 3.29Å
153D90.1Very high89.3Confident54 Ų5468.5 Ų68.529%0.28932%0.318SS..SBendtrans-95.6114.7-178.3-170.2-20.5000108.8D155 K156 R157D153-D155 PolarHBondContact O-N 3.17Å; D153-K156 HydrophobicContact CB-CB 4.07Å; D153-K156 HydrophobicContact CB-CD 3.9Å; D153-K156 HydrophobicContact CB-CG 4.01Å; D153-K156 PolarHBondContact O-N 2.95Å; D153-K156 VanDerWaalsContact O-N 3.07Å; D153-K156 WeakPolarHBondContact OD2-CD 3.49Å; D153-K156 WeakPolarHBondContact OD2-CE 3.39Å; D153-K156 IonicContact OD2-NZ 3.52Å; D153-K156 PolarHBondContact OD2-NZ 2.93Å; D153-R157 WeakPolarHBondContact O-CB 3.43Å; D153-R157 PolarHBondContact O-N 2.9Å
154P88.9Confident88.6Confident92 Ų9267.3 Ų67.360%0.59732%0.322SS*.Hα-helixtrans-58.4-36.6-170.922.3-32.9000112.5Q158P154-Q158 WeakPolarHBondContact O-CB 3.33Å; P154-Q158 PolarHBondContact O-N 3.13Å
155D87.3Confident87.2Confident94 Ų9468.7 Ų68.750%0.50333%0.334SS..Hα-helixtrans-70.8-33.9-179.8-67.5-17.3000112.3D153 R159D153-D155 PolarHBondContact O-N 3.17Å; D155-R159 WeakPolarHBondContact O-CG 3.35Å; D155-R159 PolarHBondContact O-N 3.49Å; D155-R159 PolarHBondContact O-NE 3.43Å; D155-R159 VanDerWaalsContact O-NE 3.08Å
156K89.8Confident85.7Confident54 Ų5471 Ų7124%0.23535%0.346CS..Hα-helixtrans-80-37.9178.2-63.3-178.7-172.5157.70111.1V150 D153 R159 Y160V150-K156 HydrophobicContact CG1-CB 4.2Å; V150-K156 CarbonylContact O-C 3.45Å; V150-K156 WeakPolarHBondContact O-CB 3.49Å; D153-K156 HydrophobicContact CB-CB 4.07Å; D153-K156 HydrophobicContact CB-CD 3.9Å; D153-K156 HydrophobicContact CB-CG 4.01Å; D153-K156 PolarHBondContact O-N 2.95Å; D153-K156 VanDerWaalsContact O-N 3.07Å; D153-K156 WeakPolarHBondContact OD2-CD 3.49Å; D153-K156 WeakPolarHBondContact OD2-CE 3.39Å; D153-K156 IonicContact OD2-NZ 3.52Å; D153-K156 PolarHBondContact OD2-NZ 2.93Å; K156-R159 PolarHBondContact O-N 3.12Å; K156-Y160 VanDerWaalsContact O-CB 3.32Å; K156-Y160 WeakPolarHBondContact O-CB 3.2Å; K156-Y160 PolarHBondContact O-N 3.18Å
157R90.4Very high84Confident40 Ų4072.7 Ų72.715%0.15136%0.355CS..Hα-helixtrans-60.5-46.4173.9-176.1176.7-179.7174.30.5110.5Y102 Q109 A111 D113 V150 L151 D153 R159 Y160 D161Y102-R157 PolarHBondContact OH-NE 2.84Å; Y102-R157 VanDerWaalsContact OH-NE 3.09Å; Q109-R157 PolarHBondContact O-NH2 3.09Å; A111-R157 PolarHBondContact O-NH1 3.3Å; A111-R157 VanDerWaalsContact O-NH1 3.14Å; A111-R157 PolarHBondContact O-NH2 3.4Å; D113-R157 IonicContact OD1-NH1 3.22Å; D113-R157 PolarHBondContact OD1-NH1 3.06Å; V150-R157 PolarHBondContact O-N 3.41Å; V150-R157 VanDerWaalsContact O-N 3.12Å; L151-R157 HydrophobicContact CD2-CG 4.18Å; D153-R157 WeakPolarHBondContact O-CB 3.43Å; D153-R157 PolarHBondContact O-N 2.9Å; R157-R159 PolarHBondContact O-N 2.95Å; R157-Y160 WeakPolarHBondContact O-CB 3.28Å; R157-Y160 PolarHBondContact O-N 3.28Å; R157-D161 WeakPolarHBondContact O-CB 3.18Å; R157-D161 PolarHBondContact O-N 3.48Å
158Q86.6Confident81.6Confident116 Ų11679.7 Ų79.754%0.54239%0.388SS..Hα-helixtrans-61.9-42.8177.2-167.2179.523.800112.2P154 D161 Q162P154-Q158 WeakPolarHBondContact O-CB 3.33Å; P154-Q158 PolarHBondContact O-N 3.13Å; Q158-D161 PolarHBondContact O-N 3.11Å; Q158-Q162 WeakPolarHBondContact O-CB 3.25Å; Q158-Q162 WeakPolarHBondContact O-CG 3.2Å; Q158-Q162 PolarHBondContact O-N 3.32Å
159R86.5Confident78.8Confident132 Ų13285.2 Ų85.250%0.49842%0.416SS..Hα-helixtrans-62.7-43173.9-82.1-179.3-92.4175.1-13.7112.3D155 K156 R157 Q162 Y163D155-R159 WeakPolarHBondContact O-CG 3.35Å; D155-R159 PolarHBondContact O-N 3.49Å; D155-R159 PolarHBondContact O-NE 3.43Å; D155-R159 VanDerWaalsContact O-NE 3.08Å; K156-R159 PolarHBondContact O-N 3.12Å; R157-R159 PolarHBondContact O-N 2.95Å; R159-Q162 PolarHBondContact O-N 3.49Å; R159-Y163 WeakPolarHBondContact O-CD2 3.36Å; R159-Y163 PolarHBondContact O-N 3.49Å
160Y87.4Confident76.2Confident18 Ų1887.1 Ų87.17%0.07143%0.432CS..Hα-helixtrans-63.2-41.9176.6175.4-95.4000112.2N100 Y101 Y102 V150 L151 K156 R157 Q162 G164 A165N100-Y160 VanDerWaalsContact CA-OH 3.3Å; N100-Y160 WeakPolarHBondContact CA-OH 3.43Å; N100-Y160 PolarHBondContact OD1-OH 2.97Å; Y101-Y160 HydrophobicContact CD2-CD1 4.33Å; Y101-Y160 AromaticContact CD2-CD2 3.28Å; Y101-Y160 HydrophobicContact CD2-CD2 3.28Å; Y101-Y160 HydrophobicContact CD2-CE1 4.21Å; Y101-Y160 AromaticContact CD2-CE2 3.07Å; Y101-Y160 HydrophobicContact CD2-CE2 3.07Å; Y101-Y160 AromaticContact CD2-CG 3.9Å; Y101-Y160 HydrophobicContact CD2-CG 3.9Å; Y101-Y160 AromaticContact CD2-CZ 3.6Å; Y101-Y160 AromaticContact CE2-CD2 3.37Å; Y101-Y160 HydrophobicContact CE2-CD2 3.37Å; Y101-Y160 AromaticContact CE2-CE2 3.37Å; Y101-Y160 HydrophobicContact CE2-CE2 3.37Å; Y101-Y160 HydrophobicContact CE2-CG 4.28Å; Y101-Y160 HydrophobicContact CG-CD2 4.42Å; Y101-Y160 AromaticContact CG-CE2 3.84Å; Y101-Y160 HydrophobicContact CG-CE2 3.84Å; Y101-Y160 PolarHBondContact N-OH 2.87Å; Y102-Y160 AromaticContact CD2-CE1 3.83Å; Y102-Y160 HydrophobicContact CD2-CE1 3.83Å; Y102-Y160 AromaticContact CE2-CD1 3.97Å; Y102-Y160 HydrophobicContact CE2-CD1 3.97Å; Y102-Y160 AromaticContact CE2-CE1 3.6Å; Y102-Y160 HydrophobicContact CE2-CE1 3.6Å; V150-Y160 HydrophobicContact CG1-CD2 4.32Å; V150-Y160 HydrophobicContact CG1-CG 4.1Å; L151-Y160 HydrophobicContact CD2-CD1 4.42Å; K156-Y160 VanDerWaalsContact O-CB 3.32Å; K156-Y160 WeakPolarHBondContact O-CB 3.2Å; K156-Y160 PolarHBondContact O-N 3.18Å; R157-Y160 WeakPolarHBondContact O-CB 3.28Å; R157-Y160 PolarHBondContact O-N 3.28Å; Y160-Q162 VanDerWaalsContact C-N 3.26Å; Y160-Q162 PolarHBondContact O-N 3.07Å; Y160-G164 WeakPolarHBondContact O-CA 3.4Å; Y160-G164 PolarHBondContact O-N 3.25Å; Y160-A165 HydrophobicContact CE2-CB 3.86Å
161D87.4Confident73.5Confident90 Ų9098.1 Ų98.148%0.48147%0.471SS..Hα-helixtrans-67.6-28.3177.8-66.1-21.3000111.7Y102 R157 Q158Y102-D161 WeakPolarHBondContact CE2-OD1 3.37Å; Y102-D161 PolarHBondContact OH-OD1 3.34Å; Y102-D161 PolarHBondContact OH-OD2 2.04Å; R157-D161 WeakPolarHBondContact O-CB 3.18Å; R157-D161 PolarHBondContact O-N 3.48Å; Q158-D161 PolarHBondContact O-N 3.11Å
162Q81.9Confident70.9Confident121 Ų121102.1 Ų102.157%0.56550%0.499SS*.Hα-helixtrans-83.4-42.6176.9-77.2178.7-1000114.3Q158 R159 Y160Q158-Q162 WeakPolarHBondContact O-CB 3.25Å; Q158-Q162 WeakPolarHBondContact O-CG 3.2Å; Q158-Q162 PolarHBondContact O-N 3.32Å; R159-Q162 PolarHBondContact O-N 3.49Å; Y160-Q162 VanDerWaalsContact C-N 3.26Å; Y160-Q162 PolarHBondContact O-N 3.07Å
163Y79.6Confident68.2Low178 Ų178106.7 Ų106.770%0.69853%0.529SS*.Hα-helixtrans-113.4-9.4-168.8-60.4-72.8000114.1R159R159-Y163 WeakPolarHBondContact O-CD2 3.36Å; R159-Y163 PolarHBondContact O-N 3.49Å
164G75.9Confident65.8Low30 Ų30113 Ų11331%0.30956%0.557SS.*  trans77.1-172.9-175.400000113.7Y160 E166Y160-G164 WeakPolarHBondContact O-CA 3.4Å; Y160-G164 PolarHBondContact O-N 3.25Å; G164-E166 PolarHBondContact O-N 2.98Å
165A63.4Low63Low30 Ų30114.7 Ų114.725%0.24857%0.566CS.*  trans-68.4113.8175.900000110Y160 E167Y160-A165 HydrophobicContact CE2-CB 3.86Å; A165-E167 PolarHBondContact O-N 3.22Å
166E60.6Low60.4Low161 Ų161118.2 Ų118.275%0.75258%0.579SS**G310 helixtrans-58.25.4-179.1-68.4-178.3158.400115.8G164 E168G164-E166 PolarHBondContact O-N 2.98Å; E166-E168 PolarHBondContact O-N 3.05Å
167E55.4Low57.7Low121 Ų121127 Ų12757%0.56561%0.611SS**G310 helixtrans-75-3.2-176.5-70.5-174.117300114.5K146 A165K146-E167 IonicContact NZ-OE1 3.27Å; K146-E167 PolarHBondContact NZ-OE1 3.24Å; A165-E167 PolarHBondContact O-N 3.22Å
168E42.9Very low55Low148 Ų148134.9 Ų134.969%0.69265%0.649SS**G310 helixtrans-115.21.6-172.4-144.9135.3-150.700115.1K99 E166K99-E168 VanDerWaalsContact NZ-CD 3.33Å; K99-E168 IonicContact NZ-OE1 2.93Å; K99-E168 PolarHBondContact NZ-OE1 3.01Å; K99-E168 IonicContact NZ-OE2 2.9Å; K99-E168 PolarHBondContact NZ-OE2 3.19Å; E166-E168 PolarHBondContact O-N 3.05Å
169Q34Very low52.3Low174 Ų174132.1 Ų132.181%0.81365%0.651SS**SBendtrans-108128.9175.1-69.1-171.37.400112.7
170V38.3Very low49.9Very low116 Ų116133 Ų13370%0.70367%0.665SS**  trans93.668.3163.8-155.90000116.9S172V170-S172 WeakPolarHBondContact CG1-OG 3.36Å; V170-S172 PolarHBondContact O-N 3.05Å
171R34.1Very low47.9Very low256 Ų256137.1 Ų137.197%0.96669%0.693SS**  trans-72.891136.7-78177.5163.6174.7-4.5108.6
172S36.6Very low45.5Very low85 Ų85138.5 Ų138.559%0.59470%0.695SS**  trans-142.6122.6168.2-570000110V170 Q174V170-S172 WeakPolarHBondContact CG1-OG 3.36Å; V170-S172 PolarHBondContact O-N 3.05Å; S172-Q174 PolarHBondContact O-N 3.49Å
173P34.6Very low43.6Very low130 Ų130141.3 Ų141.384%0.84471%0.705SS**  trans-85.6100.317831.7-27.5000109.4
174Q39.3Very low42Very low188 Ų188137.5 Ų137.588%0.87969%0.694SS**  trans-138.3142.2167-76.4-163.2-43.400113S172S172-Q174 PolarHBondContact O-N 3.49Å
175V31.4Very low40.7Very low127 Ų127143.9 Ų143.977%0.7771%0.71SS**  trans-75.8131.6-164.7167.20000112.3
176H32.4Very low40.2Very low168 Ų168149.1 Ų149.178%0.77873%0.734SS**  trans72.2125.8150.2-73.95.8000122.1
177R32Very low40Very low239 Ų239143.9 Ų143.990%0.90272%0.718SS**  trans88.9126.9150.8-72.7-179.8172.6158.2-2117.7
178H34Very low40Very low205 Ų205141.6 Ų141.695%0.94971%0.71SS**  trans74.7116.5171.7-103.9-51.3000117.3
179G31.6Very low40.7Very low58 Ų58138.4 Ų138.460%0.59870%0.7SS**  trans156.962.4162.600000116.2
180D35.2Very low41.8Very low149 Ų149136.4 Ų136.480%0.79769%0.689SS**  trans-12859.5163.7-105.3-23.8000108.6F182D180-F182 PolarHBondContact O-N 3.31Å
181T44.3Very low43Very low106 Ų106134.3 Ų134.365%0.6568%0.676SS**  trans-92.97.1-161.3-16.80000115.1
182F38.1Very low44.4Very low118 Ų118127.5 Ų127.552%0.51866%0.657SS.*SBendtrans-118.2-31.6-166.5-161.9-105.4000116.2E149 D180 Q184E149-F182 WeakPolarHBondContact OE1-CZ 3.45Å; D180-F182 PolarHBondContact O-N 3.31Å; F182-Q184 VanDerWaalsContact C-N 3.3Å
183F42.8Very low45.6Very low180 Ų180131 Ų13179%0.78966%0.662SS**SBendtrans-88.9-2.9172.9-81.3-79.8000113.5
184Q44.6Very low47.1Very low98 Ų98132 Ų13246%0.45865%0.653SS.*SBendtrans-96.5-18-173.2-170.9125.438.500112.2F182 D188F182-Q184 VanDerWaalsContact C-N 3.3Å; Q184-D188 VanDerWaalsContact CD-OD2 3.29Å; Q184-D188 HydrophobicContact CG-CB 4.1Å; Q184-D188 WeakPolarHBondContact CG-OD1 3.43Å; Q184-D188 WeakPolarHBondContact CG-OD2 3.34Å; Q184-D188 VanDerWaalsContact NE2-CG 3.33Å; Q184-D188 PolarHBondContact NE2-OD1 2.98Å; Q184-D188 PolarHBondContact NE2-OD2 3.13Å; Q184-D188 VanDerWaalsContact NE2-OD2 3.15Å; Q184-D188 WeakPolarHBondContact O-CA 3.33Å; Q184-D188 WeakPolarHBondContact O-CB 3.43Å; Q184-D188 PolarHBondContact O-N 3.14Å
185Y48.3Very low47.9Very low164 Ų164129.3 Ų129.364%0.64365%0.645SS**Hα-helixtrans-68.1-44.5-174.1-115.4-93.9000113.9V189Y185-V189 HydrophobicContact CD1-CG2 4.34Å; Y185-V189 WeakPolarHBondContact O-CB 3.18Å; Y185-V189 WeakPolarHBondContact O-CG2 3.31Å; Y185-V189 PolarHBondContact O-N 3.33Å
186D54.4Low48.7Very low141 Ų141126.8 Ų126.875%0.75464%0.644SS**Hα-helixtrans-76.6-32.4-179.9-68.1-27.8000112.3F190D186-F190 WeakPolarHBondContact O-CB 3.46Å; D186-F190 PolarHBondContact O-N 3.08Å
187A56.4Low49.3Very low51 Ų51120.9 Ų120.942%0.42163%0.629SS.*Hα-helixtrans-74.7-44176.400000111.3F190 T191A187-F190 PolarHBondContact O-N 3.2Å; A187-T191 WeakPolarHBondContact O-CB 3.3Å; A187-T191 PolarHBondContact O-N 2.98Å; A187-T191 PolarHBondContact O-OG1 3.4Å
188D54.5Low50.3Low73 Ų73117.7 Ų117.739%0.3962%0.622SS.*Hα-helixtrans-73.7-31.9178.2-78.85000111.9Q184 T191 M192Q184-D188 VanDerWaalsContact CD-OD2 3.29Å; Q184-D188 HydrophobicContact CG-CB 4.1Å; Q184-D188 WeakPolarHBondContact CG-OD1 3.43Å; Q184-D188 WeakPolarHBondContact CG-OD2 3.34Å; Q184-D188 VanDerWaalsContact NE2-CG 3.33Å; Q184-D188 PolarHBondContact NE2-OD1 2.98Å; Q184-D188 PolarHBondContact NE2-OD2 3.13Å; Q184-D188 VanDerWaalsContact NE2-OD2 3.15Å; Q184-D188 WeakPolarHBondContact O-CA 3.33Å; Q184-D188 WeakPolarHBondContact O-CB 3.43Å; Q184-D188 PolarHBondContact O-N 3.14Å; D188-T191 PolarHBondContact O-N 3.49Å; D188-M192 WeakPolarHBondContact O-CA 3.4Å; D188-M192 WeakPolarHBondContact O-CB 3.24Å; D188-M192 PolarHBondContact O-N 3Å
189V58.8Low51.1Low80 Ų80113 Ų11349%0.48561%0.61SS.*Hα-helixtrans-65.3-44.2172169.90000110.2Y185 F193Y185-V189 HydrophobicContact CD1-CG2 4.34Å; Y185-V189 WeakPolarHBondContact O-CB 3.18Å; Y185-V189 WeakPolarHBondContact O-CG2 3.31Å; Y185-V189 PolarHBondContact O-N 3.33Å; V189-F193 VanDerWaalsContact O-CB 3.23Å; V189-F193 WeakPolarHBondContact O-CB 3.23Å; V189-F193 PolarHBondContact O-N 2.95Å; V189-F193 VanDerWaalsContact O-N 3.1Å
190F56.8Low51.6Low133 Ų133119.1 Ų119.158%0.58362%0.62SS**Hα-helixtrans-67.9-36.9174.1-111.7-94.5000112.9D186 A187 F193 F194D186-F190 WeakPolarHBondContact O-CB 3.46Å; D186-F190 PolarHBondContact O-N 3.08Å; A187-F190 PolarHBondContact O-N 3.2Å; F190-F193 PolarHBondContact O-N 3.38Å; F190-F194 AromaticContact CD1-CD2 3.41Å; F190-F194 HydrophobicContact CD1-CD2 3.41Å; F190-F194 VanDerWaalsContact CD1-CD2 3.41Å; F190-F194 AromaticContact CD1-CE2 3.59Å; F190-F194 HydrophobicContact CD1-CE2 3.59Å; F190-F194 HydrophobicContact CD1-CG 4.36Å; F190-F194 AromaticContact CE1-CD2 3.67Å; F190-F194 HydrophobicContact CE1-CD2 3.67Å; F190-F194 AromaticContact CE1-CE2 3.33Å; F190-F194 HydrophobicContact CE1-CE2 3.33Å; F190-F194 HydrophobicContact CE1-CZ 4.09Å; F190-F194 HydrophobicContact CG-CD2 4.23Å; F190-F194 HydrophobicContact CG-CE2 4.45Å; F190-F194 HydrophobicContact CZ-CE2 4.02Å; F190-F194 WeakPolarHBondContact O-CB 3.34Å; F190-F194 WeakPolarHBondContact O-CD2 3.32Å; F190-F194 PolarHBondContact O-N 3.35Å
191T62.6Low51.7Low71 Ų71117.1 Ų117.144%0.43662%0.618SS.*Hα-helixtrans-74.9-36.3-179.1-52.30000111.4A187 D188 F193 N195A187-T191 WeakPolarHBondContact O-CB 3.3Å; A187-T191 PolarHBondContact O-N 2.98Å; A187-T191 PolarHBondContact O-OG1 3.4Å; D188-T191 PolarHBondContact O-N 3.49Å; T191-F193 VanDerWaalsContact C-N 3.3Å; T191-F193 PolarHBondContact O-N 3.43Å; T191-N195 HydrophobicContact CG2-CB 3.82Å; T191-N195 WeakPolarHBondContact O-CA 3.47Å; T191-N195 WeakPolarHBondContact O-CB 3.34Å; T191-N195 PolarHBondContact O-N 3.29Å
192M64.1Low51.7Low113 Ų113120.7 Ų120.756%0.55763%0.627SS**Hα-helixtrans-68.5-29.9173.3-167.8177.8-152.600111.6D188 P199D188-M192 WeakPolarHBondContact O-CA 3.4Å; D188-M192 WeakPolarHBondContact O-CB 3.24Å; D188-M192 PolarHBondContact O-N 3Å; M192-P199 HydrophobicContact CE-CG 4.01Å
193F61.8Low51.6Low159 Ų159121.8 Ų121.870%0.69764%0.643SS**Hα-helixtrans-89-36.4-179.8-148-91000114V189 F190 T191V189-F193 VanDerWaalsContact O-CB 3.23Å; V189-F193 WeakPolarHBondContact O-CB 3.23Å; V189-F193 PolarHBondContact O-N 2.95Å; V189-F193 VanDerWaalsContact O-N 3.1Å; F190-F193 PolarHBondContact O-N 3.38Å; T191-F193 VanDerWaalsContact C-N 3.3Å; T191-F193 PolarHBondContact O-N 3.43Å
194F65.1Low51.7Low151 Ų151123 Ų12366%0.66264%0.644SS**Hα-helixtrans-105-15.4-175.2-75.5-88.4000114.8F190F190-F194 AromaticContact CD1-CD2 3.41Å; F190-F194 HydrophobicContact CD1-CD2 3.41Å; F190-F194 VanDerWaalsContact CD1-CD2 3.41Å; F190-F194 AromaticContact CD1-CE2 3.59Å; F190-F194 HydrophobicContact CD1-CE2 3.59Å; F190-F194 HydrophobicContact CD1-CG 4.36Å; F190-F194 AromaticContact CE1-CD2 3.67Å; F190-F194 HydrophobicContact CE1-CD2 3.67Å; F190-F194 AromaticContact CE1-CE2 3.33Å; F190-F194 HydrophobicContact CE1-CE2 3.33Å; F190-F194 HydrophobicContact CE1-CZ 4.09Å; F190-F194 HydrophobicContact CG-CD2 4.23Å; F190-F194 HydrophobicContact CG-CE2 4.45Å; F190-F194 HydrophobicContact CZ-CE2 4.02Å; F190-F194 WeakPolarHBondContact O-CB 3.34Å; F190-F194 WeakPolarHBondContact O-CD2 3.32Å; F190-F194 PolarHBondContact O-N 3.35Å
195N57.1Low51.4Low131 Ų131128.7 Ų128.770%0.70166%0.661SS**SBendtrans-109.817.3-175.1-143.455.5000114.5T191T191-N195 HydrophobicContact CG2-CB 3.82Å; T191-N195 WeakPolarHBondContact O-CA 3.47Å; T191-N195 WeakPolarHBondContact O-CB 3.34Å; T191-N195 PolarHBondContact O-N 3.29Å
196G47.8Very low50.9Low74 Ų74128.6 Ų128.676%0.76367%0.672SS**  trans76.623.4160.300000117.9
197G45.4Very low50.2Low45 Ų45129 Ų12946%0.46467%0.669SS.*  trans-111.776.9-175.700000114.8
198F52.7Low49.6Very low172 Ų172137 Ų13775%0.75469%0.689SS**  trans-72.7126164.1-89.2-85.8000109.9F200F198-F200 PolarHBondContact O-N 3.03Å
199P51.4Low49.2Very low105 Ų105141.8 Ų141.868%0.68271%0.708SS**  trans-83.465.6177.535.7-33.1000109.5M192M192-P199 HydrophobicContact CE-CG 4.01Å
200F42.1Very low48.7Very low188 Ų188149.2 Ų149.283%0.82573%0.727SS**  trans-102.1115.6164.2-120.1-90.1000106.8F198F198-F200 PolarHBondContact O-N 3.03Å
201S37Very low47.9Very low106 Ų106148.4 Ų148.474%0.74174%0.736SS**  trans84.2101.4-17982.60000116.1
202Q43.7Very low47.2Very low181 Ų181153.3 Ų153.385%0.84675%0.753SS**  -166.571.7128.3-101.8170.815.700109.1Y204Q202-Y204 PolarHBondContact O-N 3.47Å; Q202-Y204 VanDerWaalsContact O-N 3.08Å
203V37.3Very low46.1Very low142 Ų142158.8 Ų158.886%0.86177%0.768SS**  trans-68.788.2151.91760000106.4
204Y45Very low45.1Very low205 Ų205156.4 Ų156.480%0.80477%0.771SS**  trans-123.788.4159.4-100.9-93.9000105.8Q202Q202-Y204 PolarHBondContact O-N 3.47Å; Q202-Y204 VanDerWaalsContact O-N 3.08Å
205R37Very low43.7Very low218 Ų218160.8 Ų160.882%0.82378%0.783SS**  48.887.998.8-121.8-173.7-177.2150.50.5110.7
206D37.7Very low43Very low162 Ų162163.6 Ų163.687%0.86679%0.792SS**  trans-132.7132145.2-153.8-0.7000110.8
207H40.9Very low42.8Very low149 Ų149164.2 Ų164.269%0.6978%0.784SS**  trans-86.6132.1-174.9-87.2-29.1000109.4
208R43.1Very low42.9Very low220 Ų220171.2 Ų171.283%0.8381%0.805SS**  175124.7126.8-98161.5-175.8-1792.2113.2
209H46.9Very low42.8Very low172 Ų172173.7 Ų173.780%0.79681%0.809SS**  trans61.7125.1155.9-53-55.7000116.3
210R48Very low42.8Very low236 Ų236175.9 Ų175.989%0.89181%0.81SS**  cis-175.3141.336.9-158175.4-176.7165.80.3106.6
211P39Very low43.6Very low117 Ų117170.3 Ų170.376%0.7680%0.795SS**  trans-93.7134.1-174.534.1-28.8000111.8
212H47.8Very low44.9Very low174 Ų174170.3 Ų170.381%0.80679%0.786SS**  trans-155.3124153.5-113-76.8000110
213R41.6Very low46.2Very low228 Ų228170 Ų17086%0.8678%0.779SS**  trans24.9122.4152.9-78.7173.3162.6170.5-5.8116.7
214S41.1Very low48.1Very low109 Ų109169.6 Ų169.676%0.76277%0.766SS**  -170.112354.429.50000108.1
215R36Very low49.7Very low242 Ų242163.3 Ų163.391%0.91375%0.748SS**  31.395.7105.4-114.2-177.3175.8171-2.2114.4
216E41.4Very low51.9Low191 Ų191160.2 Ų160.289%0.89374%0.738SS**  trans145.4100.5150.2-86.6174.5163.700110.2
217S43.6Very low54.1Low86 Ų86156.6 Ų156.660%0.60172%0.721SS**  trans16329149.1670000115.6R219S217-R219 PolarHBondContact O-N 3.31Å
218E48.7Very low56Low192 Ų192155.3 Ų155.390%0.89772%0.716SS**THydrogen-bonded Turntrans-70.89.7176.5-75.2-175136.800115
219R49.4Very low58.2Low225 Ų225148.4 Ų148.485%0.84970%0.695SS**THydrogen-bonded Turntrans-112.5-8.3-179.9-136175.5-173.4177.11.2115.1S217S217-R219 PolarHBondContact O-N 3.31Å
220E52.3Low60.2Low151 Ų151144.2 Ų144.271%0.70668%0.678SS**THydrogen-bonded Turntrans-91.2-21.6178.6-78.9-168.914500113.9N222 Y223 F224E220-N222 VanDerWaalsContact C-N 3.35Å; E220-N222 PolarHBondContact O-N 3.43Å; E220-Y223 PolarHBondContact O-N 3.25Å; E220-F224 PolarHBondContact O-N 3.06Å
221S57.8Low62.1Low71 Ų71137.1 Ų137.150%0.49766%0.662SS.*Hα-helixtrans-64-34.5-17653.90000113.9
222N65.2Low64.5Low106 Ų106136 Ų13657%0.56765%0.649SS**Hα-helixtrans-71.8-36.5-179.7-72.1-27.3000112.5E220 F224 V225 Y226E220-N222 VanDerWaalsContact C-N 3.35Å; E220-N222 PolarHBondContact O-N 3.43Å; N222-F224 VanDerWaalsContact C-N 3.34Å; N222-F224 PolarHBondContact O-N 3.25Å; N222-V225 PolarHBondContact O-N 3.36Å; N222-Y226 HydrophobicContact CB-CE2 4.48Å; N222-Y226 WeakPolarHBondContact O-CD2 3.36Å; N222-Y226 WeakPolarHBondContact O-CE2 3.44Å; N222-Y226 PolarHBondContact O-N 3.03Å
223Y71.7Confident66.4Low174 Ų174132.8 Ų132.868%0.68264%0.637SS**Hα-helixtrans-67.4-36.1178.5-83.9-78.7000112.1E220 V225 Y226 V227E220-Y223 PolarHBondContact O-N 3.25Å; Y223-V225 VanDerWaalsContact C-N 3.31Å; Y223-V225 PolarHBondContact O-N 3.19Å; Y223-Y226 PolarHBondContact O-N 3.45Å; Y223-V227 VanDerWaalsContact O-CG2 3.29Å; Y223-V227 WeakPolarHBondContact O-CG2 3.28Å; Y223-V227 PolarHBondContact O-N 3.13Å
224F75.7Confident68.7Low133 Ų133126.3 Ų126.358%0.58362%0.618SS**Hα-helixtrans-60.6-39.7179.3-168.1-106.1000112.5E220 N222 V227 Q228E220-F224 PolarHBondContact O-N 3.06Å; N222-F224 VanDerWaalsContact C-N 3.34Å; N222-F224 PolarHBondContact O-N 3.25Å; F224-V227 PolarHBondContact O-N 3.13Å; F224-Q228 HydrophobicContact CE1-CG 4.34Å; F224-Q228 WeakPolarHBondContact O-CG 3.45Å; F224-Q228 PolarHBondContact O-N 2.72Å
225V78.5Confident71Confident73 Ų73126.8 Ų126.844%0.44261%0.611SS.*Hα-helixtrans-64.4-44.2175.5178.70000111.3N222 Y223 Q228 L229N222-V225 PolarHBondContact O-N 3.36Å; Y223-V225 VanDerWaalsContact C-N 3.31Å; Y223-V225 PolarHBondContact O-N 3.19Å; V225-Q228 PolarHBondContact O-N 3.35Å; V225-L229 HydrophobicContact CG1-CD1 4.39Å; V225-L229 WeakPolarHBondContact O-CG 3.5Å; V225-L229 PolarHBondContact O-N 3.23Å
226Y83.5Confident73.5Confident153 Ų153121.7 Ų121.760%0.660%0.596SS**Hα-helixtrans-64.6-41.3177.2-65.2-63.2000111.9N222 Y223 Q228 L229 I230N222-Y226 HydrophobicContact CB-CE2 4.48Å; N222-Y226 WeakPolarHBondContact O-CD2 3.36Å; N222-Y226 WeakPolarHBondContact O-CE2 3.44Å; N222-Y226 PolarHBondContact O-N 3.03Å; Y223-Y226 PolarHBondContact O-N 3.45Å; Y226-Q228 VanDerWaalsContact C-N 3.29Å; Y226-Q228 PolarHBondContact O-N 3.45Å; Y226-L229 PolarHBondContact O-N 3.19Å; Y226-I230 WeakPolarHBondContact O-CG1 3.48Å; Y226-I230 PolarHBondContact O-N 3.48Å; Y226-I230 VanDerWaalsContact O-N 3.11Å
227V84.8Confident75.7Confident86 Ų86113.4 Ų113.452%0.52156%0.562SS.*Hα-helixtrans-62.8-36.3177.4173.60000111.5Y223 F224 L229 I230 P231Y223-V227 VanDerWaalsContact O-CG2 3.29Å; Y223-V227 WeakPolarHBondContact O-CG2 3.28Å; Y223-V227 PolarHBondContact O-N 3.13Å; F224-V227 PolarHBondContact O-N 3.13Å; V227-L229 VanDerWaalsContact C-N 3.31Å; V227-L229 PolarHBondContact O-N 3.32Å; V227-I230 HydrophobicContact CG2-CD1 4.5Å; V227-I230 PolarHBondContact O-N 3.5Å; V227-P231 WeakPolarHBondContact O-CD 3.46Å
228Q80.6Confident77.8Confident122 Ų122114.6 Ų114.657%0.5756%0.561SS**Hα-helixtrans-67.7-28.2173.6-74.8-177.3-21.700113.6F224 V225 Y226F224-Q228 HydrophobicContact CE1-CG 4.34Å; F224-Q228 WeakPolarHBondContact O-CG 3.45Å; F224-Q228 PolarHBondContact O-N 2.72Å; V225-Q228 PolarHBondContact O-N 3.35Å; Y226-Q228 VanDerWaalsContact C-N 3.29Å; Y226-Q228 PolarHBondContact O-N 3.45Å
229L88.8Confident79.6Confident76 Ų76108.6 Ų108.640%0.39854%0.54SS..Hα-helixtrans-83.2-19.9177.4-65.7174.1000113.2V225 Y226 V227 L232 I233V225-L229 HydrophobicContact CG1-CD1 4.39Å; V225-L229 WeakPolarHBondContact O-CG 3.5Å; V225-L229 PolarHBondContact O-N 3.23Å; Y226-L229 PolarHBondContact O-N 3.19Å; V227-L229 VanDerWaalsContact C-N 3.31Å; V227-L229 PolarHBondContact O-N 3.32Å; L229-L232 PolarHBondContact O-N 3.18Å; L229-L232 VanDerWaalsContact O-N 3.09Å; L229-I233 HydrophobicContact CB-CD1 3.91Å; L229-I233 HydrophobicContact CB-CG1 4.42Å; L229-I233 VanDerWaalsContact O-CG1 3.31Å; L229-I233 WeakPolarHBondContact O-CG1 3.47Å; L229-I233 PolarHBondContact O-N 3.49Å
230I88.5Confident81.3Confident84 Ų84103.3 Ų103.343%0.43152%0.523SS..Hα-helixtrans-52.6-49.7-178.6-74171.8000112.4Y226 V227 L232 I233 I234Y226-I230 WeakPolarHBondContact O-CG1 3.48Å; Y226-I230 PolarHBondContact O-N 3.48Å; Y226-I230 VanDerWaalsContact O-N 3.11Å; V227-I230 HydrophobicContact CG2-CD1 4.5Å; V227-I230 PolarHBondContact O-N 3.5Å; I230-L232 VanDerWaalsContact C-N 3.29Å; I230-L232 PolarHBondContact O-N 2.96Å; I230-I233 PolarHBondContact O-N 3.46Å; I230-I234 HydrophobicContact CG2-CD1 3.49Å; I230-I234 VanDerWaalsContact CG2-CD1 3.49Å; I230-I234 HydrophobicContact CG2-CG1 4.16Å; I230-I234 WeakPolarHBondContact O-CB 3.44Å; I230-I234 VanDerWaalsContact O-CG1 3.24Å; I230-I234 WeakPolarHBondContact O-CG1 3.39Å; I230-I234 PolarHBondContact O-N 3.07Å
231P88.1Confident82.8Confident86 Ų86101.7 Ų101.756%0.55851%0.514SS*.Hα-helixtrans-60.8-36.6179.1-24.334.7000113.2V227 L235V227-P231 WeakPolarHBondContact O-CD 3.46Å; P231-L235 VanDerWaalsContact O-CB 3.3Å; P231-L235 WeakPolarHBondContact O-CB 2.97Å; P231-L235 PolarHBondContact O-N 3.4Å
232L88.8Confident84Confident95 Ų95101.8 Ų101.850%0.49752%0.515SS..Hα-helixtrans-73.7-39.9179.1-168.4146.1000111.6L229 I230 L235 F236L229-L232 PolarHBondContact O-N 3.18Å; L229-L232 VanDerWaalsContact O-N 3.09Å; I230-L232 VanDerWaalsContact C-N 3.29Å; I230-L232 PolarHBondContact O-N 2.96Å; L232-L235 PolarHBondContact O-N 3.02Å; L232-F236 VanDerWaalsContact O-CB 3.28Å; L232-F236 WeakPolarHBondContact O-CB 3.44Å; L232-F236 PolarHBondContact O-N 2.91Å
233I88.6Confident84.7Confident105 Ų105102.2 Ų102.254%0.53852%0.517SS..Hα-helixtrans-65.9-40.3174.3-67167.4000110.6L229 I230 G237L229-I233 HydrophobicContact CB-CD1 3.91Å; L229-I233 HydrophobicContact CB-CG1 4.42Å; L229-I233 VanDerWaalsContact O-CG1 3.31Å; L229-I233 WeakPolarHBondContact O-CG1 3.47Å; L229-I233 PolarHBondContact O-N 3.49Å; I230-I233 PolarHBondContact O-N 3.46Å; I233-G237 WeakPolarHBondContact O-CA 3.05Å; I233-G237 PolarHBondContact O-N 3.4Å
234I90.5Very high85.1Confident93 Ų9399.3 Ų99.348%0.47751%0.513SS..Hα-helixtrans-64.7-46.3174.5-70.1170.9000109.8I230 G237 L238I230-I234 HydrophobicContact CG2-CD1 3.49Å; I230-I234 VanDerWaalsContact CG2-CD1 3.49Å; I230-I234 HydrophobicContact CG2-CG1 4.16Å; I230-I234 WeakPolarHBondContact O-CB 3.44Å; I230-I234 VanDerWaalsContact O-CG1 3.24Å; I230-I234 WeakPolarHBondContact O-CG1 3.39Å; I230-I234 PolarHBondContact O-N 3.07Å; I234-G237 PolarHBondContact O-N 2.84Å; I234-L238 HydrophobicContact CG2-CD1 3.69Å; I234-L238 HydrophobicContact CG2-CG 4.09Å; I234-L238 VanDerWaalsContact O-CB 3.25Å; I234-L238 WeakPolarHBondContact O-CB 3.19Å; I234-L238 WeakPolarHBondContact O-CG 3.39Å; I234-L238 PolarHBondContact O-N 3.42Å
235L88.4Confident85Confident118 Ų118100.7 Ų100.762%0.61852%0.519SS*.Hα-helixtrans-63.8-45.4179.9-171.4147.9000111.9P231 L232 S239P231-L235 VanDerWaalsContact O-CB 3.3Å; P231-L235 WeakPolarHBondContact O-CB 2.97Å; P231-L235 PolarHBondContact O-N 3.4Å; L232-L235 PolarHBondContact O-N 3.02Å; L235-S239 WeakPolarHBondContact O-CB 3.37Å; L235-S239 PolarHBondContact O-N 3.1Å
236F87.6Confident85Confident136 Ų136102.1 Ų102.160%0.59653%0.527SS*.Hα-helixtrans-66.4-43.7176.2-172.5-97.7000111.6L232 S239 F240L232-F236 VanDerWaalsContact O-CB 3.28Å; L232-F236 WeakPolarHBondContact O-CB 3.44Å; L232-F236 PolarHBondContact O-N 2.91Å; F236-S239 PolarHBondContact O-N 3.13Å; F236-F240 VanDerWaalsContact O-CB 3.23Å; F236-F240 WeakPolarHBondContact O-CB 3.46Å; F236-F240 PolarHBondContact O-N 2.98Å
237G88.6Confident84.8Confident16 Ų16103.6 Ų103.617%0.16554%0.537CS..Hα-helixtrans-59.3-51.817600000111.3I233 I234 S239 F240 F241I233-G237 WeakPolarHBondContact O-CA 3.05Å; I233-G237 PolarHBondContact O-N 3.4Å; I234-G237 PolarHBondContact O-N 2.84Å; G237-S239 VanDerWaalsContact C-N 3.33Å; G237-S239 PolarHBondContact O-N 3.21Å; G237-F240 PolarHBondContact O-N 3.14Å; G237-F241 WeakPolarHBondContact O-CB 3.29Å; G237-F241 WeakPolarHBondContact O-CD2 3.48Å; G237-F241 WeakPolarHBondContact O-CG 3.33Å; G237-F241 PolarHBondContact O-N 3.27Å
238L87.8Confident84.8Confident112 Ų112103.3 Ų103.359%0.58653%0.532SS*.Hα-helixtrans-59.1-42.7177.5-72.2176.2000111.7I234 S242I234-L238 HydrophobicContact CG2-CD1 3.69Å; I234-L238 HydrophobicContact CG2-CG 4.09Å; I234-L238 VanDerWaalsContact O-CB 3.25Å; I234-L238 WeakPolarHBondContact O-CB 3.19Å; I234-L238 WeakPolarHBondContact O-CG 3.39Å; I234-L238 PolarHBondContact O-N 3.42Å; L238-S242 WeakPolarHBondContact O-CB 3.23Å; L238-S242 PolarHBondContact O-N 3.08Å; L238-S242 PolarHBondContact O-OG 3.35Å
239S86.1Confident85.3Confident65 Ų65101 Ų10146%0.45553%0.528SS..Hα-helixtrans-65.8-44.9176.2-172.30000112.2L235 F236 G237 S242 N243L235-S239 WeakPolarHBondContact O-CB 3.37Å; L235-S239 PolarHBondContact O-N 3.1Å; F236-S239 PolarHBondContact O-N 3.13Å; G237-S239 VanDerWaalsContact C-N 3.33Å; G237-S239 PolarHBondContact O-N 3.21Å; S239-S242 PolarHBondContact O-N 3.23Å; S239-N243 PolarHBondContact O-N 3.48Å; S239-N243 VanDerWaalsContact O-N 3.11Å; S239-N243 PolarHBondContact O-ND2 3.46Å
240F86.3Confident85.4Confident115 Ų115102.8 Ų102.850%0.50453%0.531SS..Hα-helixtrans-65.6-47.5-179.7-171.8-93.9000111.5F236 G237 S242 N243 L244F236-F240 VanDerWaalsContact O-CB 3.23Å; F236-F240 WeakPolarHBondContact O-CB 3.46Å; F236-F240 PolarHBondContact O-N 2.98Å; G237-F240 PolarHBondContact O-N 3.14Å; F240-S242 VanDerWaalsContact C-N 3.34Å; F240-S242 PolarHBondContact O-N 2.88Å; F240-N243 PolarHBondContact O-N 3.33Å; F240-L244 PolarHBondContact O-N 3.24Å
241F83.1Confident85.6Confident116 Ų11699.7 Ų99.751%0.50951%0.514SS..Hα-helixtrans-64.8-38.4176.1-74.1-63.5000111.5G237 N243 L244 F245G237-F241 WeakPolarHBondContact O-CB 3.29Å; G237-F241 WeakPolarHBondContact O-CD2 3.48Å; G237-F241 WeakPolarHBondContact O-CG 3.33Å; G237-F241 PolarHBondContact O-N 3.27Å; F241-N243 VanDerWaalsContact C-N 3.31Å; F241-N243 PolarHBondContact O-N 3.02Å; F241-L244 PolarHBondContact O-N 2.79Å; F241-L244 VanDerWaalsContact O-N 3.11Å; F241-F245 HydrophobicContact CB-CE2 4.41Å; F241-F245 HydrophobicContact CD1-CE2 4.24Å; F241-F245 WeakPolarHBondContact O-CD2 3.47Å; F241-F245 PolarHBondContact O-N 3.4Å
242S82.9Confident86Confident73 Ų7396.7 Ų96.751%0.5150%0.495SS..Hα-helixtrans-57.5-45.7175-63.90000111.2L238 S239 F240 L244 F245 V246L238-S242 WeakPolarHBondContact O-CB 3.23Å; L238-S242 PolarHBondContact O-N 3.08Å; L238-S242 PolarHBondContact O-OG 3.35Å; S239-S242 PolarHBondContact O-N 3.23Å; F240-S242 VanDerWaalsContact C-N 3.34Å; F240-S242 PolarHBondContact O-N 2.88Å; S242-L244 VanDerWaalsContact C-N 3.32Å; S242-L244 PolarHBondContact O-N 2.99Å; S242-F245 PolarHBondContact O-N 2.97Å; S242-V246 WeakPolarHBondContact O-CG2 3.35Å; S242-V246 PolarHBondContact O-N 3.4Å
243N79.1Confident86.3Confident115 Ų11593.8 Ų93.862%0.61548%0.48SS*.Hα-helixtrans-67.1-31.2177.3-73.7-69.3000113.3S239 F240 F241 F245S239-N243 PolarHBondContact O-N 3.48Å; S239-N243 VanDerWaalsContact O-N 3.11Å; S239-N243 PolarHBondContact O-ND2 3.46Å; F240-N243 PolarHBondContact O-N 3.33Å; F241-N243 VanDerWaalsContact C-N 3.31Å; F241-N243 PolarHBondContact O-N 3.02Å; N243-F245 VanDerWaalsContact C-N 3.34Å; N243-F245 PolarHBondContact O-N 3.35Å
244L80Confident86.5Confident114 Ų11493.2 Ų93.260%0.59748%0.481SS*.Hα-helixtrans-70.5-29.7-179.2-161.173.7000112.9F240 F241 S242F240-L244 PolarHBondContact O-N 3.24Å; F241-L244 PolarHBondContact O-N 2.79Å; F241-L244 VanDerWaalsContact O-N 3.11Å; S242-L244 VanDerWaalsContact C-N 3.32Å; S242-L244 PolarHBondContact O-N 2.99Å
245F75.1Confident86.7Confident162 Ų16295.7 Ų95.771%0.71149%0.489SS*.Hα-helixtrans-95.6-4.9180-67.9-71000114.2F241 S242 N243 K247F241-F245 HydrophobicContact CB-CE2 4.41Å; F241-F245 HydrophobicContact CD1-CE2 4.24Å; F241-F245 WeakPolarHBondContact O-CD2 3.47Å; F241-F245 PolarHBondContact O-N 3.4Å; S242-F245 PolarHBondContact O-N 2.97Å; N243-F245 VanDerWaalsContact C-N 3.34Å; N243-F245 PolarHBondContact O-N 3.35Å; F245-K247 PolarHBondContact O-N 3.05Å; F245-K247 VanDerWaalsContact O-N 3.16Å
246V78.7Confident86.9Confident102 Ų10292.2 Ų92.262%0.61847%0.474SS*.  trans-71.3112.2175.1170.60000108.8S242 D248S242-V246 WeakPolarHBondContact O-CG2 3.35Å; S242-V246 PolarHBondContact O-N 3.4Å; V246-D248 PolarHBondContact O-N 3.37Å
247K78.8Confident87.2Confident185 Ų18593.6 Ų93.680%0.80449%0.488SS*.PPolyproline II helixtrans-60.8135.4170.9-68.5-176.7178.4-178.40109.1F245F245-K247 PolarHBondContact O-N 3.05Å; F245-K247 VanDerWaalsContact O-N 3.16Å
248D84.3Confident87.4Confident79 Ų7997.4 Ų97.442%0.42250%0.5SS..PPolyproline II helixtrans-53.4137.6173.5-74.3-40.3000111V246 K258 K275V246-D248 PolarHBondContact O-N 3.37Å; D248-K258 IonicContact OD1-NZ 3.76Å; D248-K258 PolarHBondContact OD1-NZ 3.44Å; D248-K258 WeakPolarHBondContact OD2-CE 3.4Å; D248-K258 IonicContact OD2-NZ 2.97Å; D248-K258 PolarHBondContact OD2-NZ 3.35Å; D248-K275 IonicContact OD2-NZ 3.77Å; D248-K275 PolarHBondContact OD2-NZ 2.98Å
249P90.1Very high87.7Confident75 Ų7592.9 Ų92.949%0.48748%0.475SS..PPolyproline II helixtrans-64.3152.417428-33.9000110.8F251 Y259P249-F251 VanDerWaalsContact C-N 3.32Å; P249-Y259 WeakPolarHBondContact CD-OH 2.93Å; P249-Y259 VanDerWaalsContact O-CE1 3.25Å; P249-Y259 WeakPolarHBondContact O-CE1 3.44Å; P249-Y259 PolarHBondContact O-OH 2.73Å
250Y91.8Very high88.1Confident113 Ų11394.8 Ų94.844%0.44347%0.473SS..SBendtrans-74.5-23.2178.5-67-74.8000113.1F282Y250-F282 HydrophobicContact CD1-CB 4.26Å; Y250-F282 HydrophobicContact CD1-CD2 4.14Å; Y250-F282 HydrophobicContact CD2-CD2 4.35Å; Y250-F282 HydrophobicContact CE1-CD2 4.4Å; Y250-F282 HydrophobicContact CG-CD2 4.12Å
251F94Very high88.4Confident19 Ų1993 Ų938%0.08347%0.467CS..EExtended strand (participates in β ladder)trans-136.2169.5-179.872.6-87.3000111.7P249 L253 Y272 F273 V274 L289 Q292 V293 E296P249-F251 VanDerWaalsContact C-N 3.32Å; F251-L253 HydrophobicContact CE2-CG 4.46Å; F251-Y272 HydrophobicContact CB-CD2 3.98Å; F251-F273 CarbonylContact C-O 3.1Å; F251-F273 VanDerWaalsContact CA-O 3.3Å; F251-F273 WeakPolarHBondContact CA-O 3.11Å; F251-V274 HydrophobicContact CB-CG1 4.22Å; F251-L289 HydrophobicContact CD1-CD1 3.77Å; F251-L289 HydrophobicContact CD1-CG 4.39Å; F251-L289 HydrophobicContact CE1-CD1 4.18Å; F251-Q292 HydrophobicContact CE1-CB 4.43Å; F251-V293 HydrophobicContact CB-CG2 4.42Å; F251-V293 HydrophobicContact CD1-CG2 3.84Å; F251-V293 HydrophobicContact CD2-CB 4.49Å; F251-V293 HydrophobicContact CD2-CG2 3.58Å; F251-V293 HydrophobicContact CE1-CG2 3.9Å; F251-V293 HydrophobicContact CE2-CB 4.22Å; F251-V293 HydrophobicContact CE2-CG2 3.65Å; F251-V293 HydrophobicContact CG-CG2 3.67Å; F251-V293 HydrophobicContact CZ-CB 4.42Å; F251-V293 HydrophobicContact CZ-CG2 3.81Å; F251-E296 VanDerWaalsContact CE2-OE2 3.3Å; F251-E296 WeakPolarHBondContact CE2-OE2 3.29Å; F251-E296 WeakPolarHBondContact CZ-OE2 3.44Å
252S95Very high89Confident23 Ų2392.8 Ų92.816%0.16147%0.468CS..EExtended strand (participates in β ladder)trans-142.2140.1169.8171.60000109.2T254 F273S252-T254 WeakPolarHBondContact CB-O 3.43Å; S252-T254 PolarHBondContact O-N 3.11Å; S252-T254 PolarHBondContact OG-N 3.17Å; S252-T254 PolarHBondContact OG-O 2.99Å; S252-T254 PolarHBondContact OG-OG1 3.11Å; S252-F273 PolarHBondContact N-O 3.47Å; S252-F273 PolarHBondContact O-N 3.16Å
253L94.6Very high89.6Confident34 Ų3493.4 Ų93.418%0.17846%0.459CS..SBendtrans-75.6-9.6171.3-66175.4000112.9F251 V270 V293 E296 Y297 N300F251-L253 HydrophobicContact CE2-CG 4.46Å; L253-V270 HydrophobicContact CD2-CG1 4.49Å; L253-V293 HydrophobicContact CD2-CG1 3.95Å; L253-E296 HydrophobicContact CD1-CB 4.01Å; L253-E296 HydrophobicContact CD1-CG 3.71Å; L253-Y297 HydrophobicContact CD2-CD2 4.37Å; L253-N300 VanDerWaalsContact CD1-ND2 3.35Å; L253-N300 WeakPolarHBondContact CD1-ND2 3.33Å
254T94.2Very high90.4Very high92 Ų9292.7 Ų92.756%0.56445%0.452SS*.SBendtrans-120.3135.6178.860.20000111.1S252 S256 F273S252-T254 WeakPolarHBondContact CB-O 3.43Å; S252-T254 PolarHBondContact O-N 3.11Å; S252-T254 PolarHBondContact OG-N 3.17Å; S252-T254 PolarHBondContact OG-O 2.99Å; S252-T254 PolarHBondContact OG-OG1 3.11Å; T254-S256 PolarHBondContact O-N 3.16Å; T254-F273 VanDerWaalsContact C-CD2 3.5Å
255K94.4Very high91.1Very high146 Ų14687.5 Ų87.564%0.63543%0.425SS*.  trans-66.5130.3177-169.2174.6-177.5172.30109.9F273K255-F273 HydrophobicContact CB-CD1 3.96Å; K255-F273 HydrophobicContact CB-CD2 4.15Å; K255-F273 HydrophobicContact CB-CE1 3.79Å; K255-F273 HydrophobicContact CB-CE2 3.98Å; K255-F273 HydrophobicContact CB-CG 4.15Å; K255-F273 HydrophobicContact CB-CZ 3.8Å; K255-F273 HydrophobicContact CD-CD1 4.45Å; K255-F273 HydrophobicContact CD-CE1 4.01Å; K255-F273 HydrophobicContact CG-CD1 3.98Å; K255-F273 HydrophobicContact CG-CE1 3.95Å; K255-F273 HydrophobicContact CG-CZ 4.46Å
256S93.5Very high91.8Very high45 Ų4582.6 Ų82.632%0.31542%0.42SS..  trans-140.7170.217567.10000110.4T254 K258 Y259 Y260T254-S256 PolarHBondContact O-N 3.16Å; S256-K258 PolarHBondContact O-N 2.94Å; S256-K258 VanDerWaalsContact O-N 3.16Å; S256-Y259 PolarHBondContact N-O 2.57Å; S256-Y259 CarbonylContact O-C 3.56Å; S256-Y259 PolarHBondContact O-N 3.37Å; S256-Y259 WeakPolarHBondContact OG-CD2 3.36Å; S256-Y259 PolarHBondContact OG-N 3.34Å; S256-Y259 VanDerWaalsContact OG-N 3.08Å; S256-Y260 PolarHBondContact O-N 3.4Å
257N93.5Very high92.3Very high165 Ų16582.9 Ų82.988%0.88242%0.422SS*.SBendtrans-59.8-27.5177.4-66.3-21.3000113Y260N257-Y260 WeakPolarHBondContact O-CD1 3.31Å
258K91.9Very high92.9Very high96 Ų9675.8 Ų75.842%0.41739%0.392SS..SBendtrans-86.2-37177.2-169.8175.1-173.51750112.1D248 S256 K275D248-K258 IonicContact OD1-NZ 3.76Å; D248-K258 PolarHBondContact OD1-NZ 3.44Å; D248-K258 WeakPolarHBondContact OD2-CE 3.4Å; D248-K258 IonicContact OD2-NZ 2.97Å; D248-K258 PolarHBondContact OD2-NZ 3.35Å; S256-K258 PolarHBondContact O-N 2.94Å; S256-K258 VanDerWaalsContact O-N 3.16Å; K258-K275 HydrophobicContact CG-CD 4.5Å; K258-K275 HydrophobicContact CG-CG 4.36Å
259Y94.3Very high93.3Very high17 Ų1779.4 Ų79.47%0.06740%0.404CS..SBendtrans-115.485.6-179.5-58.8-90.8000109.6P249 S256 F273 V274 K275P249-Y259 WeakPolarHBondContact CD-OH 2.93Å; P249-Y259 VanDerWaalsContact O-CE1 3.25Å; P249-Y259 WeakPolarHBondContact O-CE1 3.44Å; P249-Y259 PolarHBondContact O-OH 2.73Å; S256-Y259 PolarHBondContact N-O 2.57Å; S256-Y259 CarbonylContact O-C 3.56Å; S256-Y259 PolarHBondContact O-N 3.37Å; S256-Y259 WeakPolarHBondContact OG-CD2 3.36Å; S256-Y259 PolarHBondContact OG-N 3.34Å; S256-Y259 VanDerWaalsContact OG-N 3.08Å; Y259-F273 WeakPolarHBondContact O-CB 3.39Å; Y259-V274 WeakPolarHBondContact CA-O 3.43Å; Y259-K275 HydrophobicContact CD1-CG 3.89Å; Y259-K275 HydrophobicContact CE1-CD 4.33Å; Y259-K275 HydrophobicContact CE1-CG 3.67Å; Y259-K275 VanDerWaalsContact OH-CE 3.24Å; Y259-K275 WeakPolarHBondContact OH-CE 3.28Å
260Y94Very high93.5Very high104 Ų10476 Ų7641%0.40838%0.381SS..  trans-119.5-13.9-17563.9-93.3000114.2S256 N257 E262 V274 K276S256-Y260 PolarHBondContact O-N 3.4Å; N257-Y260 WeakPolarHBondContact O-CD1 3.31Å; Y260-E262 PolarHBondContact O-N 3.42Å; Y260-V274 PolarHBondContact N-O 2.76Å; Y260-K276 HydrophobicContact CE1-CB 4.48Å; Y260-K276 WeakPolarHBondContact OH-CB 3.1Å; Y260-K276 WeakPolarHBondContact OH-CD 3.29Å
261M94Very high93.6Very high79 Ų7973 Ų7339%0.38938%0.376SS..EExtended strand (participates in β ladder)trans-82114177-72.7-170.263.500109.6F273 V274 K276M261-F273 CarbonylContact O-C 3.52Å; M261-F273 VanDerWaalsContact O-CA 3.27Å; M261-F273 WeakPolarHBondContact O-CA 3.37Å; M261-V274 HydrophobicContact CB-CG2 3.89Å; M261-V274 PolarHBondContact N-O 3.23Å; M261-V274 PolarHBondContact O-N 2.73Å; M261-K276 HydrophobicContact SD-CB 4.29Å; M261-K276 HydrophobicContact SD-CG 4.16Å
262E95.5Very high93.7Very high111 Ų11172 Ų7252%0.51937%0.372SS..EExtended strand (participates in β ladder)trans-80.7137.7-178.5-172174.917000111.7Y260 H264 F273Y260-E262 PolarHBondContact O-N 3.42Å; E262-H264 IonicContact OE1-CE1 2.63Å; E262-H264 PolarHBondContact OE1-CE1 2.94Å; E262-H264 VanDerWaalsContact OE1-CE1 3.27Å; E262-H264 IonicContact OE1-NE2 2.74Å; E262-F273 HydrophobicContact CB-CD1 4.03Å; E262-F273 HydrophobicContact CB-CE1 3.84Å; E262-F273 HydrophobicContact CG-CD1 4.42Å; E262-F273 HydrophobicContact CG-CE1 3.91Å; E262-F273 HydrophobicContact CG-CZ 4.45Å
263R94.6Very high93.8Very high85 Ų8572.1 Ų72.132%0.32137%0.369SS..EExtended strand (participates in β ladder)trans-138161.8174.4-64.3-175.268.895.62.2108.9P271 Y272 V274R263-P271 WeakPolarHBondContact O-CA 3.18Å; R263-Y272 HydrophobicContact CB-CD1 4.14Å; R263-Y272 HydrophobicContact CB-CD2 4.12Å; R263-Y272 HydrophobicContact CB-CE1 3.65Å; R263-Y272 HydrophobicContact CB-CE2 3.6Å; R263-Y272 HydrophobicContact CB-CG 4.37Å; R263-Y272 HydrophobicContact CG-CE2 4.26Å; R263-Y272 PolarHBondContact N-O 2.64Å; R263-Y272 PolarHBondContact NE-OH 2.77Å; R263-Y272 VanDerWaalsContact NE-OH 3.16Å; R263-Y272 WeakPolarHBondContact O-CD1 3.42Å; R263-Y272 PolarHBondContact O-N 3.24Å; R263-V274 HydrophobicContact CG-CG2 4.19Å
264H95.7Very high93.9Very high101 Ų10170.6 Ų70.647%0.46836%0.361SS..EExtended strand (participates in β ladder)trans-126.2141.1179.5-70.277.9000109.9E262 V270E262-H264 IonicContact OE1-CE1 2.63Å; E262-H264 PolarHBondContact OE1-CE1 2.94Å; E262-H264 VanDerWaalsContact OE1-CE1 3.27Å; E262-H264 IonicContact OE1-NE2 2.74Å; H264-V270 WeakPolarHBondContact CA-O 3.03Å
265T94.7Very high93.9Very high4 Ų467.9 Ų67.93%0.02534%0.341CS..  trans-71.1150.717665.60000111.3K269 V270 Y272 E290 V293 E294T265-K269 VanDerWaalsContact O-CA 3.24Å; T265-K269 WeakPolarHBondContact O-CA 3.31Å; T265-K269 PolarHBondContact O-N 3.36Å; T265-K269 PolarHBondContact OG1-N 2.93Å; T265-V270 HydrophobicContact CG2-CB 4.04Å; T265-V270 PolarHBondContact N-O 3.24Å; T265-V270 PolarHBondContact OG1-N 3.43Å; T265-Y272 HydrophobicContact CG2-CD1 3.88Å; T265-Y272 HydrophobicContact CG2-CE1 3.89Å; T265-E290 HydrophobicContact CG2-CB 4.1Å; T265-E290 HydrophobicContact CG2-CG 4.19Å; T265-V293 HydrophobicContact CG2-CB 4.08Å; T265-V293 HydrophobicContact CG2-CG1 3.68Å; T265-E294 WeakPolarHBondContact CB-OE1 3.17Å; T265-E294 HydrophobicContact CG2-CG 3.82Å; T265-E294 PolarHBondContact OG1-OE1 3.41Å
266G91.2Very high93.8Very high60 Ų6068.3 Ų68.362%0.61934%0.344SS*.THydrogen-bonded Turntrans-66.2-40.9-178.600000114.2E290G266-E290 PolarHBondContact N-OE2 3.31Å
267T89.3Confident93.7Very high108 Ų10868.9 Ų68.966%0.66335%0.345SS*.THydrogen-bonded Turntrans-80.2-60.5-171-46.10000112E294T267-E294 WeakPolarHBondContact CB-OE1 3.09Å
268H90.2Very high93.6Very high36 Ų3661.7 Ų61.717%0.16731%0.306CS..THydrogen-bonded Turntrans-105.13.5-172.7-60.199.4000114.1V270 E294 R341 T348H268-V270 HydrophobicContact CB-CG2 3.94Å; H268-V270 PolarHBondContact O-N 3.02Å; H268-E294 IonicContact CE1-OE2 2.86Å; H268-E294 IonicContact CG-OE1 2.72Å; H268-E294 IonicContact CG-OE2 3.97Å; H268-E294 PolarHBondContact N-OE1 3.02Å; H268-E294 IonicContact ND1-OE1 3.05Å; H268-E294 PolarHBondContact ND1-OE1 3.12Å; H268-E294 IonicContact ND1-OE2 2.81Å; H268-E294 PolarHBondContact ND1-OE2 3.48Å; H268-R341 PolarHBondContact O-NH2 3.27Å; H268-T348 PolarHBondContact CD2-OG1 3.47Å; H268-T348 PolarHBondContact NE2-OG1 3.43Å
269K92.9Very high93.5Very high155 Ų15564.7 Ų64.767%0.67432%0.321SS*.  trans51.642-176.8-57.8-178.8-178.2176.40112.3T265T265-K269 VanDerWaalsContact O-CA 3.24Å; T265-K269 WeakPolarHBondContact O-CA 3.31Å; T265-K269 PolarHBondContact O-N 3.36Å; T265-K269 PolarHBondContact OG1-N 2.93Å
270V93.8Very high93.2Very high2 Ų271.7 Ų71.71%0.01236%0.355CS..  trans-74.7126.3177.5173.30000108.9L253 H264 T265 H268 V293 E294 Y297L253-V270 HydrophobicContact CD2-CG1 4.49Å; H264-V270 WeakPolarHBondContact CA-O 3.03Å; T265-V270 HydrophobicContact CG2-CB 4.04Å; T265-V270 PolarHBondContact N-O 3.24Å; T265-V270 PolarHBondContact OG1-N 3.43Å; H268-V270 HydrophobicContact CB-CG2 3.94Å; H268-V270 PolarHBondContact O-N 3.02Å; V270-V293 HydrophobicContact CG1-CG1 4.24Å; V270-E294 HydrophobicContact CG2-CG 4.32Å; V270-Y297 HydrophobicContact CB-CD1 4.44Å; V270-Y297 HydrophobicContact CB-CG 4.4Å; V270-Y297 HydrophobicContact CG1-CD1 3.88Å; V270-Y297 HydrophobicContact CG1-CD2 3.48Å; V270-Y297 VanDerWaalsContact CG1-CD2 3.48Å; V270-Y297 HydrophobicContact CG1-CE1 4.36Å; V270-Y297 HydrophobicContact CG1-CE2 4Å; V270-Y297 HydrophobicContact CG1-CG 3.4Å; V270-Y297 HydrophobicContact CG2-CD1 3.62Å; V270-Y297 HydrophobicContact CG2-CE1 3.91Å; V270-Y297 HydrophobicContact CG2-CG 4.04Å
271P95.2Very high92.8Very high50 Ų5070.5 Ų70.533%0.32536%0.356SS..EExtended strand (participates in β ladder)trans-73.4132.6176.329.5-33.6000110.9R263R263-P271 WeakPolarHBondContact O-CA 3.18Å
272Y96.1Very high92.6Very high0 Ų068.5 Ų68.50%035%0.345CS..EExtended strand (participates in β ladder)trans-139155.6173.167.2-83.8000110.7F251 R263 T265 V274 E290 V293F251-Y272 HydrophobicContact CB-CD2 3.98Å; R263-Y272 HydrophobicContact CB-CD1 4.14Å; R263-Y272 HydrophobicContact CB-CD2 4.12Å; R263-Y272 HydrophobicContact CB-CE1 3.65Å; R263-Y272 HydrophobicContact CB-CE2 3.6Å; R263-Y272 HydrophobicContact CB-CG 4.37Å; R263-Y272 HydrophobicContact CG-CE2 4.26Å; R263-Y272 PolarHBondContact N-O 2.64Å; R263-Y272 PolarHBondContact NE-OH 2.77Å; R263-Y272 VanDerWaalsContact NE-OH 3.16Å; R263-Y272 WeakPolarHBondContact O-CD1 3.42Å; R263-Y272 PolarHBondContact O-N 3.24Å; T265-Y272 HydrophobicContact CG2-CD1 3.88Å; T265-Y272 HydrophobicContact CG2-CE1 3.89Å; Y272-V274 HydrophobicContact CD2-CG1 3.79Å; Y272-V274 HydrophobicContact CE2-CG1 3.66Å; Y272-E290 HydrophobicContact CE1-CG 4.39Å; Y272-E290 PolarHBondContact OH-OE1 2.84Å; Y272-V293 HydrophobicContact CD1-CG1 3.85Å; Y272-V293 HydrophobicContact CD1-CG2 4.36Å; Y272-V293 HydrophobicContact CD2-CG2 4.17Å; Y272-V293 HydrophobicContact CG-CG1 3.88Å; Y272-V293 HydrophobicContact CG-CG2 4.04Å
273F97Very high92.2Very high25 Ų2569.4 Ų69.411%0.1136%0.363CS..EExtended strand (participates in β ladder)trans-115.7134.6-175.1-56.1-86.6000110.9F251 S252 T254 K255 Y259 M261 E262F251-F273 CarbonylContact C-O 3.1Å; F251-F273 VanDerWaalsContact CA-O 3.3Å; F251-F273 WeakPolarHBondContact CA-O 3.11Å; S252-F273 PolarHBondContact N-O 3.47Å; S252-F273 PolarHBondContact O-N 3.16Å; T254-F273 VanDerWaalsContact C-CD2 3.5Å; K255-F273 HydrophobicContact CB-CD1 3.96Å; K255-F273 HydrophobicContact CB-CD2 4.15Å; K255-F273 HydrophobicContact CB-CE1 3.79Å; K255-F273 HydrophobicContact CB-CE2 3.98Å; K255-F273 HydrophobicContact CB-CG 4.15Å; K255-F273 HydrophobicContact CB-CZ 3.8Å; K255-F273 HydrophobicContact CD-CD1 4.45Å; K255-F273 HydrophobicContact CD-CE1 4.01Å; K255-F273 HydrophobicContact CG-CD1 3.98Å; K255-F273 HydrophobicContact CG-CE1 3.95Å; K255-F273 HydrophobicContact CG-CZ 4.46Å; Y259-F273 WeakPolarHBondContact O-CB 3.39Å; M261-F273 CarbonylContact O-C 3.52Å; M261-F273 VanDerWaalsContact O-CA 3.27Å; M261-F273 WeakPolarHBondContact O-CA 3.37Å; E262-F273 HydrophobicContact CB-CD1 4.03Å; E262-F273 HydrophobicContact CB-CE1 3.84Å; E262-F273 HydrophobicContact CG-CD1 4.42Å; E262-F273 HydrophobicContact CG-CE1 3.91Å; E262-F273 HydrophobicContact CG-CZ 4.45Å
274V95.7Very high91.9Very high1 Ų167.5 Ų67.51%0.00637%0.37CS..EExtended strand (participates in β ladder)trans-120.2166.1178.6-59.20000111.2F251 Y259 Y260 M261 R263 Y272 F278F251-V274 HydrophobicContact CB-CG1 4.22Å; Y259-V274 WeakPolarHBondContact CA-O 3.43Å; Y260-V274 PolarHBondContact N-O 2.76Å; M261-V274 HydrophobicContact CB-CG2 3.89Å; M261-V274 PolarHBondContact N-O 3.23Å; M261-V274 PolarHBondContact O-N 2.73Å; R263-V274 HydrophobicContact CG-CG2 4.19Å; Y272-V274 HydrophobicContact CD2-CG1 3.79Å; Y272-V274 HydrophobicContact CE2-CG1 3.66Å; V274-F278 HydrophobicContact CB-CB 3.8Å; V274-F278 HydrophobicContact CB-CD1 4.41Å; V274-F278 HydrophobicContact CB-CD2 3.79Å; V274-F278 HydrophobicContact CB-CG 3.73Å; V274-F278 HydrophobicContact CG1-CD1 4.44Å; V274-F278 HydrophobicContact CG1-CD2 3.74Å; V274-F278 HydrophobicContact CG1-CE2 3.99Å; V274-F278 HydrophobicContact CG1-CG 4Å; V274-F278 HydrophobicContact CG1-CZ 4.45Å; V274-F278 HydrophobicContact CG2-CB 3.76Å; V274-F278 HydrophobicContact CG2-CD1 4.17Å; V274-F278 HydrophobicContact CG2-CD2 4.41Å; V274-F278 HydrophobicContact CG2-CG 3.85Å
275K94.1Very high91.7Very high35 Ų3567.4 Ų67.415%0.15237%0.373CS..  trans-72.5159.6172.3-58.1-179.6-174.2179.70110.4D248 K258 Y259 T277 F278D248-K275 IonicContact OD2-NZ 3.77Å; D248-K275 PolarHBondContact OD2-NZ 2.98Å; K258-K275 HydrophobicContact CG-CD 4.5Å; K258-K275 HydrophobicContact CG-CG 4.36Å; Y259-K275 HydrophobicContact CD1-CG 3.89Å; Y259-K275 HydrophobicContact CE1-CD 4.33Å; Y259-K275 HydrophobicContact CE1-CG 3.67Å; Y259-K275 VanDerWaalsContact OH-CE 3.24Å; Y259-K275 WeakPolarHBondContact OH-CE 3.28Å; K275-T277 PolarHBondContact O-N 3.34Å; K275-F278 WeakPolarHBondContact O-CB 3.22Å; K275-F278 PolarHBondContact O-N 3.26Å; K275-F278 VanDerWaalsContact O-N 3.1Å
276K92.6Very high91.6Very high156 Ų15670 Ų7068%0.67839%0.386SS*.THydrogen-bonded Turntrans-59.1-34.5173-163.7-174.2-178.8175.50113.3Y260 M261 F278Y260-K276 HydrophobicContact CE1-CB 4.48Å; Y260-K276 WeakPolarHBondContact OH-CB 3.1Å; Y260-K276 WeakPolarHBondContact OH-CD 3.29Å; M261-K276 HydrophobicContact SD-CB 4.29Å; M261-K276 HydrophobicContact SD-CG 4.16Å; K276-F278 PolarHBondContact O-N 3.24Å
277T91.6Very high91.7Very high57 Ų5772.9 Ų72.935%0.3539%0.386SS..THydrogen-bonded Turntrans-83.87.7-179.952.60000113.1K275 E279 Q280 D281K275-T277 PolarHBondContact O-N 3.34Å; T277-E279 VanDerWaalsContact C-N 3.29Å; T277-E279 PolarHBondContact O-N 3.42Å; T277-Q280 WeakPolarHBondContact O-CA 3.42Å; T277-Q280 WeakPolarHBondContact O-CB 3.26Å; T277-Q280 PolarHBondContact O-N 3.32Å; T277-D281 VanDerWaalsContact CB-OD2 3.3Å; T277-D281 WeakPolarHBondContact CB-OD2 3.45Å; T277-D281 VanDerWaalsContact O-CG 3.3Å; T277-D281 PolarHBondContact O-N 3.26Å; T277-D281 PolarHBondContact OG1-OD2 3.08Å
278F92Very high91.9Very high13 Ų1373.2 Ų73.26%0.05738%0.38CS..Hα-helixtrans-53.7-42.2-174.6174.8-98.1000113.5V274 K275 K276 Q280 D281 F282 I286 L289V274-F278 HydrophobicContact CB-CB 3.8Å; V274-F278 HydrophobicContact CB-CD1 4.41Å; V274-F278 HydrophobicContact CB-CD2 3.79Å; V274-F278 HydrophobicContact CB-CG 3.73Å; V274-F278 HydrophobicContact CG1-CD1 4.44Å; V274-F278 HydrophobicContact CG1-CD2 3.74Å; V274-F278 HydrophobicContact CG1-CE2 3.99Å; V274-F278 HydrophobicContact CG1-CG 4Å; V274-F278 HydrophobicContact CG1-CZ 4.45Å; V274-F278 HydrophobicContact CG2-CB 3.76Å; V274-F278 HydrophobicContact CG2-CD1 4.17Å; V274-F278 HydrophobicContact CG2-CD2 4.41Å; V274-F278 HydrophobicContact CG2-CG 3.85Å; K275-F278 WeakPolarHBondContact O-CB 3.22Å; K275-F278 PolarHBondContact O-N 3.26Å; K275-F278 VanDerWaalsContact O-N 3.1Å; K276-F278 PolarHBondContact O-N 3.24Å; F278-Q280 PolarHBondContact O-N 3.04Å; F278-D281 PolarHBondContact O-N 2.85Å; F278-F282 HydrophobicContact CD2-CB 4.07Å; F278-F282 HydrophobicContact CE1-CB 4.48Å; F278-F282 HydrophobicContact CE1-CD1 4.26Å; F278-F282 HydrophobicContact CE2-CB 3.72Å; F278-F282 HydrophobicContact CE2-CD1 4.15Å; F278-F282 HydrophobicContact CE2-CD2 4.38Å; F278-F282 AromaticContact CE2-CG 3.83Å; F278-F282 HydrophobicContact CE2-CG 3.83Å; F278-F282 HydrophobicContact CZ-CB 3.95Å; F278-F282 AromaticContact CZ-CD1 3.63Å; F278-F282 HydrophobicContact CZ-CD1 3.63Å; F278-F282 HydrophobicContact CZ-CE1 4.29Å; F278-F282 AromaticContact CZ-CG 3.81Å; F278-F282 HydrophobicContact CZ-CG 3.81Å; F278-F282 VanDerWaalsContact O-CB 3.27Å; F278-F282 WeakPolarHBondContact O-CB 3.46Å; F278-F282 PolarHBondContact O-N 3.24Å; F278-I286 HydrophobicContact CE1-CD1 4.34Å; F278-I286 HydrophobicContact CZ-CD1 4.11Å; F278-L289 HydrophobicContact CE2-CD2 3.52Å; F278-L289 HydrophobicContact CZ-CD2 3.37Å
279E88.7Confident92.1Very high159 Ų15971.7 Ų71.774%0.74337%0.373SS*.Hα-helixtrans-66.3-23.7178.1-65.6-179.6178.200113.5T277T277-E279 VanDerWaalsContact C-N 3.29Å; T277-E279 PolarHBondContact O-N 3.42Å
280Q88.8Confident92.2Very high165 Ų16565.8 Ų65.877%0.77135%0.348SS*.Hα-helixtrans-88.8-36.4176.7-62.3174.4-1.900111.4T277 F278T277-Q280 WeakPolarHBondContact O-CA 3.42Å; T277-Q280 WeakPolarHBondContact O-CB 3.26Å; T277-Q280 PolarHBondContact O-N 3.32Å; F278-Q280 PolarHBondContact O-N 3.04Å
281D86.1Confident92.2Very high79 Ų7969 Ų6942%0.42237%0.371SS..Hα-helixtrans-84-27.8-174.6-63.1-23.6000112.7T277 F278T277-D281 VanDerWaalsContact CB-OD2 3.3Å; T277-D281 WeakPolarHBondContact CB-OD2 3.45Å; T277-D281 VanDerWaalsContact O-CG 3.3Å; T277-D281 PolarHBondContact O-N 3.26Å; T277-D281 PolarHBondContact OG1-OD2 3.08Å; F278-D281 PolarHBondContact O-N 2.85Å
282F89.2Confident92.2Very high36 Ų3670.9 Ų70.916%0.15838%0.375CS..  trans-108.9103-174.9-175.6-100.7000111.9Y250 F278 G284 I286 L289Y250-F282 HydrophobicContact CD1-CB 4.26Å; Y250-F282 HydrophobicContact CD1-CD2 4.14Å; Y250-F282 HydrophobicContact CD2-CD2 4.35Å; Y250-F282 HydrophobicContact CE1-CD2 4.4Å; Y250-F282 HydrophobicContact CG-CD2 4.12Å; F278-F282 HydrophobicContact CD2-CB 4.07Å; F278-F282 HydrophobicContact CE1-CB 4.48Å; F278-F282 HydrophobicContact CE1-CD1 4.26Å; F278-F282 HydrophobicContact CE2-CB 3.72Å; F278-F282 HydrophobicContact CE2-CD1 4.15Å; F278-F282 HydrophobicContact CE2-CD2 4.38Å; F278-F282 AromaticContact CE2-CG 3.83Å; F278-F282 HydrophobicContact CE2-CG 3.83Å; F278-F282 HydrophobicContact CZ-CB 3.95Å; F278-F282 AromaticContact CZ-CD1 3.63Å; F278-F282 HydrophobicContact CZ-CD1 3.63Å; F278-F282 HydrophobicContact CZ-CE1 4.29Å; F278-F282 AromaticContact CZ-CG 3.81Å; F278-F282 HydrophobicContact CZ-CG 3.81Å; F278-F282 VanDerWaalsContact O-CB 3.27Å; F278-F282 WeakPolarHBondContact O-CB 3.46Å; F278-F282 PolarHBondContact O-N 3.24Å; F282-G284 WeakPolarHBondContact CE1-O 3.48Å; F282-G284 VanDerWaalsContact CZ-C 3.49Å; F282-I286 HydrophobicContact CE1-CD1 4.31Å; F282-L289 HydrophobicContact CE1-CB 4.44Å; F282-L289 HydrophobicContact CE1-CD2 4.26Å; F282-L289 HydrophobicContact CE2-CB 4.25Å; F282-L289 HydrophobicContact CE2-CD1 4.13Å; F282-L289 HydrophobicContact CE2-CD2 4.26Å; F282-L289 HydrophobicContact CE2-CG 4.47Å; F282-L289 HydrophobicContact CZ-CB 3.78Å; F282-L289 HydrophobicContact CZ-CD1 4.49Å; F282-L289 HydrophobicContact CZ-CD2 4.1Å; F282-L289 HydrophobicContact CZ-CG 4.36Å
283S87.6Confident92.2Very high130 Ų13070.9 Ų70.991%0.90938%0.375SS*.  trans-100.513172.469.40000113.4
284G87.9Confident92.1Very high45 Ų4570.6 Ų70.646%0.46437%0.374SS..SBendtrans-87.1-178.8-174.300000114.2F282 I286F282-G284 WeakPolarHBondContact CE1-O 3.48Å; F282-G284 VanDerWaalsContact CZ-C 3.49Å; G284-I286 PolarHBondContact O-N 2.93Å
285N91.9Very high92Very high100 Ų10077.3 Ų77.354%0.53541%0.405SS..  trans-75.7115.9174.3-173.5-18.3000110.6I287 H288 L289N285-I287 PolarHBondContact O-N 2.97Å; N285-I287 VanDerWaalsContact OD1-CB 3.32Å; N285-I287 WeakPolarHBondContact OD1-CB 3.39Å; N285-I287 PolarHBondContact OD1-N 3.48Å; N285-H288 HydrophobicContact CB-CB 4.32Å; N285-H288 PolarHBondContact O-N 3.05Å; N285-H288 VanDerWaalsContact O-N 3.15Å; N285-L289 PolarHBondContact O-N 3.43Å
286I92.2Very high92.1Very high58 Ų5879.8 Ų79.830%0.29742%0.417SS..Hα-helixtrans-59-34.3179.4-166.963000112.5F278 F282 G284 H288 L289 E290F278-I286 HydrophobicContact CE1-CD1 4.34Å; F278-I286 HydrophobicContact CZ-CD1 4.11Å; F282-I286 HydrophobicContact CE1-CD1 4.31Å; G284-I286 PolarHBondContact O-N 2.93Å; I286-H288 VanDerWaalsContact C-N 3.3Å; I286-H288 PolarHBondContact O-N 3Å; I286-L289 HydrophobicContact CD1-CD2 4.03Å; I286-L289 WeakPolarHBondContact O-CB 3.46Å; I286-L289 PolarHBondContact O-N 3.44Å; I286-E290 HydrophobicContact CG1-CG 4.33Å; I286-E290 WeakPolarHBondContact O-CB 3.38Å; I286-E290 WeakPolarHBondContact O-CG 3.47Å; I286-E290 PolarHBondContact O-N 3.45Å
287I92.7Very high92.3Very high120 Ų12075 Ų7562%0.61540%0.395SS*.Hα-helixtrans-63.4-39.9179.5-59.4170.1000110.3N285 E290 S291N285-I287 PolarHBondContact O-N 2.97Å; N285-I287 VanDerWaalsContact OD1-CB 3.32Å; N285-I287 WeakPolarHBondContact OD1-CB 3.39Å; N285-I287 PolarHBondContact OD1-N 3.48Å; I287-E290 PolarHBondContact O-N 2.94Å; I287-S291 WeakPolarHBondContact O-CB 3.26Å; I287-S291 PolarHBondContact O-N 3.21Å
288H93.8Very high92.4Very high116 Ų11673.7 Ų73.754%0.53739%0.386SS..Hα-helixtrans-69.3-39.8177.5-173-80.8000111.4N285 I286 S291 Q292N285-H288 HydrophobicContact CB-CB 4.32Å; N285-H288 PolarHBondContact O-N 3.05Å; N285-H288 VanDerWaalsContact O-N 3.15Å; I286-H288 VanDerWaalsContact C-N 3.3Å; I286-H288 PolarHBondContact O-N 3Å; H288-S291 PolarHBondContact O-N 2.99Å; H288-Q292 PolarHBondContact CE1-NE2 3.48Å; H288-Q292 VanDerWaalsContact CE1-NE2 3.35Å; H288-Q292 WeakPolarHBondContact O-CG 3.46Å; H288-Q292 PolarHBondContact O-N 3.12Å; H288-Q292 VanDerWaalsContact O-N 3.08Å
289L93.8Very high92.6Very high3 Ų376.5 Ų76.52%0.01641%0.407CS..Hα-helixtrans-62.1-46.4174.5-173.574.8000111F251 F278 F282 N285 I286 S291 Q292 V293F251-L289 HydrophobicContact CD1-CD1 3.77Å; F251-L289 HydrophobicContact CD1-CG 4.39Å; F251-L289 HydrophobicContact CE1-CD1 4.18Å; F278-L289 HydrophobicContact CE2-CD2 3.52Å; F278-L289 HydrophobicContact CZ-CD2 3.37Å; F282-L289 HydrophobicContact CE1-CB 4.44Å; F282-L289 HydrophobicContact CE1-CD2 4.26Å; F282-L289 HydrophobicContact CE2-CB 4.25Å; F282-L289 HydrophobicContact CE2-CD1 4.13Å; F282-L289 HydrophobicContact CE2-CD2 4.26Å; F282-L289 HydrophobicContact CE2-CG 4.47Å; F282-L289 HydrophobicContact CZ-CB 3.78Å; F282-L289 HydrophobicContact CZ-CD1 4.49Å; F282-L289 HydrophobicContact CZ-CD2 4.1Å; F282-L289 HydrophobicContact CZ-CG 4.36Å; N285-L289 PolarHBondContact O-N 3.43Å; I286-L289 HydrophobicContact CD1-CD2 4.03Å; I286-L289 WeakPolarHBondContact O-CB 3.46Å; I286-L289 PolarHBondContact O-N 3.44Å; L289-S291 VanDerWaalsContact C-N 3.33Å; L289-S291 PolarHBondContact O-N 2.9Å; L289-Q292 WeakPolarHBondContact O-CB 3.34Å; L289-Q292 PolarHBondContact O-N 3.24Å; L289-Q292 VanDerWaalsContact O-N 3.13Å; L289-V293 VanDerWaalsContact O-CG2 3.29Å; L289-V293 WeakPolarHBondContact O-CG2 3.42Å; L289-V293 PolarHBondContact O-N 3.16Å
290E95.6Very high93Very high32 Ų3272.1 Ų72.115%0.1539%0.389CS..Hα-helixtrans-63.4-38.5177.9-71.7-176.1179.100111.8T265 G266 Y272 I286 I287 Q292 V293 E294T265-E290 HydrophobicContact CG2-CB 4.1Å; T265-E290 HydrophobicContact CG2-CG 4.19Å; G266-E290 PolarHBondContact N-OE2 3.31Å; Y272-E290 HydrophobicContact CE1-CG 4.39Å; Y272-E290 PolarHBondContact OH-OE1 2.84Å; I286-E290 HydrophobicContact CG1-CG 4.33Å; I286-E290 WeakPolarHBondContact O-CB 3.38Å; I286-E290 WeakPolarHBondContact O-CG 3.47Å; I286-E290 PolarHBondContact O-N 3.45Å; I287-E290 PolarHBondContact O-N 2.94Å; E290-Q292 VanDerWaalsContact C-N 3.31Å; E290-Q292 PolarHBondContact O-N 3.15Å; E290-V293 WeakPolarHBondContact O-CB 3.43Å; E290-V293 PolarHBondContact O-N 3Å; E290-E294 WeakPolarHBondContact O-CG 3.37Å; E290-E294 PolarHBondContact O-N 2.98Å
291S94.2Very high93.3Very high70 Ų7064.5 Ų64.549%0.4935%0.353SS..Hα-helixtrans-59.8-40.1172.1-174.20000112.3I287 H288 L289 E294 E295I287-S291 WeakPolarHBondContact O-CB 3.26Å; I287-S291 PolarHBondContact O-N 3.21Å; H288-S291 PolarHBondContact O-N 2.99Å; L289-S291 VanDerWaalsContact C-N 3.33Å; L289-S291 PolarHBondContact O-N 2.9Å; S291-E294 PolarHBondContact O-N 3.4Å; S291-E295 WeakPolarHBondContact O-CB 3.4Å; S291-E295 PolarHBondContact O-N 3.1Å
292Q94.2Very high93.8Very high89 Ų8967.3 Ų67.342%0.41636%0.358SS..Hα-helixtrans-68.2-40.1176.1-71.9-178.2-32.700112.1F251 H288 L289 E290 E294 E295 E296F251-Q292 HydrophobicContact CE1-CB 4.43Å; H288-Q292 PolarHBondContact CE1-NE2 3.48Å; H288-Q292 VanDerWaalsContact CE1-NE2 3.35Å; H288-Q292 WeakPolarHBondContact O-CG 3.46Å; H288-Q292 PolarHBondContact O-N 3.12Å; H288-Q292 VanDerWaalsContact O-N 3.08Å; L289-Q292 WeakPolarHBondContact O-CB 3.34Å; L289-Q292 PolarHBondContact O-N 3.24Å; L289-Q292 VanDerWaalsContact O-N 3.13Å; E290-Q292 VanDerWaalsContact C-N 3.31Å; E290-Q292 PolarHBondContact O-N 3.15Å; Q292-E294 VanDerWaalsContact C-N 3.33Å; Q292-E295 PolarHBondContact O-N 3.34Å; Q292-E296 PolarHBondContact O-N 3.29Å
293V96.1Very high94.2Very high0 Ų071.7 Ų71.70%038%0.377CS..Hα-helixtrans-58.4-47.2173.9171.10000110.3F251 L253 T265 V270 Y272 L289 E290 E296 Y297F251-V293 HydrophobicContact CB-CG2 4.42Å; F251-V293 HydrophobicContact CD1-CG2 3.84Å; F251-V293 HydrophobicContact CD2-CB 4.49Å; F251-V293 HydrophobicContact CD2-CG2 3.58Å; F251-V293 HydrophobicContact CE1-CG2 3.9Å; F251-V293 HydrophobicContact CE2-CB 4.22Å; F251-V293 HydrophobicContact CE2-CG2 3.65Å; F251-V293 HydrophobicContact CG-CG2 3.67Å; F251-V293 HydrophobicContact CZ-CB 4.42Å; F251-V293 HydrophobicContact CZ-CG2 3.81Å; L253-V293 HydrophobicContact CD2-CG1 3.95Å; T265-V293 HydrophobicContact CG2-CB 4.08Å; T265-V293 HydrophobicContact CG2-CG1 3.68Å; V270-V293 HydrophobicContact CG1-CG1 4.24Å; Y272-V293 HydrophobicContact CD1-CG1 3.85Å; Y272-V293 HydrophobicContact CD1-CG2 4.36Å; Y272-V293 HydrophobicContact CD2-CG2 4.17Å; Y272-V293 HydrophobicContact CG-CG1 3.88Å; Y272-V293 HydrophobicContact CG-CG2 4.04Å; L289-V293 VanDerWaalsContact O-CG2 3.29Å; L289-V293 WeakPolarHBondContact O-CG2 3.42Å; L289-V293 PolarHBondContact O-N 3.16Å; E290-V293 WeakPolarHBondContact O-CB 3.43Å; E290-V293 PolarHBondContact O-N 3Å; V293-E296 PolarHBondContact O-N 3.48Å; V293-Y297 VanDerWaalsContact O-CB 3.28Å; V293-Y297 WeakPolarHBondContact O-CB 3.14Å; V293-Y297 PolarHBondContact O-N 2.87Å
294E95Very high94.7Very high19 Ų1972 Ų729%0.08936%0.359CS..Hα-helixtrans-66.4-40.7-180-68.8-171.7165.900111.9T265 T267 H268 V270 E290 S291 Q292 Y297 I298T265-E294 WeakPolarHBondContact CB-OE1 3.17Å; T265-E294 HydrophobicContact CG2-CG 3.82Å; T265-E294 PolarHBondContact OG1-OE1 3.41Å; T267-E294 WeakPolarHBondContact CB-OE1 3.09Å; H268-E294 IonicContact CE1-OE2 2.86Å; H268-E294 IonicContact CG-OE1 2.72Å; H268-E294 IonicContact CG-OE2 3.97Å; H268-E294 PolarHBondContact N-OE1 3.02Å; H268-E294 IonicContact ND1-OE1 3.05Å; H268-E294 PolarHBondContact ND1-OE1 3.12Å; H268-E294 IonicContact ND1-OE2 2.81Å; H268-E294 PolarHBondContact ND1-OE2 3.48Å; V270-E294 HydrophobicContact CG2-CG 4.32Å; E290-E294 WeakPolarHBondContact O-CG 3.37Å; E290-E294 PolarHBondContact O-N 2.98Å; S291-E294 PolarHBondContact O-N 3.4Å; Q292-E294 VanDerWaalsContact C-N 3.33Å; E294-Y297 PolarHBondContact O-N 2.99Å; E294-I298 WeakPolarHBondContact O-CB 2.88Å; E294-I298 WeakPolarHBondContact O-CG1 3.45Å; E294-I298 PolarHBondContact O-N 2.95Å
295E94.7Very high95.2Very high141 Ų14170.9 Ų70.966%0.65934%0.343SS*.Hα-helixtrans-60.9-47.3176.1-173.9176.9-172.900111.8S291 Q292 I298 S299S291-E295 WeakPolarHBondContact O-CB 3.4Å; S291-E295 PolarHBondContact O-N 3.1Å; Q292-E295 PolarHBondContact O-N 3.34Å; E295-I298 PolarHBondContact O-N 3.09Å; E295-S299 WeakPolarHBondContact O-CB 3.46Å; E295-S299 PolarHBondContact O-N 2.99Å
296E95.3Very high95.4Very high88 Ų8872.6 Ų72.641%0.41135%0.346SS..Hα-helixtrans-64.6-41177.4-167-173.9151.600111.5F251 L253 Q292 V293 S299 N300F251-E296 VanDerWaalsContact CE2-OE2 3.3Å; F251-E296 WeakPolarHBondContact CE2-OE2 3.29Å; F251-E296 WeakPolarHBondContact CZ-OE2 3.44Å; L253-E296 HydrophobicContact CD1-CB 4.01Å; L253-E296 HydrophobicContact CD1-CG 3.71Å; Q292-E296 PolarHBondContact O-N 3.29Å; V293-E296 PolarHBondContact O-N 3.48Å; E296-S299 PolarHBondContact O-N 3.49Å; E296-N300 WeakPolarHBondContact O-CB 3.5Å; E296-N300 PolarHBondContact O-N 2.88Å; E296-N300 PolarHBondContact O-ND2 3.09Å
297Y95.9Very high95.7Very high54 Ų5477.6 Ų77.621%0.21236%0.361CS..Hα-helixtrans-62.9-47.5176.9-179.3-97.5000111.9L253 V270 V293 E294 S299 N300 L301 I345L253-Y297 HydrophobicContact CD2-CD2 4.37Å; V270-Y297 HydrophobicContact CB-CD1 4.44Å; V270-Y297 HydrophobicContact CB-CG 4.4Å; V270-Y297 HydrophobicContact CG1-CD1 3.88Å; V270-Y297 HydrophobicContact CG1-CD2 3.48Å; V270-Y297 VanDerWaalsContact CG1-CD2 3.48Å; V270-Y297 HydrophobicContact CG1-CE1 4.36Å; V270-Y297 HydrophobicContact CG1-CE2 4Å; V270-Y297 HydrophobicContact CG1-CG 3.4Å; V270-Y297 HydrophobicContact CG2-CD1 3.62Å; V270-Y297 HydrophobicContact CG2-CE1 3.91Å; V270-Y297 HydrophobicContact CG2-CG 4.04Å; V293-Y297 VanDerWaalsContact O-CB 3.28Å; V293-Y297 WeakPolarHBondContact O-CB 3.14Å; V293-Y297 PolarHBondContact O-N 2.87Å; E294-Y297 PolarHBondContact O-N 2.99Å; Y297-S299 VanDerWaalsContact C-N 3.33Å; Y297-S299 PolarHBondContact O-N 2.96Å; Y297-N300 PolarHBondContact O-N 3.14Å; Y297-L301 HydrophobicContact CE1-CD2 4.08Å; Y297-L301 VanDerWaalsContact O-CB 3.29Å; Y297-L301 WeakPolarHBondContact O-CB 3.47Å; Y297-L301 PolarHBondContact O-N 2.85Å; Y297-I345 HydrophobicContact CD1-CD1 4.22Å; Y297-I345 HydrophobicContact CE1-CD1 3.72Å
298I95.7Very high95.9Very high31 Ų3173.7 Ų73.716%0.15934%0.34CS..Hα-helixtrans-63.2-40177.9-69.5166.8000110.6E294 E295 L301 R302 L342 I345E294-I298 WeakPolarHBondContact O-CB 2.88Å; E294-I298 WeakPolarHBondContact O-CG1 3.45Å; E294-I298 PolarHBondContact O-N 2.95Å; E295-I298 PolarHBondContact O-N 3.09Å; I298-L301 PolarHBondContact O-N 2.89Å; I298-R302 HydrophobicContact CG2-CG 4.4Å; I298-R302 WeakPolarHBondContact O-CB 3.48Å; I298-R302 VanDerWaalsContact O-CG 3.29Å; I298-R302 WeakPolarHBondContact O-CG 3.44Å; I298-R302 PolarHBondContact O-N 2.92Å; I298-L342 HydrophobicContact CG2-CD1 4.09Å; I298-I345 HydrophobicContact CD1-CG2 3.76Å; I298-I345 HydrophobicContact CG1-CG2 3.97Å
299S95.9Very high96Very high72 Ų7273.9 Ų73.950%0.50334%0.34SS..Hα-helixtrans-60.4-48.5175.5-173.90000111.8E295 E296 Y297 L301 R302 F303E295-S299 WeakPolarHBondContact O-CB 3.46Å; E295-S299 PolarHBondContact O-N 2.99Å; E296-S299 PolarHBondContact O-N 3.49Å; Y297-S299 VanDerWaalsContact C-N 3.33Å; Y297-S299 PolarHBondContact O-N 2.96Å; S299-L301 VanDerWaalsContact C-N 3.32Å; S299-L301 PolarHBondContact O-N 3.05Å; S299-R302 WeakPolarHBondContact O-CB 3.37Å; S299-R302 PolarHBondContact O-N 3.26Å; S299-F303 PolarHBondContact O-N 3.32Å
300N96Very high96.2Very high66 Ų6677.7 Ų77.735%0.35336%0.36SS..Hα-helixtrans-61.3-40.5175.2-79.9-43.1000112.2L253 E296 Y297 F303 R304L253-N300 VanDerWaalsContact CD1-ND2 3.35Å; L253-N300 WeakPolarHBondContact CD1-ND2 3.33Å; E296-N300 WeakPolarHBondContact O-CB 3.5Å; E296-N300 PolarHBondContact O-N 2.88Å; E296-N300 PolarHBondContact O-ND2 3.09Å; Y297-N300 PolarHBondContact O-N 3.14Å; N300-F303 PolarHBondContact O-N 3.45Å; N300-R304 WeakPolarHBondContact O-CG 3.46Å; N300-R304 PolarHBondContact O-N 3.46Å
301L95.7Very high96.2Very high5 Ų582.7 Ų82.73%0.02638%0.379CS..Hα-helixtrans-67.3-40178.9-16567.8000111.9Y297 I298 S299 R304 C305 N338 R341 L342 I345Y297-L301 HydrophobicContact CE1-CD2 4.08Å; Y297-L301 VanDerWaalsContact O-CB 3.29Å; Y297-L301 WeakPolarHBondContact O-CB 3.47Å; Y297-L301 PolarHBondContact O-N 2.85Å; I298-L301 PolarHBondContact O-N 2.89Å; S299-L301 VanDerWaalsContact C-N 3.32Å; S299-L301 PolarHBondContact O-N 3.05Å; L301-R304 PolarHBondContact O-N 3.03Å; L301-C305 VanDerWaalsContact O-CB 3.32Å; L301-C305 WeakPolarHBondContact O-CB 3.1Å; L301-C305 PolarHBondContact O-N 3.08Å; L301-N338 HydrophobicContact CD1-CB 3.82Å; L301-N338 WeakPolarHBondContact CD1-OD1 3.33Å; L301-R341 HydrophobicContact CD1-CB 4.38Å; L301-R341 HydrophobicContact CD1-CG 4.45Å; L301-R341 HydrophobicContact CD2-CB 4.14Å; L301-R341 HydrophobicContact CD2-CG 3.89Å; L301-L342 HydrophobicContact CD2-CB 3.78Å; L301-L342 HydrophobicContact CD2-CD1 4.13Å; L301-L342 HydrophobicContact CG-CB 4.02Å; L301-L342 HydrophobicContact CG-CD1 4.46Å; L301-I345 HydrophobicContact CD2-CD1 3.98Å
302R97.1Very high96.3Very high139 Ų13981.1 Ų81.153%0.52536%0.363SS..Hα-helixtrans-58.9-46.9172.2-77.6173.5178.4175.52.7111.7I298 S299 C305 F306 L342I298-R302 HydrophobicContact CG2-CG 4.4Å; I298-R302 WeakPolarHBondContact O-CB 3.48Å; I298-R302 VanDerWaalsContact O-CG 3.29Å; I298-R302 WeakPolarHBondContact O-CG 3.44Å; I298-R302 PolarHBondContact O-N 2.92Å; S299-R302 WeakPolarHBondContact O-CB 3.37Å; S299-R302 PolarHBondContact O-N 3.26Å; R302-C305 PolarHBondContact O-N 3.07Å; R302-F306 WeakPolarHBondContact O-CB 3.39Å; R302-F306 PolarHBondContact O-N 3.35Å; R302-L342 HydrophobicContact CB-CD2 4.45Å; R302-L342 HydrophobicContact CG-CD1 3.81Å; R302-L342 HydrophobicContact CG-CD2 3.75Å; R302-L342 HydrophobicContact CG-CG 4.46Å
303F97.2Very high96.4Very high127 Ų12781.5 Ų81.556%0.55736%0.364SS*.Hα-helixtrans-62.5-43.5177.5179.5-102.8000111.9S299 N300 F306 R307S299-F303 PolarHBondContact O-N 3.32Å; N300-F303 PolarHBondContact O-N 3.45Å; F303-F306 PolarHBondContact O-N 2.97Å; F303-R307 HydrophobicContact CE1-CG 4.35Å; F303-R307 HydrophobicContact CZ-CG 4.34Å; F303-R307 PolarHBondContact O-N 2.93Å; F303-R307 VanDerWaalsContact O-N 3.1Å
304R97.4Very high96.4Very high138 Ų13885.6 Ų85.652%0.52139%0.386SS..Hα-helixtrans-65.2-45.5177-70.5176.1-175.5-164.12.1112.4N300 L301 F306 R307 E308 N338N300-R304 WeakPolarHBondContact O-CG 3.46Å; N300-R304 PolarHBondContact O-N 3.46Å; L301-R304 PolarHBondContact O-N 3.03Å; R304-F306 VanDerWaalsContact C-N 3.32Å; R304-F306 PolarHBondContact O-N 2.81Å; R304-R307 WeakPolarHBondContact O-CB 3.37Å; R304-R307 PolarHBondContact O-N 3.08Å; R304-R307 VanDerWaalsContact O-N 3.16Å; R304-E308 PolarHBondContact O-N 3.49Å; R304-N338 HydrophobicContact CB-CB 3.92Å
305C97.8Very high96.5Very high20 Ų2087.3 Ų87.314%0.13540%0.396CS..Hα-helixtrans-59.7-42.2174.6169.90000111.7L301 R302 R307 E308 K309 N338 C339 L342L301-C305 VanDerWaalsContact O-CB 3.32Å; L301-C305 WeakPolarHBondContact O-CB 3.1Å; L301-C305 PolarHBondContact O-N 3.08Å; R302-C305 PolarHBondContact O-N 3.07Å; C305-R307 VanDerWaalsContact C-N 3.31Å; C305-R307 PolarHBondContact O-N 3.27Å; C305-E308 PolarHBondContact O-N 3.18Å; C305-K309 WeakPolarHBondContact O-CB 3.18Å; C305-K309 PolarHBondContact O-N 3.44Å; C305-N338 HydrophobicContact CB-CB 4.49Å; C305-C339 VanDerWaalsContact C-SG 3.59Å; C305-C339 WeakPolarHBondContact CA-SG 3.28Å; C305-C339 HydrophobicContact CB-CB 3.95Å; C305-C339 WeakPolarHBondContact CB-SG 3.3Å; C305-C339 PolarHBondContact O-SG 3.28Å; C305-C339 WeakPolarHBondContact SG-CA 3.19Å; C305-C339 WeakPolarHBondContact SG-CB 3.26Å; C305-C339 CovalentContact SG-SG 2.04Å; C305-C339 PolarHBondContact SG-SG 3.28Å; C305-L342 HydrophobicContact CB-CD2 4.18Å
306F97.4Very high96.5Very high136 Ų13681.3 Ų81.360%0.59637%0.368SS*.Hα-helixtrans-57.8-44.3175.1176.4-97.6000111.8R302 F303 R304 K309 D310R302-F306 WeakPolarHBondContact O-CB 3.39Å; R302-F306 PolarHBondContact O-N 3.35Å; F303-F306 PolarHBondContact O-N 2.97Å; R304-F306 VanDerWaalsContact C-N 3.32Å; R304-F306 PolarHBondContact O-N 2.81Å; F306-K309 PolarHBondContact O-N 3.43Å; F306-D310 WeakPolarHBondContact O-CB 3.44Å; F306-D310 PolarHBondContact O-N 3.46Å
307R97.6Very high96.6Very high164 Ų16483.8 Ų83.862%0.61938%0.378SS*.Hα-helixtrans-64.8-40.4176-71.1-171.166-166.7-1.4113.2F303 R304 C305 K309 Y311F303-R307 HydrophobicContact CE1-CG 4.35Å; F303-R307 HydrophobicContact CZ-CG 4.34Å; F303-R307 PolarHBondContact O-N 2.93Å; F303-R307 VanDerWaalsContact O-N 3.1Å; R304-R307 WeakPolarHBondContact O-CB 3.37Å; R304-R307 PolarHBondContact O-N 3.08Å; R304-R307 VanDerWaalsContact O-N 3.16Å; C305-R307 VanDerWaalsContact C-N 3.31Å; C305-R307 PolarHBondContact O-N 3.27Å; R307-K309 VanDerWaalsContact C-N 3.35Å; R307-Y311 WeakPolarHBondContact O-CB 3.44Å; R307-Y311 PolarHBondContact O-N 3.27Å
308E97.3Very high96.6Very high38 Ų3888.8 Ų88.818%0.17840%0.396CS..Hα-helixtrans-61.7-44.6175.2-73.4-178.9164.100111.5R304 C305 Y311 K312 M336 P337 N338 C339R304-E308 PolarHBondContact O-N 3.49Å; C305-E308 PolarHBondContact O-N 3.18Å; E308-Y311 PolarHBondContact O-N 2.97Å; E308-K312 WeakPolarHBondContact O-CB 3.43Å; E308-K312 PolarHBondContact O-N 2.9Å; E308-M336 HydrophobicContact CB-CB 4.3Å; E308-M336 HydrophobicContact CB-CG 4.19Å; E308-M336 WeakPolarHBondContact OE2-CA 3.44Å; E308-M336 WeakPolarHBondContact OE2-CB 3.33Å; E308-P337 WeakPolarHBondContact OE1-CD 3.4Å; E308-N338 PolarHBondContact OE1-N 3.45Å; E308-N338 PolarHBondContact OE1-ND2 3.4Å; E308-N338 WeakPolarHBondContact OE2-CB 3.45Å; E308-N338 PolarHBondContact OE2-N 3.4Å; E308-N338 VanDerWaalsContact OE2-N 3.11Å; E308-C339 PolarHBondContact OE2-N 2.91Å
309K96.6Very high96.6Very high120 Ų12087.5 Ų87.552%0.52239%0.391SS..Hα-helixtrans-64.1-46.2178.1-173.4177.6-180177.10111.8C305 F306 R307 Y311 K312 E313C305-K309 WeakPolarHBondContact O-CB 3.18Å; C305-K309 PolarHBondContact O-N 3.44Å; F306-K309 PolarHBondContact O-N 3.43Å; R307-K309 VanDerWaalsContact C-N 3.35Å; K309-Y311 VanDerWaalsContact C-N 3.32Å; K309-Y311 PolarHBondContact O-N 3Å; K309-K312 PolarHBondContact O-N 3.41Å; K309-E313 WeakPolarHBondContact O-CG 3.46Å; K309-E313 PolarHBondContact O-N 2.91Å
310D96.7Very high96.6Very high82 Ų8291.4 Ų91.444%0.43939%0.394SS..Hα-helixtrans-60.1-43.5176.3-176.169.5000111.4F306 K312 E313 N314F306-D310 WeakPolarHBondContact O-CB 3.44Å; F306-D310 PolarHBondContact O-N 3.46Å; D310-K312 PolarHBondContact O-N 3.32Å; D310-E313 PolarHBondContact O-N 2.84Å; D310-N314 WeakPolarHBondContact O-CB 3.42Å; D310-N314 VanDerWaalsContact O-CG 3.27Å; D310-N314 PolarHBondContact O-N 2.83Å; D310-N314 PolarHBondContact O-ND2 3.04Å; D310-N314 PolarHBondContact OD2-ND2 3.41Å
311Y96.6Very high96.5Very high138 Ų13896.3 Ų96.354%0.54141%0.409SS..Hα-helixtrans-59.9-45.3174.7-179.5-102.9000112.3R307 E308 K309 N314 L315 L334R307-Y311 WeakPolarHBondContact O-CB 3.44Å; R307-Y311 PolarHBondContact O-N 3.27Å; E308-Y311 PolarHBondContact O-N 2.97Å; K309-Y311 VanDerWaalsContact C-N 3.32Å; K309-Y311 PolarHBondContact O-N 3Å; Y311-N314 PolarHBondContact O-N 3.33Å; Y311-L315 HydrophobicContact CD1-CD1 3.96Å; Y311-L315 HydrophobicContact CE1-CD1 3.43Å; Y311-L315 VanDerWaalsContact CE1-CD1 3.43Å; Y311-L315 HydrophobicContact CE1-CG 4.27Å; Y311-L315 WeakPolarHBondContact O-CG 3.26Å; Y311-L315 PolarHBondContact O-N 3.43Å; Y311-L334 HydrophobicContact CD1-CD2 3.69Å; Y311-L334 HydrophobicContact CE1-CD2 3.9Å
312K96.7Very high96.5Very high36 Ų36103.5 Ų103.516%0.15744%0.437CS..Hα-helixtrans-62.2-46176.3-173.3170.3-179.3155.30112.3E308 K309 D310 L315 L316 A331 M332 L334 M336E308-K312 WeakPolarHBondContact O-CB 3.43Å; E308-K312 PolarHBondContact O-N 2.9Å; K309-K312 PolarHBondContact O-N 3.41Å; D310-K312 PolarHBondContact O-N 3.32Å; K312-L315 PolarHBondContact O-N 3.04Å; K312-L316 HydrophobicContact CG-CD1 4.21Å; K312-L316 WeakPolarHBondContact O-CG 3.3Å; K312-L316 PolarHBondContact O-N 3.48Å; K312-A331 WeakPolarHBondContact CE-O 3.4Å; K312-M332 WeakPolarHBondContact CE-O 3.43Å; K312-M332 PolarHBondContact NZ-O 3.27Å; K312-L334 HydrophobicContact CB-CD2 4.05Å; K312-L334 HydrophobicContact CD-CB 4.35Å; K312-L334 HydrophobicContact CG-CB 4.47Å; K312-L334 HydrophobicContact CG-CD2 4.35Å; K312-L334 PolarHBondContact NZ-O 3.21Å; K312-M336 HydrophobicContact CB-SD 4.34Å; K312-M336 HydrophobicContact CD-CE 4.17Å; K312-M336 HydrophobicContact CD-CG 4.36Å; K312-M336 HydrophobicContact CD-SD 3.65Å
313E95.8Very high96.3Very high97 Ų9799.6 Ų99.645%0.45344%0.44SS..Hα-helixtrans-62.4-41.8177.5-73.7-67.1162.300111.8K309 D310 L315 L316 F317K309-E313 WeakPolarHBondContact O-CG 3.46Å; K309-E313 PolarHBondContact O-N 2.91Å; D310-E313 PolarHBondContact O-N 2.84Å; E313-L315 VanDerWaalsContact C-N 3.34Å; E313-L315 PolarHBondContact O-N 3.24Å; E313-L316 PolarHBondContact O-N 3.49Å; E313-F317 WeakPolarHBondContact O-CB 3.46Å; E313-F317 PolarHBondContact O-N 3.21Å
314N96.7Very high96.2Very high86 Ų8696.8 Ų96.846%0.4643%0.431SS..Hα-helixtrans-62.8-39.7175.9-75.8-43.7000112.2D310 Y311 R318D310-N314 WeakPolarHBondContact O-CB 3.42Å; D310-N314 VanDerWaalsContact O-CG 3.27Å; D310-N314 PolarHBondContact O-N 2.83Å; D310-N314 PolarHBondContact O-ND2 3.04Å; D310-N314 PolarHBondContact OD2-ND2 3.41Å; Y311-N314 PolarHBondContact O-N 3.33Å; N314-R318 WeakPolarHBondContact O-CB 3.49Å; N314-R318 PolarHBondContact O-N 2.95Å
315L95.9Very high96Very high56 Ų5696.2 Ų96.229%0.29344%0.438SS..Hα-helixtrans-64.6-44.6173.6-73.5175.3000112Y311 K312 E313 R318 A319 A331 L334Y311-L315 HydrophobicContact CD1-CD1 3.96Å; Y311-L315 HydrophobicContact CE1-CD1 3.43Å; Y311-L315 VanDerWaalsContact CE1-CD1 3.43Å; Y311-L315 HydrophobicContact CE1-CG 4.27Å; Y311-L315 WeakPolarHBondContact O-CG 3.26Å; Y311-L315 PolarHBondContact O-N 3.43Å; K312-L315 PolarHBondContact O-N 3.04Å; E313-L315 VanDerWaalsContact C-N 3.34Å; E313-L315 PolarHBondContact O-N 3.24Å; L315-R318 PolarHBondContact O-N 2.94Å; L315-A319 WeakPolarHBondContact O-CB 3.45Å; L315-A319 PolarHBondContact O-N 3.45Å; L315-A331 HydrophobicContact CB-CB 3.7Å; L315-L334 HydrophobicContact CD1-CD2 4.26Å
316L96.4Very high95.9Very high15 Ų1598.1 Ų98.18%0.07946%0.455CS..Hα-helixtrans-63.3-42.5177.2-71.8168.8000111.7K312 E313 A319 R320 Y328 A331 M332K312-L316 HydrophobicContact CG-CD1 4.21Å; K312-L316 WeakPolarHBondContact O-CG 3.3Å; K312-L316 PolarHBondContact O-N 3.48Å; E313-L316 PolarHBondContact O-N 3.49Å; L316-A319 PolarHBondContact O-N 3.4Å; L316-R320 WeakPolarHBondContact O-CB 3.32Å; L316-R320 VanDerWaalsContact O-CG 3.32Å; L316-R320 WeakPolarHBondContact O-CG 3.37Å; L316-R320 PolarHBondContact O-N 3.37Å; L316-Y328 HydrophobicContact CD2-CD2 3.78Å; L316-Y328 HydrophobicContact CD2-CE2 3.57Å; L316-Y328 HydrophobicContact CD2-CG 4.47Å; L316-A331 HydrophobicContact CD2-CB 3.72Å; L316-A331 HydrophobicContact CG-CB 3.95Å; L316-M332 HydrophobicContact CD2-CB 4.48Å
317F95.5Very high95.8Very high139 Ų13993.1 Ų93.161%0.6144%0.437SS*.Hα-helixtrans-60.7-47.6175.4176.2-97.2000111.1E313 A319 R320 Y321E313-F317 WeakPolarHBondContact O-CB 3.46Å; E313-F317 PolarHBondContact O-N 3.21Å; F317-A319 PolarHBondContact O-N 2.74Å; F317-R320 PolarHBondContact O-N 2.96Å; F317-Y321 WeakPolarHBondContact O-CB 3.47Å; F317-Y321 PolarHBondContact O-N 3.21Å
318R96Very high95.7Very high159 Ų15988.3 Ų88.360%0.642%0.419SS*.Hα-helixtrans-60.9-45.1177.6-175.5176.2174.2163.3-0.6111.9N314 L315 Y321 Y322N314-R318 WeakPolarHBondContact O-CB 3.49Å; N314-R318 PolarHBondContact O-N 2.95Å; L315-R318 PolarHBondContact O-N 2.94Å; R318-Y321 PolarHBondContact O-N 3.41Å; R318-Y322 HydrophobicContact CG-CD2 3.65Å; R318-Y322 HydrophobicContact CG-CE2 3.59Å; R318-Y322 VanDerWaalsContact O-CD2 3.23Å; R318-Y322 WeakPolarHBondContact O-CD2 3.02Å; R318-Y322 PolarHBondContact O-N 3.22Å
319A96.3Very high95.7Very high5 Ų590.6 Ų90.64%0.04143%0.433CS..Hα-helixtrans-61.9-43.4178.200000111.8L315 L316 F317 Y321 G323 D324 Y328L315-A319 WeakPolarHBondContact O-CB 3.45Å; L315-A319 PolarHBondContact O-N 3.45Å; L316-A319 PolarHBondContact O-N 3.4Å; F317-A319 PolarHBondContact O-N 2.74Å; A319-Y321 PolarHBondContact O-N 3.31Å; A319-G323 PolarHBondContact O-N 3.41Å; A319-D324 PolarHBondContact O-N 3.5Å; A319-D324 VanDerWaalsContact O-N 3.12Å; A319-Y328 HydrophobicContact CB-CD2 4.28Å
320R95.5Very high95.6Very high154 Ų15493 Ų9358%0.58144%0.438SS*.Hα-helixtrans-64.8-36.8174.4-72.7177.6-176.4155.89.7113L316 F317 Y328L316-R320 WeakPolarHBondContact O-CB 3.32Å; L316-R320 VanDerWaalsContact O-CG 3.32Å; L316-R320 WeakPolarHBondContact O-CG 3.37Å; L316-R320 PolarHBondContact O-N 3.37Å; F317-R320 PolarHBondContact O-N 2.96Å; R320-Y328 HydrophobicContact CG-CD2 4.02Å; R320-Y328 HydrophobicContact CG-CE2 3.92Å; R320-Y328 PolarHBondContact NH2-OH 3.36Å
321Y95.2Very high95.5Very high168 Ų16889.2 Ų89.266%0.65942%0.419SS*.Hα-helixtrans-67.3-41.5179.8-177.8-96000112.3F317 R318 A319F317-Y321 WeakPolarHBondContact O-CB 3.47Å; F317-Y321 PolarHBondContact O-N 3.21Å; R318-Y321 PolarHBondContact O-N 3.41Å; A319-Y321 PolarHBondContact O-N 3.31Å
322Y94.8Very high95.4Very high156 Ų15688.2 Ų88.261%0.61242%0.421SS*.Hα-helixtrans-86.7-11.1178.2-68.4-66.4000114.1R318 D324R318-Y322 HydrophobicContact CG-CD2 3.65Å; R318-Y322 HydrophobicContact CG-CE2 3.59Å; R318-Y322 VanDerWaalsContact O-CD2 3.23Å; R318-Y322 WeakPolarHBondContact O-CD2 3.02Å; R318-Y322 PolarHBondContact O-N 3.22Å; Y322-D324 VanDerWaalsContact C-N 3.35Å
323G93.6Very high95.4Very high57 Ų5794.1 Ų94.159%0.58845%0.449SS*.THydrogen-bonded Turntrans68.831.1-176.400000113.4A319A319-G323 PolarHBondContact O-N 3.41Å
324D93.8Very high95.3Very high69 Ų6992.3 Ų92.337%0.36944%0.442SS..  trans-97.898.1179.7178.67.6000110.6A319 Y322 A326 S327 Y328A319-D324 PolarHBondContact O-N 3.5Å; A319-D324 VanDerWaalsContact O-N 3.12Å; Y322-D324 VanDerWaalsContact C-N 3.35Å; D324-A326 VanDerWaalsContact C-N 3.31Å; D324-A326 PolarHBondContact O-N 2.95Å; D324-A326 PolarHBondContact OD1-N 3.27Å; D324-S327 PolarHBondContact O-N 3.47Å; D324-S327 PolarHBondContact OD1-N 3.06Å; D324-S327 WeakPolarHBondContact OD2-CB 3.29Å; D324-S327 PolarHBondContact OD2-OG 2.88Å; D324-Y328 PolarHBondContact O-N 3.24Å
325D94.4Very high95.2Very high126 Ų12694.5 Ų94.567%0.67445%0.449SS*.Hα-helixtrans-61-36.8-179.3-66.9-32000112.3S327 Y328 D329D325-S327 VanDerWaalsContact C-N 3.34Å; D325-S327 PolarHBondContact O-N 2.97Å; D325-Y328 WeakPolarHBondContact O-CB 3.27Å; D325-Y328 PolarHBondContact O-N 3.34Å; D325-Y328 VanDerWaalsContact O-N 3.11Å; D325-D329 PolarHBondContact O-N 3.46Å
326A95.4Very high95.2Very high59 Ų5993.7 Ų93.749%0.48844%0.444SS..Hα-helixtrans-67.8-35.3-179.900000112D324 R330D324-A326 VanDerWaalsContact C-N 3.31Å; D324-A326 PolarHBondContact O-N 2.95Å; D324-A326 PolarHBondContact OD1-N 3.27Å; A326-R330 VanDerWaalsContact O-CG 3.31Å; A326-R330 WeakPolarHBondContact O-CG 3.09Å; A326-R330 PolarHBondContact O-N 3.2Å; A326-R330 PolarHBondContact O-NE 2.69Å
327S94.4Very high95.2Very high31 Ų3196 Ų9622%0.21746%0.46CS..Hα-helixtrans-72.6-31.9171.7-68.90000112.4D324 D325 R330 A331D324-S327 PolarHBondContact O-N 3.47Å; D324-S327 PolarHBondContact OD1-N 3.06Å; D324-S327 WeakPolarHBondContact OD2-CB 3.29Å; D324-S327 PolarHBondContact OD2-OG 2.88Å; D325-S327 VanDerWaalsContact C-N 3.34Å; D325-S327 PolarHBondContact O-N 2.97Å; S327-R330 PolarHBondContact OG-NH2 3.11Å; S327-A331 WeakPolarHBondContact O-CB 3.31Å; S327-A331 PolarHBondContact O-N 2.7Å
328Y96.4Very high95.2Very high63 Ų6391.2 Ų91.225%0.24744%0.441CS..Hα-helixtrans-64.7-48.2175.6-174-96.5000111.7L316 A319 R320 D324 D325 R330 A331 M332L316-Y328 HydrophobicContact CD2-CD2 3.78Å; L316-Y328 HydrophobicContact CD2-CE2 3.57Å; L316-Y328 HydrophobicContact CD2-CG 4.47Å; A319-Y328 HydrophobicContact CB-CD2 4.28Å; R320-Y328 HydrophobicContact CG-CD2 4.02Å; R320-Y328 HydrophobicContact CG-CE2 3.92Å; R320-Y328 PolarHBondContact NH2-OH 3.36Å; D324-Y328 PolarHBondContact O-N 3.24Å; D325-Y328 WeakPolarHBondContact O-CB 3.27Å; D325-Y328 PolarHBondContact O-N 3.34Å; D325-Y328 VanDerWaalsContact O-N 3.11Å; Y328-R330 PolarHBondContact O-N 2.82Å; Y328-A331 PolarHBondContact O-N 3.21Å; Y328-M332 HydrophobicContact CE1-SD 4.29Å; Y328-M332 WeakPolarHBondContact O-CB 3.33Å; Y328-M332 PolarHBondContact O-N 3.41Å
329D96Very high95.3Very high86 Ų8684.5 Ų84.546%0.4642%0.418SS..Hα-helixtrans-62.9-42.4179.2-72.4-20.1000111.8D325 A331 M332 Q333D325-D329 PolarHBondContact O-N 3.46Å; D329-A331 PolarHBondContact O-N 2.83Å; D329-M332 PolarHBondContact O-N 2.86Å; D329-Q333 WeakPolarHBondContact O-CG 3.34Å; D329-Q333 PolarHBondContact O-N 2.96Å
330R95.1Very high95.2Very high170 Ų17087.7 Ų87.764%0.64244%0.435SS*.Hα-helixtrans-61.2-44174.3-74.6-174.1-63.6162.50.1112.2A326 S327 Y328 M332 Q333 L334A326-R330 VanDerWaalsContact O-CG 3.31Å; A326-R330 WeakPolarHBondContact O-CG 3.09Å; A326-R330 PolarHBondContact O-N 3.2Å; A326-R330 PolarHBondContact O-NE 2.69Å; S327-R330 PolarHBondContact OG-NH2 3.11Å; Y328-R330 PolarHBondContact O-N 2.82Å; R330-M332 VanDerWaalsContact C-N 3.3Å; R330-M332 PolarHBondContact O-N 3.37Å; R330-Q333 PolarHBondContact O-N 3.42Å; R330-L334 PolarHBondContact O-N 3.03Å
331A95.9Very high95.2Very high4 Ų483.8 Ų83.83%0.03342%0.42CS..Hα-helixtrans-64.5-37.1177.200000111.5K312 L315 L316 S327 Y328 D329 L334K312-A331 WeakPolarHBondContact CE-O 3.4Å; L315-A331 HydrophobicContact CB-CB 3.7Å; L316-A331 HydrophobicContact CD2-CB 3.72Å; L316-A331 HydrophobicContact CG-CB 3.95Å; S327-A331 WeakPolarHBondContact O-CB 3.31Å; S327-A331 PolarHBondContact O-N 2.7Å; Y328-A331 PolarHBondContact O-N 3.21Å; D329-A331 PolarHBondContact O-N 2.83Å; A331-L334 VanDerWaalsContact O-CB 3.26Å; A331-L334 WeakPolarHBondContact O-CB 3.47Å; A331-L334 PolarHBondContact O-N 3.25Å
332M94.6Very high95.2Very high116 Ų11676.7 Ų76.757%0.57139%0.393SS*.Hα-helixtrans-67.2-38.8178.2-171163.117300112.4K312 L316 Y328 D329 R330 L334K312-M332 WeakPolarHBondContact CE-O 3.43Å; K312-M332 PolarHBondContact NZ-O 3.27Å; L316-M332 HydrophobicContact CD2-CB 4.48Å; Y328-M332 HydrophobicContact CE1-SD 4.29Å; Y328-M332 WeakPolarHBondContact O-CB 3.33Å; Y328-M332 PolarHBondContact O-N 3.41Å; D329-M332 PolarHBondContact O-N 2.86Å; R330-M332 VanDerWaalsContact C-N 3.3Å; R330-M332 PolarHBondContact O-N 3.37Å; M332-L334 PolarHBondContact O-N 2.95Å
333Q94.9Very high95.2Very high161 Ų16172.5 Ų72.575%0.75239%0.387SS*.THydrogen-bonded Turntrans-77.7-3.1177.1-67.5176.81200114.2D329 R330 H335D329-Q333 WeakPolarHBondContact O-CG 3.34Å; D329-Q333 PolarHBondContact O-N 2.96Å; R330-Q333 PolarHBondContact O-N 3.42Å; Q333-H335 PolarHBondContact O-N 3.24Å; Q333-H335 VanDerWaalsContact O-N 3.09Å
334L94.2Very high95.2Very high59 Ų5975 Ų7531%0.30938%0.383SS..  trans-60116.9178.5-167.376.3000110.7Y311 K312 L315 R330 A331 M332Y311-L334 HydrophobicContact CD1-CD2 3.69Å; Y311-L334 HydrophobicContact CE1-CD2 3.9Å; K312-L334 HydrophobicContact CB-CD2 4.05Å; K312-L334 HydrophobicContact CD-CB 4.35Å; K312-L334 HydrophobicContact CG-CB 4.47Å; K312-L334 HydrophobicContact CG-CD2 4.35Å; K312-L334 PolarHBondContact NZ-O 3.21Å; L315-L334 HydrophobicContact CD1-CD2 4.26Å; R330-L334 PolarHBondContact O-N 3.03Å; A331-L334 VanDerWaalsContact O-CB 3.26Å; A331-L334 WeakPolarHBondContact O-CB 3.47Å; A331-L334 PolarHBondContact O-N 3.25Å; M332-L334 PolarHBondContact O-N 2.95Å
335H95Very high95.1Very high131 Ų13172.1 Ų72.161%0.60637%0.368SS*.  trans-75.8136.2175.5178.759.6000110.5Q333 P337 D340Q333-H335 PolarHBondContact O-N 3.24Å; Q333-H335 VanDerWaalsContact O-N 3.09Å; H335-P337 VanDerWaalsContact O-CD 3.32Å; H335-P337 WeakPolarHBondContact O-CD 3.46Å; H335-D340 IonicContact CE1-OD2 3.31Å; H335-D340 PolarHBondContact CE1-OD2 3.05Å; H335-D340 IonicContact ND1-OD2 2.7Å; H335-D340 PolarHBondContact ND1-OD2 3.2Å; H335-D340 IonicContact NE2-OD2 3.47Å
336M95.8Very high94.9Very high40 Ų4071.1 Ų71.120%0.19736%0.362CS..  trans-119.776.4-175-63.5-179.8-60.800108.9E308 K312 N338 C339 D340E308-M336 HydrophobicContact CB-CB 4.3Å; E308-M336 HydrophobicContact CB-CG 4.19Å; E308-M336 WeakPolarHBondContact OE2-CA 3.44Å; E308-M336 WeakPolarHBondContact OE2-CB 3.33Å; K312-M336 HydrophobicContact CB-SD 4.34Å; K312-M336 HydrophobicContact CD-CE 4.17Å; K312-M336 HydrophobicContact CD-CG 4.36Å; K312-M336 HydrophobicContact CD-SD 3.65Å; M336-N338 VanDerWaalsContact C-N 3.25Å; M336-N338 PolarHBondContact O-N 2.98Å; M336-C339 HydrophobicContact CB-CB 3.87Å; M336-C339 WeakPolarHBondContact O-CB 3.5Å; M336-C339 PolarHBondContact O-N 3.23Å; M336-D340 PolarHBondContact O-N 3.2Å
337P96.3Very high94.7Very high63 Ų6372.4 Ų72.441%0.40937%0.373SS..Hα-helixtrans-60.7-32.7-169.323.9-34.9000113.1E308 H335 R341E308-P337 WeakPolarHBondContact OE1-CD 3.4Å; H335-P337 VanDerWaalsContact O-CD 3.32Å; H335-P337 WeakPolarHBondContact O-CD 3.46Å; P337-R341 WeakPolarHBondContact O-CB 3.35Å; P337-R341 PolarHBondContact O-N 3.19Å
338N96.3Very high94.1Very high38 Ų3877.7 Ų77.720%0.20340%0.404CS..Hα-helixtrans-73-35.9178.1-66.8-78.1000111.4L301 R304 C305 E308 M336 L342L301-N338 HydrophobicContact CD1-CB 3.82Å; L301-N338 WeakPolarHBondContact CD1-OD1 3.33Å; R304-N338 HydrophobicContact CB-CB 3.92Å; C305-N338 HydrophobicContact CB-CB 4.49Å; E308-N338 PolarHBondContact OE1-N 3.45Å; E308-N338 PolarHBondContact OE1-ND2 3.4Å; E308-N338 WeakPolarHBondContact OE2-CB 3.45Å; E308-N338 PolarHBondContact OE2-N 3.4Å; E308-N338 VanDerWaalsContact OE2-N 3.11Å; M336-N338 VanDerWaalsContact C-N 3.25Å; M336-N338 PolarHBondContact O-N 2.98Å; N338-L342 VanDerWaalsContact O-CB 3.31Å; N338-L342 WeakPolarHBondContact O-CB 3.27Å; N338-L342 PolarHBondContact O-N 2.96Å
339C96.6Very high94Very high19 Ų1978.5 Ų78.513%0.12841%0.412CS..Hα-helixtrans-67.3-41172.9-67.90000112.6C305 E308 M336 L342 S343C305-C339 VanDerWaalsContact C-SG 3.59Å; C305-C339 WeakPolarHBondContact CA-SG 3.28Å; C305-C339 HydrophobicContact CB-CB 3.95Å; C305-C339 WeakPolarHBondContact CB-SG 3.3Å; C305-C339 PolarHBondContact O-SG 3.28Å; C305-C339 WeakPolarHBondContact SG-CA 3.19Å; C305-C339 WeakPolarHBondContact SG-CB 3.26Å; C305-C339 CovalentContact SG-SG 2.04Å; C305-C339 PolarHBondContact SG-SG 3.28Å; E308-C339 PolarHBondContact OE2-N 2.91Å; M336-C339 HydrophobicContact CB-CB 3.87Å; M336-C339 WeakPolarHBondContact O-CB 3.5Å; M336-C339 PolarHBondContact O-N 3.23Å; C339-L342 PolarHBondContact O-N 3.47Å; C339-S343 PolarHBondContact O-N 3.04Å
340D96.1Very high93.9Very high72 Ų7278.1 Ų78.139%0.38541%0.409SS..Hα-helixtrans-64-46.6178.6-65.3-18.4000109.9H335 M336 L342 S343 E344H335-D340 IonicContact CE1-OD2 3.31Å; H335-D340 PolarHBondContact CE1-OD2 3.05Å; H335-D340 IonicContact ND1-OD2 2.7Å; H335-D340 PolarHBondContact ND1-OD2 3.2Å; H335-D340 IonicContact NE2-OD2 3.47Å; M336-D340 PolarHBondContact O-N 3.2Å; D340-L342 VanDerWaalsContact C-N 3.31Å; D340-L342 PolarHBondContact O-N 2.98Å; D340-S343 PolarHBondContact O-N 3.4Å; D340-S343 VanDerWaalsContact O-N 3.15Å; D340-S343 PolarHBondContact O-OG 3.41Å; D340-E344 PolarHBondContact O-N 3.22Å
341R94.4Very high93.8Very high72 Ų7272.9 Ų72.927%0.27240%0.396SS..Hα-helixtrans-61.7-37.2174.8-174.858.5179.1165.65.7112.9H268 L301 P337 S343 E344 I345H268-R341 PolarHBondContact O-NH2 3.27Å; L301-R341 HydrophobicContact CD1-CB 4.38Å; L301-R341 HydrophobicContact CD1-CG 4.45Å; L301-R341 HydrophobicContact CD2-CB 4.14Å; L301-R341 HydrophobicContact CD2-CG 3.89Å; P337-R341 WeakPolarHBondContact O-CB 3.35Å; P337-R341 PolarHBondContact O-N 3.19Å; R341-S343 VanDerWaalsContact C-N 3.34Å; R341-E344 WeakPolarHBondContact CD-OE2 3.4Å; R341-E344 IonicContact CZ-OE2 2.73Å; R341-E344 IonicContact NH1-OE1 3.71Å; R341-E344 PolarHBondContact NH1-OE1 3.35Å; R341-E344 IonicContact NH1-OE2 3.27Å; R341-E344 PolarHBondContact NH1-OE2 2.86Å; R341-E344 PolarHBondContact O-N 2.76Å; R341-I345 HydrophobicContact CG-CD1 4.25Å; R341-I345 WeakPolarHBondContact O-CG1 3.26Å; R341-I345 PolarHBondContact O-N 2.93Å
342L95.6Very high93.7Very high18 Ų1877 Ų779%0.09442%0.418CS..Hα-helixtrans-66-40.1176.5-179.565.5000111.1I298 L301 R302 C305 N338 C339 D340 E344 I345 L346I298-L342 HydrophobicContact CG2-CD1 4.09Å; L301-L342 HydrophobicContact CD2-CB 3.78Å; L301-L342 HydrophobicContact CD2-CD1 4.13Å; L301-L342 HydrophobicContact CG-CB 4.02Å; L301-L342 HydrophobicContact CG-CD1 4.46Å; R302-L342 HydrophobicContact CB-CD2 4.45Å; R302-L342 HydrophobicContact CG-CD1 3.81Å; R302-L342 HydrophobicContact CG-CD2 3.75Å; R302-L342 HydrophobicContact CG-CG 4.46Å; C305-L342 HydrophobicContact CB-CD2 4.18Å; N338-L342 VanDerWaalsContact O-CB 3.31Å; N338-L342 WeakPolarHBondContact O-CB 3.27Å; N338-L342 PolarHBondContact O-N 2.96Å; C339-L342 PolarHBondContact O-N 3.47Å; D340-L342 VanDerWaalsContact C-N 3.31Å; D340-L342 PolarHBondContact O-N 2.98Å; L342-E344 VanDerWaalsContact C-N 3.33Å; L342-I345 PolarHBondContact O-N 2.9Å; L342-L346 HydrophobicContact CD1-CD1 4.18Å; L342-L346 HydrophobicContact CD1-CG 4.35Å; L342-L346 HydrophobicContact CG-CD1 3.98Å; L342-L346 WeakPolarHBondContact O-CB 3.46Å; L342-L346 VanDerWaalsContact O-CG 3.27Å; L342-L346 WeakPolarHBondContact O-CG 3.5Å; L342-L346 PolarHBondContact O-N 3.49Å
343S94.8Very high93.7Very high69 Ų6974.6 Ų74.648%0.48341%0.408SS..Hα-helixtrans-65.9-36.5177.874.70000112.3C339 D340 R341 L346 A347C339-S343 PolarHBondContact O-N 3.04Å; D340-S343 PolarHBondContact O-N 3.4Å; D340-S343 VanDerWaalsContact O-N 3.15Å; D340-S343 PolarHBondContact O-OG 3.41Å; R341-S343 VanDerWaalsContact C-N 3.34Å; S343-L346 PolarHBondContact O-N 3.06Å; S343-A347 WeakPolarHBondContact O-CB 3.42Å; S343-A347 PolarHBondContact O-N 2.78Å; S343-A347 VanDerWaalsContact O-N 3.09Å
344E94Very high93.6Very high109 Ų10968.8 Ų68.851%0.50939%0.385SS..Hα-helixtrans-62.6-46.6175.4-169.3-170.6165.100111.4D340 R341 L342 L346 A347 T348D340-E344 PolarHBondContact O-N 3.22Å; R341-E344 WeakPolarHBondContact CD-OE2 3.4Å; R341-E344 IonicContact CZ-OE2 2.73Å; R341-E344 IonicContact NH1-OE1 3.71Å; R341-E344 PolarHBondContact NH1-OE1 3.35Å; R341-E344 IonicContact NH1-OE2 3.27Å; R341-E344 PolarHBondContact NH1-OE2 2.86Å; R341-E344 PolarHBondContact O-N 2.76Å; L342-E344 VanDerWaalsContact C-N 3.33Å; E344-L346 VanDerWaalsContact C-N 3.34Å; E344-L346 PolarHBondContact O-N 2.9Å; E344-A347 PolarHBondContact O-N 3.22Å; E344-T348 PolarHBondContact O-N 3.39Å
345I91.4Very high93.5Very high8 Ų869.5 Ų69.54%0.04139%0.391CS..Hα-helixtrans-68.3-31.7178.8-67.1169.4000112.1Y297 I298 L301 R341 L342 A347 T348Y297-I345 HydrophobicContact CD1-CD1 4.22Å; Y297-I345 HydrophobicContact CE1-CD1 3.72Å; I298-I345 HydrophobicContact CD1-CG2 3.76Å; I298-I345 HydrophobicContact CG1-CG2 3.97Å; L301-I345 HydrophobicContact CD2-CD1 3.98Å; R341-I345 HydrophobicContact CG-CD1 4.25Å; R341-I345 WeakPolarHBondContact O-CG1 3.26Å; R341-I345 PolarHBondContact O-N 2.93Å; L342-I345 PolarHBondContact O-N 2.9Å; I345-A347 VanDerWaalsContact C-N 3.3Å; I345-T348 PolarHBondContact O-OG1 3.34Å
346L90.5Very high93.4Very high105 Ų10564.8 Ų64.855%0.5537%0.374SS..Hα-helixtrans-80.8-12.2176.9-68174.6000113.3L342 S343 E344L342-L346 HydrophobicContact CD1-CD1 4.18Å; L342-L346 HydrophobicContact CD1-CG 4.35Å; L342-L346 HydrophobicContact CG-CD1 3.98Å; L342-L346 WeakPolarHBondContact O-CB 3.46Å; L342-L346 VanDerWaalsContact O-CG 3.27Å; L342-L346 WeakPolarHBondContact O-CG 3.5Å; L342-L346 PolarHBondContact O-N 3.49Å; S343-L346 PolarHBondContact O-N 3.06Å; E344-L346 VanDerWaalsContact C-N 3.34Å; E344-L346 PolarHBondContact O-N 2.9Å
347A90Very high93.2Very high87 Ų8766.8 Ų66.872%0.71939%0.389SS*.Hα-helixtrans-90.2-18.6178.600000113.2S343 E344 I345S343-A347 WeakPolarHBondContact O-CB 3.42Å; S343-A347 PolarHBondContact O-N 2.78Å; S343-A347 VanDerWaalsContact O-N 3.09Å; E344-A347 PolarHBondContact O-N 3.22Å; I345-A347 VanDerWaalsContact C-N 3.3Å
348T82.8Confident93Very high142 Ų14267.2 Ų67.287%0.87139%0.387SS*.  trans-83.1017149.20000111.3H268 E344 I345H268-T348 PolarHBondContact CD2-OG1 3.47Å; H268-T348 PolarHBondContact NE2-OG1 3.43Å; E344-T348 PolarHBondContact O-N 3.39Å; I345-T348 PolarHBondContact O-OG1 3.34Å

Retrieved 348 of 348 residues in 493.2 ms (Link to these results)

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