A0A087Y184_POEFO Loading...

EH domain containing 2

AlphaFold DB , UniProt , Accession A0A087Y184, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 540 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
1M36.2Very low33.8Very low252 Ų252188 Ų188100%1.24189%0.889SS**  0135.60-66.5170179.900107.4
2S34.9Very low33.6Very low113 Ų113179.3 Ų179.379%0.7987%0.873SS**  cis-153.5140.6-1.5167.80000105.9
3R34.9Very low34.1Very low243 Ų243174.5 Ų174.592%0.91786%0.864SS**  trans-88.5110.5-177.6-166.1176.6179-172.40.4107.5G5R3-G5 PolarHBondContact O-N 2.94Å
4W36.6Very low34.7Very low258 Ų258171.7 Ų171.798%0.97785%0.847SS**  trans-79.4107.2178.7-119.4-4.1000110.6
5G31.9Very low35.5Very low65 Ų65168.2 Ų168.267%0.6784%0.839SS**  trans-72.8123.6176.400000112.1R3 K7R3-G5 PolarHBondContact O-N 2.94Å; G5-K7 PolarHBondContact O-N 2.99Å; G5-K7 VanDerWaalsContact O-N 3.17Å
6R33.2Very low36.7Very low252 Ų252162.3 Ų162.395%0.95181%0.81SS**  trans-63.7108.4158.1-83.7179.5175170.5-1.6108N8R6-N8 PolarHBondContact O-N 3.33Å
7K32.6Very low38.4Very low199 Ų199165.1 Ų165.187%0.86581%0.809SS**  trans-65.4112.8168.3-79.4-179.4175178.20108.4G5 V9G5-K7 PolarHBondContact O-N 2.99Å; G5-K7 VanDerWaalsContact O-N 3.17Å; K7-V9 PolarHBondContact O-N 3.17Å
8N30.8Very low40.8Very low160 Ų160158.9 Ų158.986%0.85678%0.782SS**  trans-58.3104.3161.3-100.6-14.3000108.1R6 K10R6-N8 PolarHBondContact O-N 3.33Å; N8-K10 PolarHBondContact O-N 3.04Å
9V34.1Very low43Very low132 Ų132150.5 Ų150.580%0.874%0.741SS**  trans-70.698.9163.5-179.30000106K7 K11K7-V9 PolarHBondContact O-N 3.17Å; V9-K11 PolarHBondContact O-N 3.06Å; V9-K11 VanDerWaalsContact O-N 3.11Å
10K32.5Very low45.2Very low194 Ų194144.5 Ų144.584%0.84371%0.713SS**  trans-58.1114.1166.4-76.2-177.6174.5-1780106.7N8 A12N8-K10 PolarHBondContact O-N 3.04Å; K10-A12 PolarHBondContact O-N 3.44Å
11K34.1Very low47.2Very low200 Ų200142 Ų14287%0.8770%0.7SS**PPolyproline II helixtrans-54.2121.9166.3-81.7-177.3172.8-176.10107V9V9-K11 PolarHBondContact O-N 3.06Å; V9-K11 VanDerWaalsContact O-N 3.11Å
12A31.3Very low49.8Very low84 Ų84130 Ų13069%0.69464%0.64SS**PPolyproline II helixtrans-55.3143.617000000108.8K10 E14K10-A12 PolarHBondContact O-N 3.44Å; A12-E14 PolarHBondContact O-N 3.14Å
13P40.8Very low52.5Low116 Ų116124.6 Ų124.675%0.75360%0.603SS**PPolyproline II helixtrans-57.6128.2174.523.7-30.6000108.6V15P13-V15 PolarHBondContact O-N 2.7Å
14E42.6Very low55.3Low136 Ų136114.4 Ų114.464%0.63657%0.565SS**  trans-54115.8167.3-87.1172.8158.600107A12 I16 K29A12-E14 PolarHBondContact O-N 3.14Å; E14-I16 VanDerWaalsContact C-N 3.34Å; E14-I16 PolarHBondContact O-N 2.76Å; E14-K29 IonicContact OE2-NZ 3.26Å; E14-K29 PolarHBondContact OE2-NZ 3.48Å
15V45.7Very low58Low119 Ų119103.4 Ų103.472%0.72153%0.527SS*.  trans-69.597.9173.9-178.40000106P13 R17P13-V15 PolarHBondContact O-N 2.7Å; V15-R17 PolarHBondContact O-N 2.69Å
16I55.1Low61Low73 Ų73101.3 Ų101.337%0.37450%0.501SS..  trans-64.8115.9171.4-64170.9000106.3E14 T18E14-I16 VanDerWaalsContact C-N 3.34Å; E14-I16 PolarHBondContact O-N 2.76Å; I16-T18 WeakPolarHBondContact CG2-O 3.35Å
17R66.1Low63.9Low210 Ų21089.4 Ų89.479%0.79246%0.456SS*.  trans-90.6-27-177.2-68.8-179.6174.5170.8-2.8112.7V15 E21V15-R17 PolarHBondContact O-N 2.69Å; R17-E21 PolarHBondContact N-OE2 2.89Å
18T80.6Confident66.9Low54 Ų5485.8 Ų85.833%0.33144%0.437SS..SBendtrans-137156.7176.9660000111.8I16 T20 E21 G22 E398I16-T18 WeakPolarHBondContact CG2-O 3.35Å; T18-T20 VanDerWaalsContact C-N 3.26Å; T18-T20 PolarHBondContact O-N 2.76Å; T18-E21 PolarHBondContact O-N 3.44Å; T18-E21 WeakPolarHBondContact OG1-CG 3.49Å; T18-E21 PolarHBondContact OG1-N 2.87Å; T18-G22 PolarHBondContact O-N 3.42Å; T18-G22 VanDerWaalsContact O-N 3.08Å; T18-E398 WeakPolarHBondContact CA-OE1 3.31Å; T18-E398 WeakPolarHBondContact CB-OE1 3.45Å
19V83.6Confident70Confident0 Ų083.9 Ų83.90%042%0.421CS..Hα-helixtrans-58.7-40.4175.11750000110.7E21 G22 L23 A288 L394 L395 E398V19-E21 PolarHBondContact O-N 3.38Å; V19-G22 CarbonylContact O-C 3.36Å; V19-G22 WeakPolarHBondContact O-CA 3.34Å; V19-G22 PolarHBondContact O-N 3.44Å; V19-G22 VanDerWaalsContact O-N 3.09Å; V19-L23 HydrophobicContact CG1-CD1 4.12Å; V19-L23 HydrophobicContact CG1-CG 4.18Å; V19-L23 WeakPolarHBondContact O-CG 3.28Å; V19-L23 PolarHBondContact O-N 3.01Å; V19-A288 HydrophobicContact CB-CB 4.47Å; V19-A288 HydrophobicContact CG1-CB 4.34Å; V19-L394 HydrophobicContact CG2-CB 3.95Å; V19-L395 HydrophobicContact CG1-CD1 4.24Å; V19-L395 HydrophobicContact CG2-CB 4.13Å; V19-L395 HydrophobicContact CG2-CD1 4.39Å; V19-E398 WeakPolarHBondContact CB-OE2 3.45Å; V19-E398 HydrophobicContact CG2-CG 4.39Å; V19-E398 WeakPolarHBondContact CG2-OE2 3.28Å; V19-E398 PolarHBondContact N-OE1 3.49Å
20T85.9Confident72.9Confident29 Ų2979.1 Ų79.118%0.17839%0.39CS..Hα-helixtrans-60.2-44.8178.7-58.20000112.3T18 G22 L23 K24 F53T18-T20 VanDerWaalsContact C-N 3.26Å; T18-T20 PolarHBondContact O-N 2.76Å; T20-G22 VanDerWaalsContact C-N 3.31Å; T20-G22 PolarHBondContact O-N 3.47Å; T20-L23 PolarHBondContact O-N 3.11Å; T20-K24 WeakPolarHBondContact O-CB 3.2Å; T20-K24 PolarHBondContact O-N 3.48Å; T20-F53 HydrophobicContact CG2-CB 4.03Å; T20-F53 WeakPolarHBondContact CG2-O 3.03Å
21E88.2Confident76Confident92 Ų9269.9 Ų69.943%0.4335%0.349SS..Hα-helixtrans-62.2-39.9173.4-75.2179.4172.800111.8R17 T18 V19 K24 S25R17-E21 PolarHBondContact N-OE2 2.89Å; T18-E21 PolarHBondContact O-N 3.44Å; T18-E21 WeakPolarHBondContact OG1-CG 3.49Å; T18-E21 PolarHBondContact OG1-N 2.87Å; V19-E21 PolarHBondContact O-N 3.38Å; E21-K24 PolarHBondContact O-N 3.32Å; E21-S25 WeakPolarHBondContact O-CB 3.38Å; E21-S25 PolarHBondContact O-N 3.2Å
22G90.5Very high79Confident0 Ų061.9 Ų61.90%032%0.316CS..Hα-helixtrans-58.7-50174.900000112.2T18 V19 T20 K24 S25 L26T18-G22 PolarHBondContact O-N 3.42Å; T18-G22 VanDerWaalsContact O-N 3.08Å; V19-G22 CarbonylContact O-C 3.36Å; V19-G22 WeakPolarHBondContact O-CA 3.34Å; V19-G22 PolarHBondContact O-N 3.44Å; V19-G22 VanDerWaalsContact O-N 3.09Å; T20-G22 VanDerWaalsContact C-N 3.31Å; T20-G22 PolarHBondContact O-N 3.47Å; G22-K24 PolarHBondContact O-N 2.97Å; G22-S25 PolarHBondContact O-N 3.06Å; G22-L26 WeakPolarHBondContact O-CB 3.46Å; G22-L26 VanDerWaalsContact O-CG 3.31Å; G22-L26 WeakPolarHBondContact O-CG 3.16Å; G22-L26 PolarHBondContact O-N 2.95Å
23L91.7Very high82.1Confident0 Ų060 Ų600%030%0.297CS..Hα-helixtrans-59.8-45.5177.5-68.1175.6000111.8V19 T20 S25 L26 Y27 F53 K291 L292 L295 L391V19-L23 HydrophobicContact CG1-CD1 4.12Å; V19-L23 HydrophobicContact CG1-CG 4.18Å; V19-L23 WeakPolarHBondContact O-CG 3.28Å; V19-L23 PolarHBondContact O-N 3.01Å; T20-L23 PolarHBondContact O-N 3.11Å; L23-S25 PolarHBondContact O-N 3.43Å; L23-L26 PolarHBondContact O-N 3.24Å; L23-Y27 WeakPolarHBondContact O-CB 3.39Å; L23-Y27 PolarHBondContact O-N 3.42Å; L23-F53 HydrophobicContact CB-CD1 4.33Å; L23-F53 HydrophobicContact CB-CE1 4.28Å; L23-K291 HydrophobicContact CD1-CB 3.93Å; L23-L292 HydrophobicContact CD1-CB 4.22Å; L23-L292 HydrophobicContact CD2-CB 4.17Å; L23-L292 HydrophobicContact CD2-CD1 3.55Å; L23-L292 HydrophobicContact CD2-CG 4.49Å; L23-L295 HydrophobicContact CB-CD2 4.32Å; L23-L295 HydrophobicContact CD2-CD2 3.77Å; L23-L391 HydrophobicContact CD2-CD1 3.79Å; L23-L391 HydrophobicContact CG-CD1 4.32Å
24K92.6Very high84.7Confident30 Ų3054.6 Ų54.613%0.1326%0.261CS..Hα-helixtrans-60.7-43.7177.7-172.9176-174.2171.10112T20 E21 G22 R28 D50 F53 D54T20-K24 WeakPolarHBondContact O-CB 3.2Å; T20-K24 PolarHBondContact O-N 3.48Å; E21-K24 PolarHBondContact O-N 3.32Å; G22-K24 PolarHBondContact O-N 2.97Å; K24-R28 WeakPolarHBondContact O-CG 3.48Å; K24-R28 PolarHBondContact O-N 3.35Å; K24-R28 VanDerWaalsContact O-N 3.12Å; K24-D50 WeakPolarHBondContact CE-OD1 3.35Å; K24-D50 WeakPolarHBondContact CE-OD2 3.33Å; K24-D50 IonicContact NZ-OD1 2.78Å; K24-D50 IonicContact NZ-OD2 2.61Å; K24-D50 PolarHBondContact NZ-OD2 3.1Å; K24-F53 HydrophobicContact CB-CB 4.47Å; K24-F53 HydrophobicContact CB-CD1 4.22Å; K24-F53 HydrophobicContact CB-CD2 4.3Å; K24-F53 HydrophobicContact CB-CG 4.07Å; K24-F53 HydrophobicContact CD-CB 4.45Å; K24-F53 HydrophobicContact CG-CD2 4.07Å; K24-F53 HydrophobicContact CG-CE2 4.49Å; K24-F53 HydrophobicContact CG-CG 4.26Å; K24-D54 IonicContact NZ-OD1 3.71Å; K24-D54 IonicContact NZ-OD2 3.98Å; K24-D54 PolarHBondContact NZ-OD2 3.07Å
25S93.8Very high87.3Confident26 Ų2648.2 Ų48.218%0.18223%0.232CC..Hα-helixtrans-63.5-46.1176.2-168.50000111.6E21 G22 L23 R28 K29E21-S25 WeakPolarHBondContact O-CB 3.38Å; E21-S25 PolarHBondContact O-N 3.2Å; G22-S25 PolarHBondContact O-N 3.06Å; L23-S25 PolarHBondContact O-N 3.43Å; S25-R28 PolarHBondContact O-N 2.81Å; S25-K29 WeakPolarHBondContact O-CB 3.26Å; S25-K29 VanDerWaalsContact O-CG 3.32Å; S25-K29 WeakPolarHBondContact O-CG 3.46Å; S25-K29 PolarHBondContact O-N 3Å; S25-K29 PolarHBondContact OG-NZ 3.12Å
26L94.6Very high89.7Confident22 Ų2248.2 Ų48.212%0.11522%0.224CC..Hα-helixtrans-63.9-44.5177.8-74.6175.8000112.3G22 L23 R28 K29 K30 L383 D387 L391G22-L26 WeakPolarHBondContact O-CB 3.46Å; G22-L26 VanDerWaalsContact O-CG 3.31Å; G22-L26 WeakPolarHBondContact O-CG 3.16Å; G22-L26 PolarHBondContact O-N 2.95Å; L23-L26 PolarHBondContact O-N 3.24Å; L26-R28 PolarHBondContact O-N 3.11Å; L26-K29 PolarHBondContact O-N 3.16Å; L26-K30 HydrophobicContact CD2-CD 4.42Å; L26-K30 WeakPolarHBondContact O-CB 3.02Å; L26-K30 PolarHBondContact O-N 3.34Å; L26-L383 HydrophobicContact CB-CD1 3.69Å; L26-L383 HydrophobicContact CD1-CD1 3.8Å; L26-L383 HydrophobicContact CD2-CD1 3.96Å; L26-L383 HydrophobicContact CG-CD1 4.02Å; L26-D387 HydrophobicContact CD1-CB 3.95Å; L26-D387 HydrophobicContact CD2-CB 3.71Å; L26-L391 HydrophobicContact CD1-CD1 3.62Å; L26-L391 HydrophobicContact CD1-CG 4.42Å
27Y95.6Very high91.7Very high1 Ų147.3 Ų47.30%0.00422%0.216CC..Iπ-helixtrans-55.1-55.2175.1173.4-107.5000111L23 K29 L31 L32 E35 S47 L48 F53 L295L23-Y27 WeakPolarHBondContact O-CB 3.39Å; L23-Y27 PolarHBondContact O-N 3.42Å; Y27-K29 VanDerWaalsContact C-N 3.35Å; Y27-K29 PolarHBondContact O-N 3.06Å; Y27-L31 HydrophobicContact CD2-CB 3.9Å; Y27-L31 HydrophobicContact CD2-CD2 3.83Å; Y27-L31 HydrophobicContact CD2-CG 4.21Å; Y27-L31 HydrophobicContact CE2-CB 4.29Å; Y27-L31 HydrophobicContact CE2-CD2 4.03Å; Y27-L31 HydrophobicContact CE2-CG 4.26Å; Y27-L31 PolarHBondContact O-N 3.43Å; Y27-L32 HydrophobicContact CE1-CB 4.08Å; Y27-L32 HydrophobicContact CE1-CD1 4.26Å; Y27-L32 HydrophobicContact CE1-CD2 4.46Å; Y27-L32 WeakPolarHBondContact O-CB 3.42Å; Y27-L32 PolarHBondContact O-N 2.84Å; Y27-L32 WeakPolarHBondContact OH-CD1 3.43Å; Y27-E35 WeakPolarHBondContact CE2-OE1 3.22Å; Y27-E35 PolarHBondContact OH-OE2 3.3Å; Y27-S47 VanDerWaalsContact OH-CA 3.3Å; Y27-S47 WeakPolarHBondContact OH-CA 3.41Å; Y27-S47 WeakPolarHBondContact OH-CB 3.49Å; Y27-L48 HydrophobicContact CD1-CB 4.16Å; Y27-L48 HydrophobicContact CD2-CD1 4.09Å; Y27-L48 HydrophobicContact CE1-CB 3.63Å; Y27-L48 HydrophobicContact CE1-CG 4.34Å; Y27-L48 WeakPolarHBondContact CE1-O 3.35Å; Y27-L48 HydrophobicContact CE2-CB 4.28Å; Y27-L48 HydrophobicContact CE2-CD1 3.99Å; Y27-L48 HydrophobicContact CE2-CG 4.09Å; Y27-L48 HydrophobicContact CG-CD1 4.48Å; Y27-L48 PolarHBondContact OH-N 2.85Å; Y27-F53 AromaticContact CD1-CE2 3.99Å; Y27-F53 HydrophobicContact CD1-CE2 3.99Å; Y27-F53 AromaticContact CD1-CZ 3.89Å; Y27-F53 HydrophobicContact CD1-CZ 3.89Å; Y27-F53 HydrophobicContact CG-CE2 4.34Å; Y27-F53 AromaticContact CG-CZ 3.77Å; Y27-F53 HydrophobicContact CG-CZ 3.77Å; Y27-L295 HydrophobicContact CD2-CD1 3.82Å; Y27-L295 HydrophobicContact CG-CD1 4.37Å
28R95.3Very high93.1Very high123 Ų12337.7 Ų37.746%0.46418%0.18SC..Iπ-helixtrans-62.4-39-177.6-74.2172.6167.4-176.5-11.5113.2K24 S25 L26 P33 D50K24-R28 WeakPolarHBondContact O-CG 3.48Å; K24-R28 PolarHBondContact O-N 3.35Å; K24-R28 VanDerWaalsContact O-N 3.12Å; S25-R28 PolarHBondContact O-N 2.81Å; L26-R28 PolarHBondContact O-N 3.11Å; R28-P33 WeakPolarHBondContact O-CD 3.44Å; R28-D50 IonicContact CZ-OD1 2.74Å; R28-D50 VanDerWaalsContact CZ-OD1 3.26Å; R28-D50 IonicContact CZ-OD2 2.72Å; R28-D50 IonicContact NE-OD1 3.27Å; R28-D50 IonicContact NH2-OD1 3.08Å; R28-D50 PolarHBondContact NH2-OD1 3.38Å; R28-D50 IonicContact NH2-OD2 3.17Å; R28-D50 PolarHBondContact NH2-OD2 3Å
29K95.4Very high93.8Very high120 Ų12035.7 Ų35.752%0.52217%0.17SC..Iπ-helixtrans-82.9-37.4-174.6-72.1173.3-178.5161.80113.2E14 S25 L26 Y27E14-K29 IonicContact OE2-NZ 3.26Å; E14-K29 PolarHBondContact OE2-NZ 3.48Å; S25-K29 WeakPolarHBondContact O-CB 3.26Å; S25-K29 VanDerWaalsContact O-CG 3.32Å; S25-K29 WeakPolarHBondContact O-CG 3.46Å; S25-K29 PolarHBondContact O-N 3Å; S25-K29 PolarHBondContact OG-NZ 3.12Å; L26-K29 PolarHBondContact O-N 3.16Å; Y27-K29 VanDerWaalsContact C-N 3.35Å; Y27-K29 PolarHBondContact O-N 3.06Å
30K95.9Very high94.3Very high32 Ų3235.8 Ų35.814%0.13917%0.17CC..Iπ-helixtrans-116-32.6-167.6-58.8-162175.5-164.40114.2L26 A379 E382 L383 D387L26-K30 HydrophobicContact CD2-CD 4.42Å; L26-K30 WeakPolarHBondContact O-CB 3.02Å; L26-K30 PolarHBondContact O-N 3.34Å; K30-A379 HydrophobicContact CB-CB 4.43Å; K30-A379 WeakPolarHBondContact CD-O 3.43Å; K30-A379 HydrophobicContact CG-CB 4.45Å; K30-E382 IonicContact NZ-OE1 3.99Å; K30-E382 PolarHBondContact NZ-OE1 3.31Å; K30-E382 IonicContact NZ-OE2 3.61Å; K30-E382 PolarHBondContact NZ-OE2 3.13Å; K30-L383 HydrophobicContact CB-CB 4.36Å; K30-L383 HydrophobicContact CD-CB 4.17Å; K30-D387 WeakPolarHBondContact CD-OD2 3.5Å; K30-D387 WeakPolarHBondContact CE-OD2 3.37Å; K30-D387 IonicContact NZ-OD1 3.6Å; K30-D387 IonicContact NZ-OD2 3.52Å; K30-D387 PolarHBondContact NZ-OD2 2.84Å
31L96.3Very high94.5Very high0 Ų038.3 Ų38.30%018%0.18CC..Iπ-helixtrans-98.4-48.4-176.5-166.962.2000113.3Y27 P33 L34 E35 L295 R298 A299 V302 L380 L383Y27-L31 HydrophobicContact CD2-CB 3.9Å; Y27-L31 HydrophobicContact CD2-CD2 3.83Å; Y27-L31 HydrophobicContact CD2-CG 4.21Å; Y27-L31 HydrophobicContact CE2-CB 4.29Å; Y27-L31 HydrophobicContact CE2-CD2 4.03Å; Y27-L31 HydrophobicContact CE2-CG 4.26Å; Y27-L31 PolarHBondContact O-N 3.43Å; L31-P33 VanDerWaalsContact C-CD 3.48Å; L31-L34 WeakPolarHBondContact O-CA 3.38Å; L31-L34 VanDerWaalsContact O-CB 3.3Å; L31-L34 WeakPolarHBondContact O-CB 3.35Å; L31-L34 PolarHBondContact O-N 3.37Å; L31-E35 PolarHBondContact O-N 3.41Å; L31-L295 HydrophobicContact CD2-CD1 3.81Å; L31-R298 HydrophobicContact CD2-CG 4.17Å; L31-A299 HydrophobicContact CD1-CB 4.06Å; L31-A299 HydrophobicContact CD2-CB 4.23Å; L31-V302 HydrophobicContact CD1-CB 3.86Å; L31-V302 HydrophobicContact CD1-CG1 3.65Å; L31-V302 HydrophobicContact CD1-CG2 4.11Å; L31-L380 HydrophobicContact CD1-CD1 3.54Å; L31-L383 HydrophobicContact CB-CD2 4.43Å
32L96.6Very high94.5Very high33 Ų3338 Ų3817%0.17318%0.182CC..Hα-helixtrans-55.5-42.1-177.7178.464.1000114.1Y27 L34 E35 Q36 S47Y27-L32 HydrophobicContact CE1-CB 4.08Å; Y27-L32 HydrophobicContact CE1-CD1 4.26Å; Y27-L32 HydrophobicContact CE1-CD2 4.46Å; Y27-L32 WeakPolarHBondContact O-CB 3.42Å; Y27-L32 PolarHBondContact O-N 2.84Å; Y27-L32 WeakPolarHBondContact OH-CD1 3.43Å; L32-L34 PolarHBondContact O-N 2.91Å; L32-E35 PolarHBondContact O-N 3.22Å; L32-Q36 HydrophobicContact CD1-CG 4.06Å; L32-Q36 HydrophobicContact CG-CG 4.45Å; L32-Q36 WeakPolarHBondContact O-CG 3.3Å; L32-Q36 PolarHBondContact O-N 3.35Å; L32-S47 WeakPolarHBondContact CD1-OG 3.43Å
33P97.1Very high94.4Very high45 Ų4538.3 Ų38.329%0.29218%0.183SC..Hα-helixtrans-61.9-30.2177.2-23.835.7000112.7R28 L31 Y37 L376R28-P33 WeakPolarHBondContact O-CD 3.44Å; L31-P33 VanDerWaalsContact C-CD 3.48Å; P33-Y37 VanDerWaalsContact O-CB 3.22Å; P33-Y37 WeakPolarHBondContact O-CB 3.37Å; P33-Y37 PolarHBondContact O-N 3.42Å; P33-Y37 VanDerWaalsContact O-N 3.1Å; P33-L376 HydrophobicContact CB-CD2 4.15Å
34L96.6Very high94.2Very high1 Ų140.8 Ų40.81%0.00519%0.194CC..Hα-helixtrans-75.9-44.1178.7-150148.8000110.7L31 L32 Q36 Y37 Y38 V302 A306 L376 M377 L380L31-L34 WeakPolarHBondContact O-CA 3.38Å; L31-L34 VanDerWaalsContact O-CB 3.3Å; L31-L34 WeakPolarHBondContact O-CB 3.35Å; L31-L34 PolarHBondContact O-N 3.37Å; L32-L34 PolarHBondContact O-N 2.91Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-Q36 PolarHBondContact O-N 2.91Å; L34-Y37 PolarHBondContact O-N 3.38Å; L34-Y38 HydrophobicContact CD2-CD2 3.53Å; L34-Y38 HydrophobicContact CD2-CE2 3.68Å; L34-Y38 HydrophobicContact CG-CD2 4.07Å; L34-Y38 HydrophobicContact CG-CE2 3.94Å; L34-Y38 WeakPolarHBondContact O-CD2 3.49Å; L34-Y38 PolarHBondContact O-N 2.79Å; L34-Y38 VanDerWaalsContact O-N 3.16Å; L34-V302 HydrophobicContact CB-CG1 4.24Å; L34-V302 HydrophobicContact CD2-CG1 3.42Å; L34-V302 VanDerWaalsContact CD2-CG1 3.42Å; L34-V302 HydrophobicContact CG-CG1 4.35Å; L34-A306 HydrophobicContact CD2-CB 3.67Å; L34-L376 HydrophobicContact CD1-CB 3.87Å; L34-L376 WeakPolarHBondContact CD1-O 3.33Å; L34-L376 HydrophobicContact CG-CB 4.2Å; L34-M377 HydrophobicContact CD1-SD 3.96Å; L34-L380 HydrophobicContact CD1-CB 4.07Å; L34-L380 HydrophobicContact CD1-CD2 4.03Å
35E96.3Very high93.7Very high2 Ų240.6 Ų40.61%0.00920%0.196CC..Hα-helixtrans-55.5-47.6173.6-71-177.8-174.200112.1Y27 L31 L32 G39 F40 R298 V302Y27-E35 WeakPolarHBondContact CE2-OE1 3.22Å; Y27-E35 PolarHBondContact OH-OE2 3.3Å; L31-E35 PolarHBondContact O-N 3.41Å; L32-E35 PolarHBondContact O-N 3.22Å; E35-G39 PolarHBondContact O-N 3.38Å; E35-F40 HydrophobicContact CB-CB 3.87Å; E35-F40 HydrophobicContact CB-CG 4.42Å; E35-F40 HydrophobicContact CG-CB 4.07Å; E35-F40 HydrophobicContact CG-CD1 4.03Å; E35-F40 HydrophobicContact CG-CG 4.09Å; E35-F40 WeakPolarHBondContact O-CB 3.25Å; E35-F40 PolarHBondContact O-N 3.09Å; E35-R298 VanDerWaalsContact CD-NH2 3.34Å; E35-R298 IonicContact OE1-CZ 3.35Å; E35-R298 IonicContact OE1-NE 3.77Å; E35-R298 PolarHBondContact OE1-NE 3.19Å; E35-R298 IonicContact OE1-NH2 3.68Å; E35-R298 PolarHBondContact OE1-NH2 3.27Å; E35-R298 IonicContact OE2-CZ 2.98Å; E35-R298 IonicContact OE2-NE 2.87Å; E35-R298 IonicContact OE2-NH2 2.93Å; E35-R298 PolarHBondContact OE2-NH2 3.2Å; E35-V302 HydrophobicContact CG-CG1 4.17Å; E35-V302 HydrophobicContact CG-CG2 3.71Å
36Q95.8Very high93.3Very high120 Ų12042.9 Ų42.956%0.56121%0.207SC*.Hα-helixtrans-67.3-39.9179.8-70.2177-14.500112L32 L34L32-Q36 HydrophobicContact CD1-CG 4.06Å; L32-Q36 HydrophobicContact CG-CG 4.45Å; L32-Q36 WeakPolarHBondContact O-CG 3.3Å; L32-Q36 PolarHBondContact O-N 3.35Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-Q36 PolarHBondContact O-N 2.91Å
37Y96.6Very high93.1Very high53 Ų5343.6 Ų43.621%0.20821%0.213CC..Hα-helixtrans-68.3-36.2-176.3-175.6-102.8000113.1P33 L34 K370 K373 L376P33-Y37 VanDerWaalsContact O-CB 3.22Å; P33-Y37 WeakPolarHBondContact O-CB 3.37Å; P33-Y37 PolarHBondContact O-N 3.42Å; P33-Y37 VanDerWaalsContact O-N 3.1Å; L34-Y37 PolarHBondContact O-N 3.38Å; Y37-K370 HydrophobicContact CD1-CB 4.1Å; Y37-K370 HydrophobicContact CD1-CG 4.37Å; Y37-K370 HydrophobicContact CD2-CG 4.48Å; Y37-K370 HydrophobicContact CE1-CB 3.43Å; Y37-K370 VanDerWaalsContact CE1-CB 3.43Å; Y37-K370 HydrophobicContact CE1-CG 3.99Å; Y37-K370 HydrophobicContact CE2-CB 4.3Å; Y37-K370 HydrophobicContact CE2-CD 4.38Å; Y37-K370 HydrophobicContact CE2-CG 4.07Å; Y37-K370 VanDerWaalsContact O-CG 3.27Å; Y37-K370 WeakPolarHBondContact O-CG 3.39Å; Y37-K373 HydrophobicContact CD1-CD 4.16Å; Y37-K373 HydrophobicContact CD2-CD 4.18Å; Y37-K373 HydrophobicContact CE1-CB 4.17Å; Y37-K373 HydrophobicContact CE1-CD 3.65Å; Y37-K373 HydrophobicContact CE1-CG 3.76Å; Y37-K373 HydrophobicContact CE2-CD 3.7Å; Y37-K373 HydrophobicContact CG-CD 4.39Å; Y37-K373 VanDerWaalsContact OH-CE 3.29Å; Y37-K373 WeakPolarHBondContact OH-CE 3.22Å; Y37-L376 HydrophobicContact CD1-CD1 4.03Å; Y37-L376 HydrophobicContact CG-CD1 3.95Å
38Y96.6Very high92.7Very high9 Ų945.5 Ų45.54%0.03522%0.223CC..THydrogen-bonded Turntrans-101.512.1179.8-61.6-75.7000114.4L34 F40 H305 A306 I309 S310 K370 L372 K373L34-Y38 HydrophobicContact CD2-CD2 3.53Å; L34-Y38 HydrophobicContact CD2-CE2 3.68Å; L34-Y38 HydrophobicContact CG-CD2 4.07Å; L34-Y38 HydrophobicContact CG-CE2 3.94Å; L34-Y38 WeakPolarHBondContact O-CD2 3.49Å; L34-Y38 PolarHBondContact O-N 2.79Å; L34-Y38 VanDerWaalsContact O-N 3.16Å; Y38-F40 VanDerWaalsContact C-N 3.33Å; Y38-F40 PolarHBondContact O-N 3.27Å; Y38-H305 PolarHBondContact O-NE2 3.25Å; Y38-A306 HydrophobicContact CD1-CB 4.46Å; Y38-A306 HydrophobicContact CD2-CB 3.57Å; Y38-A306 HydrophobicContact CE1-CB 4.45Å; Y38-A306 HydrophobicContact CE2-CB 3.53Å; Y38-A306 HydrophobicContact CG-CB 4.05Å; Y38-I309 HydrophobicContact CD1-CB 4.33Å; Y38-I309 HydrophobicContact CD1-CG2 4.11Å; Y38-S310 VanDerWaalsContact CE1-OG 3.3Å; Y38-S310 WeakPolarHBondContact CE1-OG 3.27Å; Y38-K370 HydrophobicContact CD1-CB 4.24Å; Y38-K370 HydrophobicContact CE1-CB 4.25Å; Y38-L372 WeakPolarHBondContact OH-CA 3.45Å; Y38-K373 PolarHBondContact OH-N 3.48Å
39G94.2Very high92.3Very high12 Ų1242.7 Ų42.712%0.12422%0.215CC..THydrogen-bonded Turntrans62.437.6176.900000113.3E35 H41 D42 F43E35-G39 PolarHBondContact O-N 3.38Å; G39-H41 PolarHBondContact O-N 3.38Å; G39-H41 VanDerWaalsContact O-N 3.16Å; G39-D42 WeakPolarHBondContact O-CB 3.48Å; G39-D42 PolarHBondContact O-N 3.4Å; G39-F43 WeakPolarHBondContact O-CD2 3.4Å
40F94.4Very high91.9Very high2 Ų239.7 Ų39.71%0.00921%0.205CC..G310 helixtrans-55.9-35-175.1-177.7-97.3000113.3E35 Y38 D42 F43 H44 L301 V302 H305E35-F40 HydrophobicContact CB-CB 3.87Å; E35-F40 HydrophobicContact CB-CG 4.42Å; E35-F40 HydrophobicContact CG-CB 4.07Å; E35-F40 HydrophobicContact CG-CD1 4.03Å; E35-F40 HydrophobicContact CG-CG 4.09Å; E35-F40 WeakPolarHBondContact O-CB 3.25Å; E35-F40 PolarHBondContact O-N 3.09Å; Y38-F40 VanDerWaalsContact C-N 3.33Å; Y38-F40 PolarHBondContact O-N 3.27Å; F40-D42 VanDerWaalsContact C-N 3.26Å; F40-D42 PolarHBondContact O-N 3.02Å; F40-F43 PolarHBondContact O-N 2.98Å; F40-H44 HydrophobicContact CD1-CB 4.22Å; F40-H44 HydrophobicContact CD2-CB 4.31Å; F40-H44 AromaticContact CD2-CD2 3.44Å; F40-H44 VanDerWaalsContact CD2-CD2 3.44Å; F40-H44 WeakPolarHBondContact CD2-CD2 3.24Å; F40-H44 HydrophobicContact CE1-CB 3.7Å; F40-H44 HydrophobicContact CE2-CB 3.8Å; F40-H44 AromaticContact CE2-CD2 3.29Å; F40-H44 WeakPolarHBondContact CE2-CD2 3.17Å; F40-H44 AromaticContact CE2-CG 3.67Å; F40-H44 HydrophobicContact CZ-CB 3.47Å; F40-H44 VanDerWaalsContact CZ-CB 3.47Å; F40-H44 AromaticContact CZ-CD2 3.93Å; F40-H44 AromaticContact CZ-CG 3.85Å; F40-H44 PolarHBondContact O-N 3.23Å; F40-L301 HydrophobicContact CE2-CD2 4.35Å; F40-L301 HydrophobicContact CE2-CG 4.05Å; F40-L301 HydrophobicContact CZ-CD2 4.05Å; F40-L301 HydrophobicContact CZ-CG 4.21Å; F40-V302 HydrophobicContact CD1-CG2 4.21Å; F40-V302 HydrophobicContact CD2-CB 4.35Å; F40-V302 HydrophobicContact CD2-CG2 3.63Å; F40-V302 HydrophobicContact CE1-CG2 4.02Å; F40-V302 HydrophobicContact CE2-CB 4.22Å; F40-V302 HydrophobicContact CE2-CG2 3.42Å; F40-V302 VanDerWaalsContact CE2-CG2 3.42Å; F40-V302 HydrophobicContact CG-CG2 4.03Å; F40-V302 HydrophobicContact CZ-CG2 3.63Å; F40-H305 HydrophobicContact CD2-CB 4.03Å; F40-H305 AromaticContact CD2-CD2 3.92Å; F40-H305 AromaticContact CD2-CG 3.98Å; F40-H305 HydrophobicContact CE2-CB 4.32Å
41H90.3Very high91.4Very high82 Ų8238.7 Ų38.738%0.3820%0.202SC..G310 helixtrans-66.4-23.718059.3-83.8000114G39 F43 S45 L46G39-H41 PolarHBondContact O-N 3.38Å; G39-H41 VanDerWaalsContact O-N 3.16Å; H41-F43 VanDerWaalsContact C-N 3.28Å; H41-S45 WeakPolarHBondContact CA-O 3.47Å; H41-L46 HydrophobicContact CB-CD2 4.37Å
42D87.9Confident90.8Very high86 Ų8640.2 Ų40.246%0.4621%0.211SC..G310 helixtrans-78-16.1179.5-60.1-40.4000112.6G39 F40 H364G39-D42 WeakPolarHBondContact O-CB 3.48Å; G39-D42 PolarHBondContact O-N 3.4Å; F40-D42 VanDerWaalsContact C-N 3.26Å; F40-D42 PolarHBondContact O-N 3.02Å; D42-H364 WeakPolarHBondContact CB-NE2 3.31Å
43F88.9Confident90.3Very high6 Ų639.1 Ų39.13%0.02620%0.204CC..THydrogen-bonded Turntrans-114.8-45.1-176.6-67-93.8000112.2G39 F40 H41 H305 I309 M357 Q360 L361 H364 F369G39-F43 WeakPolarHBondContact O-CD2 3.4Å; F40-F43 PolarHBondContact O-N 2.98Å; H41-F43 VanDerWaalsContact C-N 3.28Å; F43-H305 AromaticContact CD2-CE1 3.39Å; F43-H305 WeakPolarHBondContact CD2-CE1 3.47Å; F43-H305 AromaticContact CD2-NE2 3.89Å; F43-H305 AromaticContact CE2-CE1 3.98Å; F43-H305 AromaticContact CG-CE1 3.56Å; F43-I309 HydrophobicContact CE2-CD1 4.19Å; F43-I309 HydrophobicContact CZ-CD1 4.06Å; F43-M357 HydrophobicContact CD1-CE 3.64Å; F43-M357 HydrophobicContact CD1-SD 3.67Å; F43-M357 HydrophobicContact CE1-CE 3.89Å; F43-M357 HydrophobicContact CE1-SD 4.33Å; F43-M357 HydrophobicContact CG-CE 4.27Å; F43-M357 HydrophobicContact CG-SD 4.42Å; F43-Q360 HydrophobicContact CD1-CB 3.82Å; F43-Q360 HydrophobicContact CE1-CB 4.13Å; F43-Q360 VanDerWaalsContact O-CD 3.27Å; F43-Q360 PolarHBondContact O-NE2 3.18Å; F43-Q360 PolarHBondContact O-OE1 3.41Å; F43-L361 HydrophobicContact CE1-CD2 3.6Å; F43-L361 HydrophobicContact CE1-CG 3.96Å; F43-L361 HydrophobicContact CZ-CD2 3.94Å; F43-H364 AromaticContact CE1-ND1 3.83Å; F43-H364 AromaticContact CE2-CD2 3.95Å; F43-H364 AromaticContact CE2-CE1 3.98Å; F43-H364 AromaticContact CE2-NE2 3.8Å; F43-H364 HydrophobicContact CZ-CB 4.25Å; F43-H364 AromaticContact CZ-CD2 3.8Å; F43-H364 AromaticContact CZ-CE1 3.7Å; F43-H364 AromaticContact CZ-CG 3.61Å; F43-H364 AromaticContact CZ-ND1 3.55Å; F43-H364 AromaticContact CZ-NE2 3.87Å; F43-F369 HydrophobicContact CZ-CE1 4.33Å; F43-F369 HydrophobicContact CZ-CZ 4.14Å
44H87.4Confident89.8Confident51 Ų5141.3 Ų41.324%0.23621%0.214CC..SBendtrans-110-97.7-168.8-56.3-68.3000110.9F40 H305F40-H44 HydrophobicContact CD1-CB 4.22Å; F40-H44 HydrophobicContact CD2-CB 4.31Å; F40-H44 AromaticContact CD2-CD2 3.44Å; F40-H44 VanDerWaalsContact CD2-CD2 3.44Å; F40-H44 WeakPolarHBondContact CD2-CD2 3.24Å; F40-H44 HydrophobicContact CE1-CB 3.7Å; F40-H44 HydrophobicContact CE2-CB 3.8Å; F40-H44 AromaticContact CE2-CD2 3.29Å; F40-H44 WeakPolarHBondContact CE2-CD2 3.17Å; F40-H44 AromaticContact CE2-CG 3.67Å; F40-H44 HydrophobicContact CZ-CB 3.47Å; F40-H44 VanDerWaalsContact CZ-CB 3.47Å; F40-H44 AromaticContact CZ-CD2 3.93Å; F40-H44 AromaticContact CZ-CG 3.85Å; F40-H44 PolarHBondContact O-N 3.23Å; H44-H305 AromaticContact CD2-CG 3.88Å; H44-H305 AromaticContact CD2-ND1 3.59Å; H44-H305 AromaticContact NE2-CE1 3.81Å; H44-H305 AromaticContact NE2-CG 3.6Å; H44-H305 AromaticContact NE2-ND1 3.02Å; H44-H305 PolarHBondContact NE2-ND1 3.28Å
45S82.6Confident89.1Confident26 Ų2642.5 Ų42.518%0.18222%0.22CC..  trans-133.8154-175.857.50000111.6H41 R298H41-S45 WeakPolarHBondContact CA-O 3.47Å; S45-R298 PolarHBondContact OG-NH1 3.21Å
46L85.8Confident88.8Confident75 Ų7546.2 Ų46.239%0.39324%0.236SC..PPolyproline II helixtrans-60.6156.5178.1-60.2175.9000111.8H41 K122 R298H41-L46 HydrophobicContact CB-CD2 4.37Å; L46-K122 HydrophobicContact CB-CD 4.18Å; L46-K122 HydrophobicContact CD1-CB 4.01Å; L46-K122 HydrophobicContact CD1-CD 4.12Å; L46-K122 HydrophobicContact CD1-CG 3.79Å; L46-R298 PolarHBondContact O-NH2 2.98Å
47S89.2Confident88.6Confident36 Ų3641 Ų4125%0.25221%0.213SC..PPolyproline II helixtrans-60.9142.4175-630000111.6Y27 L32 K122Y27-S47 VanDerWaalsContact OH-CA 3.3Å; Y27-S47 WeakPolarHBondContact OH-CA 3.41Å; Y27-S47 WeakPolarHBondContact OH-CB 3.49Å; L32-S47 WeakPolarHBondContact CD1-OG 3.43Å; S47-K122 VanDerWaalsContact O-CE 3.23Å; S47-K122 WeakPolarHBondContact O-CE 3.03Å; S47-K122 PolarHBondContact O-NZ 3.03Å
48L88.1Confident88.5Confident41 Ų4138.9 Ų38.922%0.21521%0.205CC..PPolyproline II helixtrans-71140.3179.7-55.6177.4000110.9Y27 D52 F53Y27-L48 HydrophobicContact CD1-CB 4.16Å; Y27-L48 HydrophobicContact CD2-CD1 4.09Å; Y27-L48 HydrophobicContact CE1-CB 3.63Å; Y27-L48 HydrophobicContact CE1-CG 4.34Å; Y27-L48 WeakPolarHBondContact CE1-O 3.35Å; Y27-L48 HydrophobicContact CE2-CB 4.28Å; Y27-L48 HydrophobicContact CE2-CD1 3.99Å; Y27-L48 HydrophobicContact CE2-CG 4.09Å; Y27-L48 HydrophobicContact CG-CD1 4.48Å; Y27-L48 PolarHBondContact OH-N 2.85Å; L48-D52 WeakPolarHBondContact CA-OD2 3.34Å; L48-D52 HydrophobicContact CB-CB 4.41Å; L48-D52 HydrophobicContact CD2-CB 4.34Å; L48-F53 HydrophobicContact CB-CE2 3.74Å; L48-F53 HydrophobicContact CB-CZ 4.12Å; L48-F53 HydrophobicContact CD1-CE2 4.23Å; L48-F53 HydrophobicContact CD1-CZ 3.76Å
49E86.6Confident88.5Confident64 Ų6438.6 Ų38.630%0.29920%0.204SC..  trans-106.3168.9176-67.8178.7-14900109.9A51 D52 F53 K122E49-A51 VanDerWaalsContact C-N 3.26Å; E49-A51 PolarHBondContact O-N 3.3Å; E49-D52 PolarHBondContact N-OD2 2.85Å; E49-D52 WeakPolarHBondContact O-CB 3.25Å; E49-D52 PolarHBondContact O-N 2.89Å; E49-F53 VanDerWaalsContact O-CD2 3.32Å; E49-F53 WeakPolarHBondContact O-CD2 3.43Å; E49-K122 WeakPolarHBondContact OE1-CE 3.39Å
50D87.1Confident88.7Confident58 Ų5838 Ų3831%0.3120%0.198SC..Hα-helixtrans-60.1-40.3-177.7-74.115.4000111.8K24 R28 D52 F53 D54K24-D50 WeakPolarHBondContact CE-OD1 3.35Å; K24-D50 WeakPolarHBondContact CE-OD2 3.33Å; K24-D50 IonicContact NZ-OD1 2.78Å; K24-D50 IonicContact NZ-OD2 2.61Å; K24-D50 PolarHBondContact NZ-OD2 3.1Å; R28-D50 IonicContact CZ-OD1 2.74Å; R28-D50 VanDerWaalsContact CZ-OD1 3.26Å; R28-D50 IonicContact CZ-OD2 2.72Å; R28-D50 IonicContact NE-OD1 3.27Å; R28-D50 IonicContact NH2-OD1 3.08Å; R28-D50 PolarHBondContact NH2-OD1 3.38Å; R28-D50 IonicContact NH2-OD2 3.17Å; R28-D50 PolarHBondContact NH2-OD2 3Å; D50-D52 PolarHBondContact O-N 2.79Å; D50-F53 PolarHBondContact O-N 3.18Å; D50-D54 WeakPolarHBondContact O-CB 3.34Å; D50-D54 PolarHBondContact O-N 3.27Å; D50-D54 VanDerWaalsContact O-OD2 3.1Å
51A85.4Confident88.9Confident10 Ų1038 Ų388%0.08320%0.198CC..Hα-helixtrans-52.5-43.1172.900000111.5E49 F53 D54 N55E49-A51 VanDerWaalsContact C-N 3.26Å; E49-A51 PolarHBondContact O-N 3.3Å; A51-F53 PolarHBondContact O-N 2.94Å; A51-F53 VanDerWaalsContact O-N 3.07Å; A51-D54 PolarHBondContact O-N 2.9Å; A51-D54 VanDerWaalsContact O-N 3.09Å; A51-N55 WeakPolarHBondContact O-CB 3.38Å; A51-N55 PolarHBondContact O-N 3.15Å; A51-N55 PolarHBondContact O-ND2 2.79Å; A51-N55 PolarHBondContact O-OD1 2.84Å
52D83.9Confident89.1Confident32 Ų3234 Ų3417%0.17118%0.18CC..Hα-helixtrans-59.5-27-179-61-54.9000112.7L48 E49 D50 K122L48-D52 WeakPolarHBondContact CA-OD2 3.34Å; L48-D52 HydrophobicContact CB-CB 4.41Å; L48-D52 HydrophobicContact CD2-CB 4.34Å; E49-D52 PolarHBondContact N-OD2 2.85Å; E49-D52 WeakPolarHBondContact O-CB 3.25Å; E49-D52 PolarHBondContact O-N 2.89Å; D50-D52 PolarHBondContact O-N 2.79Å; D52-K122 IonicContact OD1-NZ 3.9Å; D52-K122 IonicContact OD2-NZ 3.13Å; D52-K122 PolarHBondContact OD2-NZ 2.9Å
53F86.1Confident89.4Confident10 Ų1030 Ų304%0.04416%0.158CC..Hα-helixtrans-90.8-35.7174.7-63.3-86000112.8T20 L23 K24 Y27 L48 E49 D50 A51 K291T20-F53 HydrophobicContact CG2-CB 4.03Å; T20-F53 WeakPolarHBondContact CG2-O 3.03Å; L23-F53 HydrophobicContact CB-CD1 4.33Å; L23-F53 HydrophobicContact CB-CE1 4.28Å; K24-F53 HydrophobicContact CB-CB 4.47Å; K24-F53 HydrophobicContact CB-CD1 4.22Å; K24-F53 HydrophobicContact CB-CD2 4.3Å; K24-F53 HydrophobicContact CB-CG 4.07Å; K24-F53 HydrophobicContact CD-CB 4.45Å; K24-F53 HydrophobicContact CG-CD2 4.07Å; K24-F53 HydrophobicContact CG-CE2 4.49Å; K24-F53 HydrophobicContact CG-CG 4.26Å; Y27-F53 AromaticContact CD1-CE2 3.99Å; Y27-F53 HydrophobicContact CD1-CE2 3.99Å; Y27-F53 AromaticContact CD1-CZ 3.89Å; Y27-F53 HydrophobicContact CD1-CZ 3.89Å; Y27-F53 HydrophobicContact CG-CE2 4.34Å; Y27-F53 AromaticContact CG-CZ 3.77Å; Y27-F53 HydrophobicContact CG-CZ 3.77Å; L48-F53 HydrophobicContact CB-CE2 3.74Å; L48-F53 HydrophobicContact CB-CZ 4.12Å; L48-F53 HydrophobicContact CD1-CE2 4.23Å; L48-F53 HydrophobicContact CD1-CZ 3.76Å; E49-F53 VanDerWaalsContact O-CD2 3.32Å; E49-F53 WeakPolarHBondContact O-CD2 3.43Å; D50-F53 PolarHBondContact O-N 3.18Å; A51-F53 PolarHBondContact O-N 2.94Å; A51-F53 VanDerWaalsContact O-N 3.07Å; F53-K291 WeakPolarHBondContact O-CE 3.48Å; F53-K291 PolarHBondContact O-NZ 3.47Å
54D85.3Confident89.4Confident92 Ų9230.6 Ų30.649%0.49216%0.161SC..Hα-helixtrans-89.6-11-170.2-58.1-30.2000112.3K24 D50 A51K24-D54 IonicContact NZ-OD1 3.71Å; K24-D54 IonicContact NZ-OD2 3.98Å; K24-D54 PolarHBondContact NZ-OD2 3.07Å; D50-D54 WeakPolarHBondContact O-CB 3.34Å; D50-D54 PolarHBondContact O-N 3.27Å; D50-D54 VanDerWaalsContact O-OD2 3.1Å; A51-D54 PolarHBondContact O-N 2.9Å; A51-D54 VanDerWaalsContact O-N 3.09Å
55N83.4Confident89.3Confident26 Ų2631.4 Ų31.414%0.13916%0.162CC..PPolyproline II helixtrans-67147-180-74.1-35.7000113.7A51 P119 K291A51-N55 WeakPolarHBondContact O-CB 3.38Å; A51-N55 PolarHBondContact O-N 3.15Å; A51-N55 PolarHBondContact O-ND2 2.79Å; A51-N55 PolarHBondContact O-OD1 2.84Å; N55-P119 WeakPolarHBondContact ND2-CB 3.48Å; N55-P119 WeakPolarHBondContact ND2-CD 3.48Å; N55-P119 WeakPolarHBondContact ND2-CG 3.44Å; N55-P119 WeakPolarHBondContact OD1-CD 3.37Å; N55-K291 PolarHBondContact O-NZ 3.43Å
56K88.8Confident89.5Confident80 Ų8033.9 Ų33.935%0.34818%0.18SC..PPolyproline II helixtrans-65.2153.9167.4-57.7-175-170.9-172.80110.5M58 L144 E145K56-M58 PolarHBondContact O-N 3.01Å; K56-L144 PolarHBondContact NZ-O 3.42Å; K56-E145 WeakPolarHBondContact CD-O 3.29Å; K56-E145 WeakPolarHBondContact CE-O 3.44Å; K56-E145 VanDerWaalsContact NZ-C 3.27Å; K56-E145 VanDerWaalsContact NZ-CA 3.3Å; K56-E145 PolarHBondContact NZ-O 2.93Å
57P91.9Very high89.7Confident10 Ų1030.5 Ų30.57%0.06516%0.162CC..PPolyproline II helixtrans-55.4139.5174.4-21.830.8000111.9I147 S148 D181 L283 A287P57-I147 HydrophobicContact CB-CG2 4.2Å; P57-I147 HydrophobicContact CG-CG2 4.5Å; P57-I147 CarbonylContact O-C 3.57Å; P57-I147 WeakPolarHBondContact O-CA 3.33Å; P57-S148 PolarHBondContact O-N 3.02Å; P57-D181 WeakPolarHBondContact CA-OD2 3.32Å; P57-D181 HydrophobicContact CB-CB 4.17Å; P57-D181 WeakPolarHBondContact CB-OD2 3.32Å; P57-L283 HydrophobicContact CB-CB 4.06Å; P57-L283 HydrophobicContact CG-CB 4.44Å; P57-A287 HydrophobicContact CG-CB 3.9Å
58M94.7Very high89.9Confident9 Ų929.4 Ų29.44%0.04416%0.157CC..EExtended strand (participates in β ladder)trans-111.6135.6180-66.6-176.4-69.100111.6K56 P119 S148 R179 V180 D181 R182K56-M58 PolarHBondContact O-N 3.01Å; M58-P119 HydrophobicContact SD-CG 4.18Å; M58-S148 CarbonylContact C-O 3.6Å; M58-S148 VanDerWaalsContact CA-O 3.29Å; M58-S148 WeakPolarHBondContact CA-O 3.31Å; M58-R179 HydrophobicContact CE-CB 4.11Å; M58-R179 WeakPolarHBondContact CE-O 3.34Å; M58-V180 HydrophobicContact CB-CB 4.2Å; M58-V180 HydrophobicContact CB-CG1 3.88Å; M58-V180 HydrophobicContact CE-CG1 4.5Å; M58-V180 WeakPolarHBondContact O-CB 3.47Å; M58-D181 PolarHBondContact N-OD2 3.12Å; M58-D181 PolarHBondContact O-N 3.47Å; M58-R182 PolarHBondContact O-N 3.1Å
59V97.4Very high90.2Very high2 Ų228.1 Ų28.11%0.01215%0.15CC..EExtended strand (participates in β ladder)trans-109.9119.1173.6-175.90000109.1I147 S148 I149 I150 R182 I184 L283V59-I147 HydrophobicContact CG2-CD1 4.23Å; V59-S148 PolarHBondContact N-O 3.23Å; V59-I149 CarbonylContact O-C 3.54Å; V59-I149 WeakPolarHBondContact O-CA 3.44Å; V59-I150 PolarHBondContact O-N 3.41Å; V59-R182 CarbonylContact C-O 3.05Å; V59-R182 WeakPolarHBondContact CA-O 3.33Å; V59-R182 HydrophobicContact CG1-CB 4.38Å; V59-R182 HydrophobicContact CG2-CB 4.3Å; V59-I184 HydrophobicContact CG1-CD1 4.3Å; V59-I184 HydrophobicContact CG1-CG1 3.65Å; V59-L283 HydrophobicContact CG2-CD1 3.38Å
60L98Very high90.4Very high0 Ų025.8 Ų25.80%014%0.139CC..EExtended strand (participates in β ladder)trans-94.6126.4176.9-177.467.5000110.4V62 I150 T152 L173 F176 V180 R182 I183 I184L60-V62 HydrophobicContact CD1-CG2 4.5Å; L60-V62 HydrophobicContact CD2-CG2 3.84Å; L60-V62 HydrophobicContact CG-CG2 3.68Å; L60-I150 HydrophobicContact CD1-CB 3.74Å; L60-I150 HydrophobicContact CD1-CG2 3.61Å; L60-T152 HydrophobicContact CD1-CG2 3.51Å; L60-T152 HydrophobicContact CG-CG2 4.32Å; L60-L173 HydrophobicContact CD2-CD1 3.95Å; L60-F176 HydrophobicContact CD1-CB 4.04Å; L60-F176 HydrophobicContact CD1-CG 4.23Å; L60-F176 HydrophobicContact CD2-CB 3.88Å; L60-V180 HydrophobicContact CB-CB 4.29Å; L60-V180 HydrophobicContact CB-CG1 3.99Å; L60-V180 HydrophobicContact CB-CG2 4.02Å; L60-V180 HydrophobicContact CD2-CG2 4.49Å; L60-R182 PolarHBondContact N-O 3Å; L60-I183 HydrophobicContact CB-CG1 4.34Å; L60-I183 HydrophobicContact CB-CG2 4.48Å; L60-I183 HydrophobicContact CD2-CG1 4.33Å; L60-I183 HydrophobicContact CD2-CG2 4.22Å; L60-I183 CarbonylContact O-C 3.55Å; L60-I183 WeakPolarHBondContact O-CA 3.37Å; L60-I184 PolarHBondContact O-N 3.31Å
61V97.8Very high90.7Very high1 Ų125 Ų251%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-109.2114.4-179-175.70000109.6K69 F72 I73 I149 I150 T152 L186V61-K69 HydrophobicContact CG1-CB 3.8Å; V61-K69 HydrophobicContact CG1-CD 4.38Å; V61-K69 HydrophobicContact CG1-CG 3.94Å; V61-F72 HydrophobicContact CG1-CD1 4.4Å; V61-F72 HydrophobicContact CG2-CD1 4.49Å; V61-I73 HydrophobicContact CB-CD1 4.19Å; V61-I73 HydrophobicContact CG1-CD1 4.45Å; V61-I73 HydrophobicContact CG2-CD1 4.01Å; V61-I73 HydrophobicContact CG2-CG1 4Å; V61-I149 HydrophobicContact CG2-CG2 3.88Å; V61-I150 PolarHBondContact N-O 2.87Å; V61-T152 WeakPolarHBondContact O-CB 3.45Å; V61-T152 VanDerWaalsContact O-CG2 3.28Å; V61-T152 WeakPolarHBondContact O-CG2 3.39Å; V61-T152 PolarHBondContact O-N 3.13Å; V61-T152 PolarHBondContact O-OG1 2.68Å; V61-L186 HydrophobicContact CG1-CD1 3.44Å; V61-L186 VanDerWaalsContact CG1-CD1 3.44Å
62V95.8Very high91.2Very high0 Ų024.6 Ų24.60%013%0.133CC..EExtended strand (participates in β ladder)trans-125.9146.5-172.4-168.30000110.5L60 T152 I155 L173 I183 I184 L185 L186L60-V62 HydrophobicContact CD1-CG2 4.5Å; L60-V62 HydrophobicContact CD2-CG2 3.84Å; L60-V62 HydrophobicContact CG-CG2 3.68Å; V62-T152 WeakPolarHBondContact CA-OG1 3.16Å; V62-T152 HydrophobicContact CG2-CG2 4.29Å; V62-I155 HydrophobicContact CG1-CD1 3.82Å; V62-L173 HydrophobicContact CG1-CD1 4.16Å; V62-L173 HydrophobicContact CG1-CD2 4.26Å; V62-L173 HydrophobicContact CG2-CD1 3.79Å; V62-I183 HydrophobicContact CG2-CG2 4.12Å; V62-I184 PolarHBondContact N-O 3.47Å; V62-L185 HydrophobicContact CB-CD2 3.72Å; V62-L185 HydrophobicContact CG1-CD2 4.18Å; V62-L185 HydrophobicContact CG2-CD2 4.33Å; V62-L185 CarbonylContact O-C 3.59Å; V62-L185 WeakPolarHBondContact O-CA 3.36Å; V62-L186 PolarHBondContact O-N 2.75Å
63G92.9Very high91.7Very high0 Ų023 Ų230%013%0.125CC..EExtended strand (participates in β ladder)trans167.4165.6-177.800000112.2K69 I155G63-K69 PolarHBondContact O-NZ 3.4Å; G63-I155 PolarHBondContact O-N 3.31Å; G63-I155 VanDerWaalsContact O-N 3.14Å
64Q89.7Confident92Very high19 Ų1924.6 Ų24.69%0.08913%0.132CC..BIsolated β-bridgetrans-65.6177175.9-64.5-172.5-10.700112.6T67 K69 I155 E193 F198Q64-T67 HydrophobicContact CB-CG2 3.86Å; Q64-T67 PolarHBondContact O-OG1 3.27Å; Q64-T67 VanDerWaalsContact O-OG1 3.1Å; Q64-K69 PolarHBondContact O-NZ 2.89Å; Q64-I155 WeakPolarHBondContact CA-O 3.41Å; Q64-E193 PolarHBondContact NE2-O 3.35Å; Q64-E193 PolarHBondContact OE1-O 3.07Å; Q64-E193 VanDerWaalsContact OE1-O 3.05Å; Q64-F198 HydrophobicContact CG-CB 4.24Å; Q64-F198 HydrophobicContact CG-CD1 4.39Å; Q64-F198 HydrophobicContact CG-CD2 3.49Å; Q64-F198 VanDerWaalsContact CG-CD2 3.49Å; Q64-F198 HydrophobicContact CG-CE2 3.88Å; Q64-F198 HydrophobicContact CG-CG 3.77Å; Q64-F198 HydrophobicContact CG-CZ 4.49Å
65Y85.5Confident92.2Very high68 Ų6822 Ų2227%0.26712%0.115SC..THydrogen-bonded Turntrans-61.1145.5171.4-76.3-84.4000111.6T67 P90 G154 I155 L156Y65-T67 PolarHBondContact O-N 2.91Å; Y65-P90 HydrophobicContact CD1-CB 4Å; Y65-P90 HydrophobicContact CE1-CB 3.67Å; Y65-G154 WeakPolarHBondContact CE2-O 3.38Å; Y65-G154 PolarHBondContact OH-O 3.35Å; Y65-I155 VanDerWaalsContact CD2-O 3.24Å; Y65-I155 WeakPolarHBondContact CD2-O 3.11Å; Y65-I155 PolarHBondContact N-O 3.16Å; Y65-L156 HydrophobicContact CD2-CD2 3.81Å; Y65-L156 HydrophobicContact CD2-CG 4.33Å; Y65-L156 HydrophobicContact CE2-CB 4.14Å; Y65-L156 HydrophobicContact CE2-CD2 3.08Å; Y65-L156 HydrophobicContact CE2-CG 3.47Å; Y65-L156 VanDerWaalsContact CE2-CG 3.47Å
66S85.9Confident92.6Very high78 Ų7820.9 Ų20.955%0.54511%0.109SC..THydrogen-bonded Turntrans62.96.9175.2-1510000116.1G68 K218S66-G68 PolarHBondContact O-N 3.27Å; S66-G68 VanDerWaalsContact O-N 3.15Å; S66-K218 WeakPolarHBondContact O-CE 3.49Å; S66-K218 PolarHBondContact O-NZ 3.14Å
67T91.3Very high92.6Very high5 Ų517.2 Ų17.23%0.0319%0.093CC..SBendtrans-70.1-7.1175.560.50000114.2Q64 Y65 D188 N217Q64-T67 HydrophobicContact CB-CG2 3.86Å; Q64-T67 PolarHBondContact O-OG1 3.27Å; Q64-T67 VanDerWaalsContact O-OG1 3.1Å; Y65-T67 PolarHBondContact O-N 2.91Å; T67-D188 HydrophobicContact CG2-CB 4.31Å; T67-N217 PolarHBondContact O-ND2 3.47Å
68G92.1Very high92.3Very high13 Ų1322.7 Ų22.713%0.13412%0.118CC..  trans92.721.917600000115.4S66 T71 F72S66-G68 PolarHBondContact O-N 3.27Å; S66-G68 VanDerWaalsContact O-N 3.15Å; G68-T71 PolarHBondContact O-N 3.17Å; G68-F72 VanDerWaalsContact O-CB 3.3Å; G68-F72 WeakPolarHBondContact O-CB 3.38Å; G68-F72 PolarHBondContact O-N 3.42Å
69K93.9Very high91.9Very high14 Ų1425.1 Ų25.16%0.06113%0.129CC..Hα-helixtrans-51.9-58.2178.6-61.7-176.1-63.7-610113.6V61 G63 Q64 T71 F72 I73 T152 L186V61-K69 HydrophobicContact CG1-CB 3.8Å; V61-K69 HydrophobicContact CG1-CD 4.38Å; V61-K69 HydrophobicContact CG1-CG 3.94Å; G63-K69 PolarHBondContact O-NZ 3.4Å; Q64-K69 PolarHBondContact O-NZ 2.89Å; K69-T71 VanDerWaalsContact C-N 3.29Å; K69-T71 PolarHBondContact O-N 3.12Å; K69-F72 WeakPolarHBondContact O-CB 3.46Å; K69-F72 PolarHBondContact O-N 2.75Å; K69-I73 WeakPolarHBondContact O-CG1 3.23Å; K69-I73 PolarHBondContact O-N 3.01Å; K69-T152 WeakPolarHBondContact CE-O 3.34Å; K69-L186 HydrophobicContact CG-CD1 4.46Å
70T92.6Very high91.5Very high14 Ų1430.2 Ų30.29%0.08616%0.157CC..Hα-helixtrans-64.3-36-179.6-47.40000111.4I73 K74 I81 V86 T92 D151T70-I73 PolarHBondContact O-N 3.19Å; T70-K74 WeakPolarHBondContact O-CG 3.36Å; T70-K74 PolarHBondContact O-N 3.25Å; T70-I81 HydrophobicContact CG2-CD1 4.11Å; T70-V86 HydrophobicContact CG2-CG2 3.88Å; T70-T92 PolarHBondContact OG1-OG1 2.99Å; T70-D151 PolarHBondContact OG1-OD2 3.33Å
71T92.6Very high91.2Very high43 Ų4330.5 Ų30.526%0.26416%0.158SC..Hα-helixtrans-64-44.1174.4-52.50000111.9G68 K69 I73 K74 Y75 W256G68-T71 PolarHBondContact O-N 3.17Å; K69-T71 VanDerWaalsContact C-N 3.29Å; K69-T71 PolarHBondContact O-N 3.12Å; T71-I73 VanDerWaalsContact C-N 3.3Å; T71-I73 PolarHBondContact O-N 2.97Å; T71-K74 PolarHBondContact O-N 3.38Å; T71-Y75 WeakPolarHBondContact O-CB 3.24Å; T71-Y75 PolarHBondContact O-N 2.96Å; T71-W256 HydrophobicContact CG2-CB 3.92Å
72F95.3Very high90.7Very high0 Ų031.6 Ų31.60%017%0.165CC..Hα-helixtrans-58.5-42.5175.4171.6-95.5000111.3V61 G68 K69 Y75 L76 I184 L186 F255 L276 I280V61-F72 HydrophobicContact CG1-CD1 4.4Å; V61-F72 HydrophobicContact CG2-CD1 4.49Å; G68-F72 VanDerWaalsContact O-CB 3.3Å; G68-F72 WeakPolarHBondContact O-CB 3.38Å; G68-F72 PolarHBondContact O-N 3.42Å; K69-F72 WeakPolarHBondContact O-CB 3.46Å; K69-F72 PolarHBondContact O-N 2.75Å; F72-Y75 WeakPolarHBondContact O-CB 3.18Å; F72-Y75 PolarHBondContact O-N 3.45Å; F72-L76 HydrophobicContact CD1-CD1 4.11Å; F72-L76 HydrophobicContact CE1-CD1 3.44Å; F72-L76 VanDerWaalsContact CE1-CD1 3.44Å; F72-L76 HydrophobicContact CE1-CG 4.1Å; F72-L76 HydrophobicContact CZ-CD1 3.72Å; F72-L76 HydrophobicContact CZ-CD2 4.28Å; F72-L76 HydrophobicContact CZ-CG 4.1Å; F72-L76 WeakPolarHBondContact O-CG 3.39Å; F72-L76 PolarHBondContact O-N 3.35Å; F72-I184 HydrophobicContact CE1-CG1 4.49Å; F72-I184 HydrophobicContact CE1-CG2 4.32Å; F72-I184 HydrophobicContact CZ-CG2 4.35Å; F72-L186 HydrophobicContact CB-CD2 3.91Å; F72-L186 HydrophobicContact CG-CD2 4.22Å; F72-F255 HydrophobicContact CD2-CB 3.51Å; F72-F255 HydrophobicContact CD2-CD1 4.07Å; F72-F255 HydrophobicContact CD2-CD2 4.41Å; F72-F255 AromaticContact CD2-CG 3.74Å; F72-F255 HydrophobicContact CD2-CG 3.74Å; F72-F255 HydrophobicContact CE2-CB 4.14Å; F72-F255 AromaticContact CE2-CD1 3.79Å; F72-F255 HydrophobicContact CE2-CD1 3.79Å; F72-F255 HydrophobicContact CE2-CE1 4.37Å; F72-F255 AromaticContact CE2-CG 3.91Å; F72-F255 HydrophobicContact CE2-CG 3.91Å; F72-L276 HydrophobicContact CE2-CD2 3.82Å; F72-L276 HydrophobicContact CZ-CD2 3.96Å; F72-I280 HydrophobicContact CZ-CD1 4.45Å
73I95.2Very high89.9Confident0 Ų034.5 Ų34.50%020%0.196CC..Hα-helixtrans-68.2-43.8178.1-58167.2000110.9V61 K69 T70 T71 Y75 L76 L77 I81 I98 I149 D151V61-I73 HydrophobicContact CB-CD1 4.19Å; V61-I73 HydrophobicContact CG1-CD1 4.45Å; V61-I73 HydrophobicContact CG2-CD1 4.01Å; V61-I73 HydrophobicContact CG2-CG1 4Å; K69-I73 WeakPolarHBondContact O-CG1 3.23Å; K69-I73 PolarHBondContact O-N 3.01Å; T70-I73 PolarHBondContact O-N 3.19Å; T71-I73 VanDerWaalsContact C-N 3.3Å; T71-I73 PolarHBondContact O-N 2.97Å; I73-Y75 PolarHBondContact O-N 3.35Å; I73-L76 PolarHBondContact O-N 3.42Å; I73-L77 HydrophobicContact CG2-CD1 3.89Å; I73-L77 HydrophobicContact CG2-CG 4.25Å; I73-L77 VanDerWaalsContact O-CG 3.29Å; I73-L77 WeakPolarHBondContact O-CG 3.22Å; I73-L77 PolarHBondContact O-N 2.97Å; I73-I81 HydrophobicContact CB-CD1 4.02Å; I73-I81 HydrophobicContact CG2-CD1 3.78Å; I73-I98 HydrophobicContact CD1-CD1 4.07Å; I73-I98 HydrophobicContact CG2-CD1 3.67Å; I73-I149 HydrophobicContact CD1-CG2 3.79Å; I73-I149 HydrophobicContact CG1-CG2 3.87Å; I73-I149 HydrophobicContact CG2-CB 4.47Å; I73-I149 HydrophobicContact CG2-CD1 3.96Å; I73-I149 HydrophobicContact CG2-CG2 4.04Å; I73-D151 HydrophobicContact CD1-CB 3.48Å; I73-D151 VanDerWaalsContact CD1-CB 3.48Å
74K91.6Very high89.1Confident43 Ų4335.4 Ų35.419%0.18720%0.202CC..Hα-helixtrans-58.8-37.8173.5-72.2-178.5177.1-157.30112.1T70 T71 L77 E78 Q79 D80 I81 V86T70-K74 WeakPolarHBondContact O-CG 3.36Å; T70-K74 PolarHBondContact O-N 3.25Å; T71-K74 PolarHBondContact O-N 3.38Å; K74-L77 PolarHBondContact O-N 3.03Å; K74-E78 VanDerWaalsContact O-CA 3.3Å; K74-E78 WeakPolarHBondContact O-CA 3.29Å; K74-E78 PolarHBondContact O-N 3.32Å; K74-Q79 PolarHBondContact O-N 3.49Å; K74-D80 WeakPolarHBondContact CD-OD1 3.18Å; K74-D80 WeakPolarHBondContact CE-OD1 3.23Å; K74-D80 IonicContact NZ-OD1 2.55Å; K74-D80 PolarHBondContact NZ-OD1 3.43Å; K74-I81 HydrophobicContact CG-CD1 3.92Å; K74-I81 HydrophobicContact CG-CG1 4.23Å; K74-V86 HydrophobicContact CD-CG2 4.04Å
75Y90.8Very high87.9Confident37 Ų3744.3 Ų44.315%0.14524%0.235CC..Hα-helixtrans-62.2-51.4175.8-176-118.1000110.8T71 F72 I73 L77 E78 F255 W256 E273 F277 A412T71-Y75 WeakPolarHBondContact O-CB 3.24Å; T71-Y75 PolarHBondContact O-N 2.96Å; F72-Y75 WeakPolarHBondContact O-CB 3.18Å; F72-Y75 PolarHBondContact O-N 3.45Å; I73-Y75 PolarHBondContact O-N 3.35Å; Y75-L77 VanDerWaalsContact C-N 3.29Å; Y75-L77 PolarHBondContact O-N 3Å; Y75-E78 PolarHBondContact O-N 3.3Å; Y75-F255 HydrophobicContact CD1-CB 3.89Å; Y75-F255 HydrophobicContact CD1-CD1 4.46Å; Y75-F255 HydrophobicContact CE1-CB 4.29Å; Y75-F255 HydrophobicContact CE1-CD1 4.34Å; Y75-W256 VanDerWaalsContact CD2-C 3.47Å; Y75-W256 WeakPolarHBondContact CE2-O 3.35Å; Y75-E273 VanDerWaalsContact CE1-OE1 3.31Å; Y75-E273 WeakPolarHBondContact CE1-OE1 3.29Å; Y75-E273 VanDerWaalsContact CZ-OE1 3.32Å; Y75-E273 VanDerWaalsContact OH-CD 3.31Å; Y75-E273 PolarHBondContact OH-OE1 3.1Å; Y75-E273 PolarHBondContact OH-OE2 2.95Å; Y75-F277 HydrophobicContact CD1-CZ 4.05Å; Y75-F277 HydrophobicContact CE1-CE2 4.33Å; Y75-F277 AromaticContact CE1-CZ 3.61Å; Y75-F277 HydrophobicContact CE1-CZ 3.61Å; Y75-A412 WeakPolarHBondContact O-CB 3.4Å
76L90.4Very high86.6Confident2 Ų244.8 Ų44.81%0.0124%0.244CC..Hα-helixtrans-57-41176-69.6-177.9000113.2F72 I73 I149 F277 I280 A412 F413F72-L76 HydrophobicContact CD1-CD1 4.11Å; F72-L76 HydrophobicContact CE1-CD1 3.44Å; F72-L76 VanDerWaalsContact CE1-CD1 3.44Å; F72-L76 HydrophobicContact CE1-CG 4.1Å; F72-L76 HydrophobicContact CZ-CD1 3.72Å; F72-L76 HydrophobicContact CZ-CD2 4.28Å; F72-L76 HydrophobicContact CZ-CG 4.1Å; F72-L76 WeakPolarHBondContact O-CG 3.39Å; F72-L76 PolarHBondContact O-N 3.35Å; I73-L76 PolarHBondContact O-N 3.42Å; L76-I149 HydrophobicContact CD1-CD1 4.45Å; L76-F277 HydrophobicContact CD2-CD1 3.9Å; L76-F277 HydrophobicContact CD2-CE1 3.3Å; L76-F277 HydrophobicContact CD2-CZ 3.73Å; L76-I280 HydrophobicContact CD1-CD1 4.31Å; L76-A412 PolarHBondContact O-N 2.96Å; L76-A412 VanDerWaalsContact O-N 3.14Å; L76-F413 HydrophobicContact CB-CE2 4.43Å; L76-F413 HydrophobicContact CD2-CE2 4.24Å; L76-F413 HydrophobicContact CD2-CZ 3.82Å
77L88.7Confident85.2Confident3 Ų342.6 Ų42.62%0.01623%0.234CC..Hα-helixtrans-82.3-16.3-177.2-62.8-179.1000113.5I73 K74 Y75 Q79 I81 I98 M139 N141 V143 L144 I149I73-L77 HydrophobicContact CG2-CD1 3.89Å; I73-L77 HydrophobicContact CG2-CG 4.25Å; I73-L77 VanDerWaalsContact O-CG 3.29Å; I73-L77 WeakPolarHBondContact O-CG 3.22Å; I73-L77 PolarHBondContact O-N 2.97Å; K74-L77 PolarHBondContact O-N 3.03Å; Y75-L77 VanDerWaalsContact C-N 3.29Å; Y75-L77 PolarHBondContact O-N 3Å; L77-Q79 HydrophobicContact CB-CB 4.36Å; L77-Q79 PolarHBondContact O-N 3.18Å; L77-Q79 VanDerWaalsContact O-N 3.13Å; L77-I81 HydrophobicContact CD1-CG1 4.21Å; L77-I98 HydrophobicContact CD1-CG2 4.1Å; L77-M139 HydrophobicContact CD1-SD 4.41Å; L77-N141 PolarHBondContact O-ND2 2.76Å; L77-N141 VanDerWaalsContact O-ND2 3.08Å; L77-V143 HydrophobicContact CD2-CB 3.7Å; L77-V143 HydrophobicContact CD2-CG1 3.72Å; L77-V143 HydrophobicContact CD2-CG2 4.35Å; L77-L144 HydrophobicContact CD2-CD2 3.85Å; L77-L144 HydrophobicContact CD2-CG 3.92Å; L77-I149 HydrophobicContact CD2-CD1 4.2Å
78E85.9Confident83.1Confident126 Ų12648.5 Ų48.559%0.58927%0.273SS*.THydrogen-bonded Turntrans46.531.4-164.9-63.7-176.6164.500113.3K74 Y75 G411 A412K74-E78 VanDerWaalsContact O-CA 3.3Å; K74-E78 WeakPolarHBondContact O-CA 3.29Å; K74-E78 PolarHBondContact O-N 3.32Å; Y75-E78 PolarHBondContact O-N 3.3Å; E78-G411 VanDerWaalsContact CD-C 3.44Å; E78-A412 HydrophobicContact CG-CB 4.38Å; E78-A412 WeakPolarHBondContact OE1-CA 3.47Å
79Q87.2Confident81.3Confident59 Ų5955.2 Ų55.228%0.27630%0.301SS..SBendtrans-151.3148.5-172.9-165.5177.3-6.900110.8K74 L77 E104 M139 N141K74-Q79 PolarHBondContact O-N 3.49Å; L77-Q79 HydrophobicContact CB-CB 4.36Å; L77-Q79 PolarHBondContact O-N 3.18Å; L77-Q79 VanDerWaalsContact O-N 3.13Å; Q79-E104 PolarHBondContact NE2-OE1 2.86Å; Q79-E104 VanDerWaalsContact NE2-OE1 3.14Å; Q79-M139 HydrophobicContact CB-CE 3.96Å; Q79-M139 HydrophobicContact CG-CE 3.46Å; Q79-M139 VanDerWaalsContact CG-CE 3.46Å; Q79-N141 PolarHBondContact OE1-ND2 3.08Å
80D88.8Confident79.5Confident110 Ų11059.1 Ų59.159%0.58833%0.328SS*.PPolyproline II helixtrans-72.1143.7174.3-81.8-41.7000112.4K74 M139K74-D80 WeakPolarHBondContact CD-OD1 3.18Å; K74-D80 WeakPolarHBondContact CE-OD1 3.23Å; K74-D80 IonicContact NZ-OD1 2.55Å; K74-D80 PolarHBondContact NZ-OD1 3.43Å; D80-M139 VanDerWaalsContact O-CE 3.24Å; D80-M139 WeakPolarHBondContact O-CE 3.48Å
81I90.6Very high77.8Confident6 Ų661.2 Ų61.23%0.03134%0.34CS..PPolyproline II helixtrans-93.2125.9-178.3-56.6152.8000109.5T70 I73 K74 L77 G83 S84 I98 A137T70-I81 HydrophobicContact CG2-CD1 4.11Å; I73-I81 HydrophobicContact CB-CD1 4.02Å; I73-I81 HydrophobicContact CG2-CD1 3.78Å; K74-I81 HydrophobicContact CG-CD1 3.92Å; K74-I81 HydrophobicContact CG-CG1 4.23Å; L77-I81 HydrophobicContact CD1-CG1 4.21Å; I81-G83 PolarHBondContact O-N 3.05Å; I81-S84 WeakPolarHBondContact CG2-OG 3.39Å; I81-S84 PolarHBondContact O-N 3.24Å; I81-S84 VanDerWaalsContact O-N 3.16Å; I81-I98 HydrophobicContact CD1-CD1 3.65Å; I81-I98 HydrophobicContact CG1-CD1 4.08Å; I81-I98 HydrophobicContact CG2-CD1 3.92Å; I81-I98 HydrophobicContact CG2-CG1 3.91Å; I81-I98 HydrophobicContact CG2-CG2 4.46Å; I81-A137 HydrophobicContact CG2-CB 3.87Å
82P88.1Confident76.2Confident23 Ų2359.9 Ų59.915%0.14933%0.332CS..THydrogen-bonded Turntrans-55.7130.3175.9-26.934.6000112.5S84 E104 V106 M139P82-S84 PolarHBondContact O-N 2.87Å; P82-E104 HydrophobicContact CG-CB 4.32Å; P82-V106 HydrophobicContact CB-CG2 3.96Å; P82-M139 HydrophobicContact CG-CB 4.28Å; P82-M139 HydrophobicContact CG-SD 4.49Å
83G79.6Confident75.2Confident62 Ų6263.8 Ų63.864%0.63935%0.353SS*.THydrogen-bonded Turntrans78.7-5.8178.500000115.3I81I81-G83 PolarHBondContact O-N 3.05Å
84S75.4Confident74.8Confident19 Ų1964.7 Ų64.713%0.13336%0.359CS..  trans-90.5131.8175.5-60.60000111.5I81 P82I81-S84 WeakPolarHBondContact CG2-OG 3.39Å; I81-S84 PolarHBondContact O-N 3.24Å; I81-S84 VanDerWaalsContact O-N 3.16Å; P82-S84 PolarHBondContact O-N 2.87Å
85R64.7Low74.9Confident206 Ų20662.6 Ų62.678%0.77735%0.35SS*.  trans-110.2131.2168.7-66.4-176.3-178-174.70.5109.4T91R85-T91 WeakPolarHBondContact O-CB 3.48Å; R85-T91 PolarHBondContact O-OG1 3.45Å
86V59.3Low75.1Confident77 Ų7760.9 Ų60.947%0.46734%0.343SS..  trans-99.2126172.4179.40000107.8T70 K74T70-V86 HydrophobicContact CG2-CG2 3.88Å; K74-V86 HydrophobicContact CD-CG2 4.04Å
87G56.4Low75.4Confident33 Ų3360.8 Ų60.834%0.3434%0.343SS..  trans-163.4166.517900000112.4E89G87-E89 VanDerWaalsContact C-N 3.3Å; G87-E89 PolarHBondContact O-N 3.46Å
88P46.6Very low75.8Confident129 Ų12960.7 Ų60.784%0.83834%0.342SS*.SBendtrans-73.3-19.7-178.328.1-33.8000113.7
89E53.3Low76.2Confident154 Ų15455.4 Ų55.472%0.7232%0.318SS*.SBendtrans-83.7166.2172.9-65.1-174171.900111.1G87 T91G87-E89 VanDerWaalsContact C-N 3.3Å; G87-E89 PolarHBondContact O-N 3.46Å; E89-T91 VanDerWaalsContact C-N 3.33Å; E89-T91 WeakPolarHBondContact O-CG2 3.42Å; E89-T91 PolarHBondContact O-N 3.1Å
90P57.3Low76.6Confident96 Ų9654.8 Ų54.862%0.62332%0.315SS*.  trans-6188.7176.2-20.232.7000111.4Y65Y65-P90 HydrophobicContact CD1-CB 4Å; Y65-P90 HydrophobicContact CE1-CB 3.67Å
91T55.3Low76.8Confident57 Ų5749.9 Ų49.935%0.3529%0.291SS..  trans-90.6-25.8-172.755.90000114.2R85 E89R85-T91 WeakPolarHBondContact O-CB 3.48Å; R85-T91 PolarHBondContact O-OG1 3.45Å; E89-T91 VanDerWaalsContact C-N 3.33Å; E89-T91 WeakPolarHBondContact O-CG2 3.42Å; E89-T91 PolarHBondContact O-N 3.1Å
92T59.3Low76.8Confident16 Ų1657.6 Ų57.610%0.09833%0.326CS..  trans-110.9101.1178.5-48.80000110.1T70 C94T70-T92 PolarHBondContact OG1-OG1 2.99Å; T92-C94 WeakPolarHBondContact CG2-O 3.3Å
93D75.2Confident77Confident82 Ų8262 Ų6244%0.43935%0.352SS..  trans-106.74.1177.876-32.9000113.4R133D93-R133 IonicContact OD2-NH1 3.55Å
94C86.7Confident77.6Confident18 Ų1864.3 Ų64.312%0.12235%0.347CS..SBendtrans-124.6152.2-178.461.70000112.6T92 R133T92-C94 WeakPolarHBondContact CG2-O 3.3Å; C94-R133 CarbonylContact C-O 3.58Å; C94-R133 WeakPolarHBondContact CA-O 3.5Å; C94-R133 HydrophobicContact CB-CB 4.4Å; C94-R133 VanDerWaalsContact CB-O 3.24Å; C94-R133 WeakPolarHBondContact CB-O 3.45Å
95F93.6Very high78.5Confident0 Ų064.8 Ų64.80%036%0.355CS..EExtended strand (participates in β ladder)trans-74.4128.5165-76.8-98.4000108.7F130 R133 F134 Q135 I150 D151 T152 P153 Y167 F169 V172 F176F95-F130 AromaticContact CD2-CE2 3.6Å; F95-F130 HydrophobicContact CD2-CE2 3.6Å; F95-F130 HydrophobicContact CD2-CZ 4.39Å; F95-F130 AromaticContact CE2-CE2 3.85Å; F95-F130 HydrophobicContact CE2-CE2 3.85Å; F95-F130 HydrophobicContact CG-CE2 4.26Å; F95-R133 PolarHBondContact N-O 3.07Å; F95-F134 HydrophobicContact CB-CD2 3.63Å; F95-F134 HydrophobicContact CB-CE2 4.3Å; F95-F134 WeakPolarHBondContact O-CA 3.5Å; F95-F134 WeakPolarHBondContact O-CD2 3.4Å; F95-Q135 PolarHBondContact O-N 3.34Å; F95-I150 HydrophobicContact CD1-CG2 4.42Å; F95-D151 WeakPolarHBondContact CA-O 3.37Å; F95-T152 HydrophobicContact CD1-CG2 3.85Å; F95-T152 HydrophobicContact CE1-CG2 3.62Å; F95-P153 HydrophobicContact CD2-CG 3.78Å; F95-P153 HydrophobicContact CE2-CG 3.99Å; F95-P153 HydrophobicContact CG-CG 4.35Å; F95-Y167 AromaticContact CE2-CE2 3.86Å; F95-Y167 HydrophobicContact CE2-CE2 3.86Å; F95-Y167 WeakPolarHBondContact CE2-OH 3.43Å; F95-F169 HydrophobicContact CE1-CE2 4.2Å; F95-F169 AromaticContact CE2-CD2 3.71Å; F95-F169 HydrophobicContact CE2-CD2 3.71Å; F95-F169 AromaticContact CE2-CE2 3.68Å; F95-F169 HydrophobicContact CE2-CE2 3.68Å; F95-F169 AromaticContact CZ-CD2 3.58Å; F95-F169 HydrophobicContact CZ-CD2 3.58Å; F95-F169 AromaticContact CZ-CE2 3.27Å; F95-F169 HydrophobicContact CZ-CE2 3.27Å; F95-F169 HydrophobicContact CZ-CZ 4.27Å; F95-V172 HydrophobicContact CE1-CG1 3.99Å; F95-V172 HydrophobicContact CE2-CG1 3.91Å; F95-V172 HydrophobicContact CZ-CB 4.29Å; F95-V172 HydrophobicContact CZ-CG1 3.58Å; F95-F176 HydrophobicContact CD1-CD2 4.33Å; F95-F176 AromaticContact CD1-CE2 3.81Å; F95-F176 HydrophobicContact CD1-CE2 3.81Å; F95-F176 HydrophobicContact CE1-CD2 4.12Å; F95-F176 AromaticContact CE1-CE2 3.99Å; F95-F176 HydrophobicContact CE1-CE2 3.99Å
96T95.2Very high79.9Confident1 Ų157.9 Ų57.91%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-119.9112.4-179.8-58.60000109.7I98 Q135 A137 I150 D151T96-I98 HydrophobicContact CG2-CG1 3.86Å; T96-I98 PolarHBondContact O-N 2.84Å; T96-Q135 CarbonylContact C-O 3.6Å; T96-Q135 WeakPolarHBondContact CA-O 3.3Å; T96-Q135 HydrophobicContact CG2-CG 4.12Å; T96-Q135 PolarHBondContact OG1-NE2 3.24Å; T96-A137 HydrophobicContact CG2-CB 3.93Å; T96-I150 WeakPolarHBondContact O-CA 3.42Å; T96-D151 PolarHBondContact N-O 3.45Å; T96-D151 PolarHBondContact O-N 3.13Å
97A96.3Very high81.5Confident0 Ų056.5 Ų56.50%033%0.325CS..EExtended strand (participates in β ladder)trans-83.3104.6170.700000109.8F120 F134 Q135 C136 A137 I150A97-F120 HydrophobicContact CB-CE1 4.39Å; A97-F120 HydrophobicContact CB-CE2 4.01Å; A97-F120 HydrophobicContact CB-CZ 3.69Å; A97-F134 HydrophobicContact CB-CE2 4.11Å; A97-F134 HydrophobicContact CB-CZ 4.25Å; A97-Q135 PolarHBondContact N-O 3.15Å; A97-C136 HydrophobicContact CB-CB 4.2Å; A97-C136 CarbonylContact O-C 3.6Å; A97-C136 WeakPolarHBondContact O-CA 3.45Å; A97-C136 PolarHBondContact O-SG 2.75Å; A97-A137 PolarHBondContact O-N 3.06Å; A97-I150 HydrophobicContact CB-CD1 3.63Å
98I96.8Very high83.3Confident0 Ų059 Ų590%033%0.334CS..EExtended strand (participates in β ladder)trans-92113.4-179.3-53.7163.5000107.5I73 L77 I81 T96 A137 M139 L144 I149 D151I73-I98 HydrophobicContact CD1-CD1 4.07Å; I73-I98 HydrophobicContact CG2-CD1 3.67Å; L77-I98 HydrophobicContact CD1-CG2 4.1Å; I81-I98 HydrophobicContact CD1-CD1 3.65Å; I81-I98 HydrophobicContact CG1-CD1 4.08Å; I81-I98 HydrophobicContact CG2-CD1 3.92Å; I81-I98 HydrophobicContact CG2-CG1 3.91Å; I81-I98 HydrophobicContact CG2-CG2 4.46Å; T96-I98 HydrophobicContact CG2-CG1 3.86Å; T96-I98 PolarHBondContact O-N 2.84Å; I98-A137 WeakPolarHBondContact CA-O 3.47Å; I98-A137 HydrophobicContact CG1-CB 4.45Å; I98-M139 HydrophobicContact CG2-SD 4.41Å; I98-L144 HydrophobicContact CG2-CD1 3.82Å; I98-L144 HydrophobicContact CG2-CD2 4.01Å; I98-I149 WeakPolarHBondContact CA-O 3.24Å; I98-I149 HydrophobicContact CB-CB 4.43Å; I98-I149 WeakPolarHBondContact CB-O 2.9Å; I98-I149 PolarHBondContact N-O 2.92Å; I98-I149 PolarHBondContact O-N 2.82Å; I98-D151 HydrophobicContact CD1-CB 4.35Å
99M95.5Very high85.5Confident15 Ų1552.8 Ų52.87%0.07430%0.295CS..EExtended strand (participates in β ladder)trans-135158.8-172.2-54.5-172.48700110.6K118 F120 A137 Q138 M139M99-K118 HydrophobicContact CE-CD 4.14Å; M99-K118 HydrophobicContact SD-CD 3.9Å; M99-F120 HydrophobicContact CE-CE2 4.39Å; M99-F120 HydrophobicContact SD-CE2 3.67Å; M99-F120 HydrophobicContact SD-CZ 4.08Å; M99-A137 PolarHBondContact N-O 3.38Å; M99-Q138 VanDerWaalsContact O-CA 3.32Å; M99-Q138 WeakPolarHBondContact O-CA 3.49Å; M99-M139 PolarHBondContact O-N 2.9Å
100H94.8Very high87.3Confident46 Ų4648.6 Ų48.621%0.21328%0.277CS..EExtended strand (participates in β ladder)trans-66.4141.8172.8179.691.1000111.3M139 N141 L144 E145H100-M139 WeakPolarHBondContact CA-O 3.42Å; H100-N141 PolarHBondContact ND1-O 3Å; H100-L144 HydrophobicContact CB-CB 3.76Å; H100-L144 WeakPolarHBondContact CB-O 3.39Å; H100-E145 VanDerWaalsContact CE1-CG 3.45Å; H100-E145 WeakPolarHBondContact CE1-CG 3.41Å; H100-E145 IonicContact CE1-OE1 2.84Å; H100-E145 VanDerWaalsContact ND1-CG 3.33Å; H100-E145 WeakPolarHBondContact ND1-CG 3.44Å
101G93Very high88.9Confident8 Ų846.4 Ų46.48%0.08227%0.267CS..  trans-155.9152.9166.600000110.3V103 M139 P140G101-V103 PolarHBondContact O-N 3.47Å; G101-M139 PolarHBondContact N-O 3.14Å; G101-M139 VanDerWaalsContact N-O 3.11Å; G101-M139 CarbonylContact O-C 3.56Å; G101-P140 VanDerWaalsContact O-CA 3.26Å; G101-P140 WeakPolarHBondContact O-CA 3.47Å; G101-P140 WeakPolarHBondContact O-CD 3.45Å
102E91.5Very high90.6Very high168 Ų16843.8 Ų43.879%0.78525%0.251SS*.SBendtrans-62-26.6179.6-64.5-75.3170.300112.8
103V91Very high92.1Very high114 Ų11443.7 Ų43.769%0.69125%0.25SC*.SBendtrans-130.4138.8-175.8-175.70000109.4G101 G105G101-V103 PolarHBondContact O-N 3.47Å; V103-G105 PolarHBondContact O-N 3.22Å
104E93.4Very high92.8Very high112 Ų11245 Ų4552%0.52326%0.26SS..  trans-64.6128.6173.1-67.7-170.8167.900111.4Q79 P82 Q138 M139Q79-E104 PolarHBondContact NE2-OE1 2.86Å; Q79-E104 VanDerWaalsContact NE2-OE1 3.14Å; P82-E104 HydrophobicContact CG-CB 4.32Å; E104-Q138 CarbonylContact C-O 3.18Å; E104-Q138 VanDerWaalsContact CA-O 3.26Å; E104-Q138 WeakPolarHBondContact CA-O 3.44Å; E104-M139 HydrophobicContact CG-CB 3.95Å
105G93.3Very high92.8Very high29 Ų2946.4 Ų46.430%0.29927%0.266SS..EExtended strand (participates in β ladder)trans-174.3167.4-179.100000113.7V103 Q138V103-G105 PolarHBondContact O-N 3.22Å; G105-Q138 PolarHBondContact N-O 3.3Å; G105-Q138 PolarHBondContact O-N 3.22Å
106V94.3Very high92.3Very high60 Ų6050.4 Ų50.436%0.36429%0.292SS..EExtended strand (participates in β ladder)trans-123.2126.9175.8-178.30000109.2P82 Q135 C136P82-V106 HydrophobicContact CB-CG2 3.96Å; V106-Q135 HydrophobicContact CG1-CB 4.08Å; V106-Q135 HydrophobicContact CG1-CG 4.45Å; V106-C136 CarbonylContact C-O 3.57Å; V106-C136 WeakPolarHBondContact CA-O 3.35Å
107I93.6Very high91.8Very high49 Ų4956.3 Ų56.325%0.25132%0.324SS..EExtended strand (participates in β ladder)trans-106.1119.5177-54.9177.9000108.5A111 L112 Q135 C136 Q138I107-A111 HydrophobicContact CG2-CB 3.96Å; I107-L112 HydrophobicContact CG2-CB 4.3Å; I107-Q135 CarbonylContact O-C 3.54Å; I107-Q135 WeakPolarHBondContact O-CA 3.4Å; I107-C136 HydrophobicContact CB-CB 4.38Å; I107-C136 PolarHBondContact N-O 3.13Å; I107-C136 PolarHBondContact O-N 2.98Å; I107-Q138 HydrophobicContact CD1-CG 4.4Å
108P93.6Very high91.3Very high84 Ų8457.8 Ų57.855%0.54533%0.33SS..EExtended strand (participates in β ladder)trans-63.7149.1175.9-22.433.4000112.9N110 A111 L112P108-N110 VanDerWaalsContact C-N 3.31Å; P108-N110 PolarHBondContact O-N 3.17Å; P108-A111 PolarHBondContact O-N 3.06Å; P108-L112 PolarHBondContact O-N 3.44Å
109G91.8Very high90.9Very high0 Ų058 Ų580%033%0.332CS..Hα-helixtrans-55.9-38.9-17500000114.5A111 L112 I113 L131 F134G109-A111 VanDerWaalsContact C-N 3.27Å; G109-A111 PolarHBondContact O-N 3.2Å; G109-L112 WeakPolarHBondContact O-CB 3.5Å; G109-L112 PolarHBondContact O-N 3.27Å; G109-L112 VanDerWaalsContact O-N 3.1Å; G109-I113 WeakPolarHBondContact O-CG2 3.26Å; G109-I113 PolarHBondContact O-N 3.35Å; G109-L131 WeakPolarHBondContact CA-O 3.42Å; G109-F134 WeakPolarHBondContact CA-O 3.49Å; G109-F134 PolarHBondContact N-O 2.99Å
110N91.3Very high90.7Very high66 Ų6657.4 Ų57.435%0.35333%0.329SS..Hα-helixtrans-60.8-34.5176.6-67.7-46.5000113P108 I113 L131 N132P108-N110 VanDerWaalsContact C-N 3.31Å; P108-N110 PolarHBondContact O-N 3.17Å; N110-I113 WeakPolarHBondContact O-CG1 3.36Å; N110-L131 WeakPolarHBondContact OD1-CB 3.47Å; N110-L131 WeakPolarHBondContact OD1-CD1 3.16Å; N110-N132 PolarHBondContact ND2-OD1 3.27Å
111A92.1Very high90.3Very high50 Ų5061.7 Ų61.741%0.41334%0.343SS..Hα-helixtrans-80.9-30.9174.900000111.6I107 P108 G109 V114I107-A111 HydrophobicContact CG2-CB 3.96Å; P108-A111 PolarHBondContact O-N 3.06Å; G109-A111 VanDerWaalsContact C-N 3.27Å; G109-A111 PolarHBondContact O-N 3.2Å; A111-V114 WeakPolarHBondContact O-CG2 3.29Å; A111-V114 PolarHBondContact O-N 2.9Å
112L90.9Very high90.1Very high1 Ų162 Ų621%0.00534%0.342CS..Hα-helixtrans-69.7-35.6-178.6-173.961.6000113.1I107 P108 G109 V114 D115 K118 F120 F134 C136I107-L112 HydrophobicContact CG2-CB 4.3Å; P108-L112 PolarHBondContact O-N 3.44Å; G109-L112 WeakPolarHBondContact O-CB 3.5Å; G109-L112 PolarHBondContact O-N 3.27Å; G109-L112 VanDerWaalsContact O-N 3.1Å; L112-V114 PolarHBondContact O-N 2.78Å; L112-D115 PolarHBondContact O-N 2.93Å; L112-K118 HydrophobicContact CD1-CB 4.31Å; L112-K118 HydrophobicContact CD1-CG 4Å; L112-F120 HydrophobicContact CD1-CD2 3.83Å; L112-F120 HydrophobicContact CD1-CE2 4.3Å; L112-F120 HydrophobicContact CD2-CB 4.47Å; L112-F120 HydrophobicContact CD2-CD2 3.6Å; L112-F120 HydrophobicContact CD2-CE2 4.09Å; L112-F120 HydrophobicContact CD2-CG 4.19Å; L112-F120 HydrophobicContact CG-CB 4.24Å; L112-F120 HydrophobicContact CG-CD2 3.6Å; L112-F120 HydrophobicContact CG-CE2 4.38Å; L112-F120 HydrophobicContact CG-CG 4.28Å; L112-F134 HydrophobicContact CD2-CD1 4.14Å; L112-F134 HydrophobicContact CD2-CE1 3.39Å; L112-F134 HydrophobicContact CD2-CE2 4.49Å; L112-F134 HydrophobicContact CD2-CZ 3.59Å; L112-F134 HydrophobicContact CG-CE1 4.28Å; L112-C136 HydrophobicContact CD1-CB 3.79Å; L112-C136 HydrophobicContact CD2-CB 3.46Å; L112-C136 VanDerWaalsContact CD2-CB 3.46Å; L112-C136 HydrophobicContact CG-CB 4.24Å
113I91.3Very high90Very high15 Ų1554 Ų548%0.07731%0.305CS..THydrogen-bonded Turntrans-73.4-13.8-179.461.6159.9000114.1G109 N110 F120 R121 L123 N124 L131G109-I113 WeakPolarHBondContact O-CG2 3.26Å; G109-I113 PolarHBondContact O-N 3.35Å; N110-I113 WeakPolarHBondContact O-CG1 3.36Å; I113-F120 WeakPolarHBondContact CG2-O 3.26Å; I113-R121 WeakPolarHBondContact O-CA 3.27Å; I113-R121 WeakPolarHBondContact O-CB 3.5Å; I113-R121 WeakPolarHBondContact O-CG 3.49Å; I113-L123 HydrophobicContact CG2-CB 4.39Å; I113-N124 HydrophobicContact CD1-CB 3.95Å; I113-N124 WeakPolarHBondContact CD1-OD1 3.42Å; I113-L131 HydrophobicContact CD1-CD1 3.55Å; I113-L131 HydrophobicContact CD1-CD2 4.23Å; I113-L131 HydrophobicContact CG2-CD2 3.6Å
114V89.4Confident89.8Confident108 Ų10853 Ų5366%0.65530%0.296SS*.THydrogen-bonded Turntrans-91.2-10.6177-62.20000112.9A111 L112 P116A111-V114 WeakPolarHBondContact O-CG2 3.29Å; A111-V114 PolarHBondContact O-N 2.9Å; L112-V114 PolarHBondContact O-N 2.78Å; V114-P116 WeakPolarHBondContact O-CD 3.46Å
115D86.2Confident89.6Confident48 Ų4852.6 Ų52.626%0.25730%0.303SS..  trans-76.6115177.7-172.4-13.3000110.6L112 N117 K118L112-D115 PolarHBondContact O-N 2.93Å; D115-N117 PolarHBondContact O-N 2.96Å; D115-N117 WeakPolarHBondContact OD1-CB 3.44Å; D115-N117 PolarHBondContact OD1-N 3.24Å; D115-K118 HydrophobicContact CB-CB 4.26Å; D115-K118 HydrophobicContact CB-CG 3.92Å; D115-K118 PolarHBondContact O-N 2.82Å; D115-K118 WeakPolarHBondContact OD2-CG 3.27Å
116P82.8Confident89.4Confident84 Ų8453.5 Ų53.555%0.54530%0.299SS..THydrogen-bonded Turntrans-69.2-15.9179.930.5-36.4000113.4V114 K118V114-P116 WeakPolarHBondContact O-CD 3.46Å; P116-K118 VanDerWaalsContact C-N 3.29Å
117N84.2Confident89.1Confident126 Ų12652 Ų5267%0.67430%0.295SS*.THydrogen-bonded Turntrans-88.72.8-179.9-57.1-46.6000112.5D115D115-N117 PolarHBondContact O-N 2.96Å; D115-N117 WeakPolarHBondContact OD1-CB 3.44Å; D115-N117 PolarHBondContact OD1-N 3.24Å
118K86.6Confident88.8Confident30 Ų3054.9 Ų54.913%0.1331%0.311CS..SBendtrans-118.6143.6-178.1-61.1-67.7-173.1177.60111.2M99 L112 D115 P116 F120M99-K118 HydrophobicContact CE-CD 4.14Å; M99-K118 HydrophobicContact SD-CD 3.9Å; L112-K118 HydrophobicContact CD1-CB 4.31Å; L112-K118 HydrophobicContact CD1-CG 4Å; D115-K118 HydrophobicContact CB-CB 4.26Å; D115-K118 HydrophobicContact CB-CG 3.92Å; D115-K118 PolarHBondContact O-N 2.82Å; D115-K118 WeakPolarHBondContact OD2-CG 3.27Å; P116-K118 VanDerWaalsContact C-N 3.29Å; K118-F120 HydrophobicContact CB-CD2 3.84Å; K118-F120 HydrophobicContact CB-CE2 4.36Å; K118-F120 PolarHBondContact O-N 3.33Å
119P87.5Confident88.6Confident6 Ų654.4 Ų54.44%0.03931%0.307CS..THydrogen-bonded Turntrans-67-0.2-178.813.2-17.6000115.6N55 M58 W175N55-P119 WeakPolarHBondContact ND2-CB 3.48Å; N55-P119 WeakPolarHBondContact ND2-CD 3.48Å; N55-P119 WeakPolarHBondContact ND2-CG 3.44Å; N55-P119 WeakPolarHBondContact OD1-CD 3.37Å; M58-P119 HydrophobicContact SD-CG 4.18Å; P119-W175 WeakPolarHBondContact O-CH2 3.28Å
120F91.1Very high88.6Confident1 Ų154.4 Ų54.40%0.00431%0.307CS..THydrogen-bonded Turntrans-95.5-6.4-159-55.8-55.3000114.2A97 M99 L112 I113 K118 K122 L123 F134 I150 W175 F176A97-F120 HydrophobicContact CB-CE1 4.39Å; A97-F120 HydrophobicContact CB-CE2 4.01Å; A97-F120 HydrophobicContact CB-CZ 3.69Å; M99-F120 HydrophobicContact CE-CE2 4.39Å; M99-F120 HydrophobicContact SD-CE2 3.67Å; M99-F120 HydrophobicContact SD-CZ 4.08Å; L112-F120 HydrophobicContact CD1-CD2 3.83Å; L112-F120 HydrophobicContact CD1-CE2 4.3Å; L112-F120 HydrophobicContact CD2-CB 4.47Å; L112-F120 HydrophobicContact CD2-CD2 3.6Å; L112-F120 HydrophobicContact CD2-CE2 4.09Å; L112-F120 HydrophobicContact CD2-CG 4.19Å; L112-F120 HydrophobicContact CG-CB 4.24Å; L112-F120 HydrophobicContact CG-CD2 3.6Å; L112-F120 HydrophobicContact CG-CE2 4.38Å; L112-F120 HydrophobicContact CG-CG 4.28Å; I113-F120 WeakPolarHBondContact CG2-O 3.26Å; K118-F120 HydrophobicContact CB-CD2 3.84Å; K118-F120 HydrophobicContact CB-CE2 4.36Å; K118-F120 PolarHBondContact O-N 3.33Å; F120-K122 PolarHBondContact O-N 2.55Å; F120-L123 HydrophobicContact CB-CD1 4.03Å; F120-L123 HydrophobicContact CD1-CD1 4.03Å; F120-L123 HydrophobicContact CG-CD1 4.42Å; F120-L123 VanDerWaalsContact O-CB 3.23Å; F120-L123 WeakPolarHBondContact O-CB 2.99Å; F120-L123 PolarHBondContact O-N 3.16Å; F120-F134 HydrophobicContact CB-CE1 3.87Å; F120-F134 HydrophobicContact CB-CZ 4.19Å; F120-F134 HydrophobicContact CD1-CE1 4.22Å; F120-F134 AromaticContact CD1-CZ 3.67Å; F120-F134 HydrophobicContact CD1-CZ 3.67Å; F120-F134 HydrophobicContact CD2-CE1 4.48Å; F120-F134 HydrophobicContact CD2-CZ 4.19Å; F120-F134 HydrophobicContact CE1-CZ 4.07Å; F120-F134 AromaticContact CG-CE1 3.94Å; F120-F134 HydrophobicContact CG-CE1 3.94Å; F120-F134 AromaticContact CG-CZ 3.74Å; F120-F134 HydrophobicContact CG-CZ 3.74Å; F120-F134 HydrophobicContact CZ-CZ 4.48Å; F120-I150 HydrophobicContact CE1-CD1 4.31Å; F120-I150 HydrophobicContact CZ-CD1 4.27Å; F120-W175 HydrophobicContact CD1-CH2 4.37Å; F120-F176 HydrophobicContact CE1-CE1 4.22Å
121R88.1Confident88.6Confident137 Ų13751.3 Ų51.352%0.51729%0.29SS..G310 helixtrans-52.1-36.3-179-174.7172.5-171.8175.44.7113.6I113 L123 N124I113-R121 WeakPolarHBondContact O-CA 3.27Å; I113-R121 WeakPolarHBondContact O-CB 3.5Å; I113-R121 WeakPolarHBondContact O-CG 3.49Å; R121-L123 PolarHBondContact O-N 3.29Å; R121-N124 WeakPolarHBondContact O-CB 3.32Å; R121-N124 PolarHBondContact O-N 3.35Å
122K87.1Confident88.5Confident14 Ų1454.4 Ų54.46%0.06130%0.3CS..G310 helixtrans-74.82.8-179.9-64.3172-177.1166.50114.1L46 S47 E49 D52 F120 P125 W175L46-K122 HydrophobicContact CB-CD 4.18Å; L46-K122 HydrophobicContact CD1-CB 4.01Å; L46-K122 HydrophobicContact CD1-CD 4.12Å; L46-K122 HydrophobicContact CD1-CG 3.79Å; S47-K122 VanDerWaalsContact O-CE 3.23Å; S47-K122 WeakPolarHBondContact O-CE 3.03Å; S47-K122 PolarHBondContact O-NZ 3.03Å; E49-K122 WeakPolarHBondContact OE1-CE 3.39Å; D52-K122 IonicContact OD1-NZ 3.9Å; D52-K122 IonicContact OD2-NZ 3.13Å; D52-K122 PolarHBondContact OD2-NZ 2.9Å; F120-K122 PolarHBondContact O-N 2.55Å; K122-P125 VanDerWaalsContact O-CD 3.25Å; K122-P125 WeakPolarHBondContact O-CD 3.44Å; K122-W175 HydrophobicContact CB-CZ2 3.99Å
123L89.8Confident88.4Confident0 Ų058 Ų580%031%0.313CS..G310 helixtrans-84.2-11.9169.9-67.6173000113.2I113 F120 R121 P125 F126 F130 L131 F134 W175 F176I113-L123 HydrophobicContact CG2-CB 4.39Å; F120-L123 HydrophobicContact CB-CD1 4.03Å; F120-L123 HydrophobicContact CD1-CD1 4.03Å; F120-L123 HydrophobicContact CG-CD1 4.42Å; F120-L123 VanDerWaalsContact O-CB 3.23Å; F120-L123 WeakPolarHBondContact O-CB 2.99Å; F120-L123 PolarHBondContact O-N 3.16Å; R121-L123 PolarHBondContact O-N 3.29Å; L123-P125 VanDerWaalsContact C-N 3.29Å; L123-F126 HydrophobicContact CB-CD2 4.36Å; L123-F126 HydrophobicContact CD2-CD2 3.75Å; L123-F126 HydrophobicContact CD2-CE2 3.68Å; L123-F126 WeakPolarHBondContact O-CB 3.13Å; L123-F126 WeakPolarHBondContact O-CD2 3.42Å; L123-F126 PolarHBondContact O-N 2.82Å; L123-F130 HydrophobicContact CB-CE1 3.96Å; L123-F130 HydrophobicContact CD1-CE1 4.03Å; L123-F130 HydrophobicContact CD1-CZ 4.35Å; L123-F130 HydrophobicContact CD2-CE1 4.08Å; L123-F130 HydrophobicContact CD2-CZ 4.37Å; L123-F130 HydrophobicContact CG-CE1 4.26Å; L123-L131 HydrophobicContact CB-CD2 4.49Å; L123-F134 HydrophobicContact CD1-CD1 3.94Å; L123-F134 HydrophobicContact CD1-CE1 3.42Å; L123-F134 VanDerWaalsContact CD1-CE1 3.42Å; L123-F134 HydrophobicContact CD1-CE2 4.37Å; L123-F134 HydrophobicContact CD1-CZ 3.68Å; L123-W175 HydrophobicContact CD1-CH2 4.22Å; L123-W175 HydrophobicContact CD1-CZ3 4.13Å; L123-W175 HydrophobicContact CD2-CD2 3.52Å; L123-W175 HydrophobicContact CD2-CE3 3.46Å; L123-W175 VanDerWaalsContact CD2-CE3 3.46Å; L123-W175 HydrophobicContact CD2-CG 4.16Å; L123-W175 HydrophobicContact CD2-CH2 4.01Å; L123-W175 HydrophobicContact CD2-CZ2 4.03Å; L123-W175 HydrophobicContact CD2-CZ3 3.72Å; L123-W175 HydrophobicContact CG-CD2 4.37Å; L123-W175 HydrophobicContact CG-CE3 4.23Å; L123-W175 HydrophobicContact CG-CH2 3.86Å; L123-W175 HydrophobicContact CG-CZ2 3.97Å; L123-W175 HydrophobicContact CG-CZ3 3.98Å; L123-F176 HydrophobicContact CD1-CZ 4.12Å
124N87.5Confident88.6Confident93 Ų9357.5 Ų57.550%0.49731%0.311SS..G310 helixtrans-50.4-38.1177.7-170.948.8000114.8I113 R121 F126 G127I113-N124 HydrophobicContact CD1-CB 3.95Å; I113-N124 WeakPolarHBondContact CD1-OD1 3.42Å; R121-N124 WeakPolarHBondContact O-CB 3.32Å; R121-N124 PolarHBondContact O-N 3.35Å; N124-F126 PolarHBondContact O-N 2.68Å; N124-F126 VanDerWaalsContact O-N 3.16Å; N124-G127 PolarHBondContact O-N 2.65Å
125P88.6Confident88.8Confident103 Ų10354.2 Ų54.267%0.66929%0.288SS*.G310 helixtrans-62-20.5178.4-24.536.3000115.3K122 L123 G127K122-P125 VanDerWaalsContact O-CD 3.25Å; K122-P125 WeakPolarHBondContact O-CD 3.44Å; L123-P125 VanDerWaalsContact C-N 3.29Å; P125-G127 PolarHBondContact O-N 2.77Å
126F88.9Confident89.2Confident49 Ų4952 Ų5222%0.21528%0.276CS..G310 helixtrans-72.8-9.1174.7-64.7-70.3000113L123 N124 F130 A171 V172 W175L123-F126 HydrophobicContact CB-CD2 4.36Å; L123-F126 HydrophobicContact CD2-CD2 3.75Å; L123-F126 HydrophobicContact CD2-CE2 3.68Å; L123-F126 WeakPolarHBondContact O-CB 3.13Å; L123-F126 WeakPolarHBondContact O-CD2 3.42Å; L123-F126 PolarHBondContact O-N 2.82Å; N124-F126 PolarHBondContact O-N 2.68Å; N124-F126 VanDerWaalsContact O-N 3.16Å; F126-F130 HydrophobicContact CB-CB 3.76Å; F126-F130 HydrophobicContact CB-CD1 3.67Å; F126-F130 HydrophobicContact CB-CG 3.78Å; F126-F130 HydrophobicContact CD2-CD1 4.48Å; F126-F130 HydrophobicContact CG-CD1 4.39Å; F126-A171 HydrophobicContact CE1-CB 3.89Å; F126-V172 HydrophobicContact CB-CG2 4.42Å; F126-V172 HydrophobicContact CD1-CG2 3.49Å; F126-V172 VanDerWaalsContact CD1-CG2 3.49Å; F126-V172 HydrophobicContact CD2-CG2 4.01Å; F126-V172 HydrophobicContact CE1-CB 4.42Å; F126-V172 HydrophobicContact CE1-CG2 3.59Å; F126-V172 HydrophobicContact CE2-CG2 4.1Å; F126-V172 HydrophobicContact CG-CG2 3.71Å; F126-V172 HydrophobicContact CZ-CB 4.42Å; F126-V172 HydrophobicContact CZ-CG2 3.9Å; F126-W175 HydrophobicContact CE2-CB 4.12Å; F126-W175 HydrophobicContact CE2-CG 4.05Å; F126-W175 HydrophobicContact CZ-CB 4Å; F126-W175 HydrophobicContact CZ-CG 4.36Å
127G87.9Confident89.8Confident28 Ų2848 Ų4829%0.28925%0.25SC..Hα-helixtrans80.1170.7170.700000114.7N124 P125 T129 F130 L131N124-G127 PolarHBondContact O-N 2.65Å; P125-G127 PolarHBondContact O-N 2.77Å; G127-T129 PolarHBondContact O-N 2.71Å; G127-F130 PolarHBondContact O-N 2.84Å; G127-F130 VanDerWaalsContact O-N 3.12Å; G127-L131 WeakPolarHBondContact O-CG 3.08Å; G127-L131 PolarHBondContact O-N 2.93Å; G127-L131 VanDerWaalsContact O-N 3.11Å
128N88.4Confident90.4Very high109 Ų10943.8 Ų43.858%0.58323%0.226SC*.Hα-helixtrans-59.2-31.5-173.8-74-26.4000113.7F130 L131 N132N128-F130 VanDerWaalsContact C-N 3.31Å; N128-F130 PolarHBondContact O-N 2.99Å; N128-L131 PolarHBondContact O-N 2.89Å; N128-N132 WeakPolarHBondContact O-CB 3.38Å; N128-N132 PolarHBondContact O-N 2.89Å; N128-N132 PolarHBondContact O-ND2 3.19Å
129T88.9Confident90.7Very high74 Ų7442.3 Ų42.345%0.45422%0.22SC..Hα-helixtrans-62.4-40178.9-46.50000111.9G127 G166G127-T129 PolarHBondContact O-N 2.71Å; T129-G166 WeakPolarHBondContact CB-O 3.14Å; T129-G166 VanDerWaalsContact CG2-O 3.3Å; T129-G166 WeakPolarHBondContact CG2-O 3.48Å
130F91.3Very high91Very high0 Ų044.9 Ų44.90%024%0.236CC..Hα-helixtrans-72-46.2173169.9-103.6000111.5F95 L123 F126 G127 N128 N132 R133 F134 Y167 V172F95-F130 AromaticContact CD2-CE2 3.6Å; F95-F130 HydrophobicContact CD2-CE2 3.6Å; F95-F130 HydrophobicContact CD2-CZ 4.39Å; F95-F130 AromaticContact CE2-CE2 3.85Å; F95-F130 HydrophobicContact CE2-CE2 3.85Å; F95-F130 HydrophobicContact CG-CE2 4.26Å; L123-F130 HydrophobicContact CB-CE1 3.96Å; L123-F130 HydrophobicContact CD1-CE1 4.03Å; L123-F130 HydrophobicContact CD1-CZ 4.35Å; L123-F130 HydrophobicContact CD2-CE1 4.08Å; L123-F130 HydrophobicContact CD2-CZ 4.37Å; L123-F130 HydrophobicContact CG-CE1 4.26Å; F126-F130 HydrophobicContact CB-CB 3.76Å; F126-F130 HydrophobicContact CB-CD1 3.67Å; F126-F130 HydrophobicContact CB-CG 3.78Å; F126-F130 HydrophobicContact CD2-CD1 4.48Å; F126-F130 HydrophobicContact CG-CD1 4.39Å; G127-F130 PolarHBondContact O-N 2.84Å; G127-F130 VanDerWaalsContact O-N 3.12Å; N128-F130 VanDerWaalsContact C-N 3.31Å; N128-F130 PolarHBondContact O-N 2.99Å; F130-N132 PolarHBondContact O-N 2.97Å; F130-R133 CarbonylContact O-C 3.55Å; F130-R133 VanDerWaalsContact O-CA 3.29Å; F130-R133 WeakPolarHBondContact O-CA 3.34Å; F130-R133 PolarHBondContact O-N 2.7Å; F130-F134 HydrophobicContact CE1-CB 3.98Å; F130-F134 HydrophobicContact CE1-CD1 4.3Å; F130-F134 HydrophobicContact CE1-CG 4.14Å; F130-F134 HydrophobicContact CE2-CB 4.46Å; F130-F134 HydrophobicContact CZ-CB 3.93Å; F130-F134 HydrophobicContact CZ-CD2 4.35Å; F130-F134 HydrophobicContact CZ-CG 4.05Å; F130-F134 PolarHBondContact O-N 3.24Å; F130-F134 VanDerWaalsContact O-N 3.15Å; F130-Y167 HydrophobicContact CB-CD1 4.2Å; F130-Y167 HydrophobicContact CB-CD2 4.4Å; F130-Y167 HydrophobicContact CB-CG 3.9Å; F130-Y167 HydrophobicContact CD2-CD1 4.28Å; F130-Y167 AromaticContact CD2-CD2 3.69Å; F130-Y167 HydrophobicContact CD2-CD2 3.69Å; F130-Y167 HydrophobicContact CD2-CE1 4.35Å; F130-Y167 AromaticContact CD2-CE2 3.75Å; F130-Y167 HydrophobicContact CD2-CE2 3.75Å; F130-Y167 AromaticContact CD2-CG 3.97Å; F130-Y167 HydrophobicContact CD2-CG 3.97Å; F130-Y167 HydrophobicContact CE2-CE2 4.27Å; F130-Y167 HydrophobicContact CG-CD2 4.45Å; F130-Y167 HydrophobicContact CG-CG 4.41Å; F130-V172 HydrophobicContact CD2-CG1 4.43Å; F130-V172 HydrophobicContact CD2-CG2 3.9Å; F130-V172 HydrophobicContact CE2-CB 4.35Å; F130-V172 HydrophobicContact CE2-CG1 3.58Å; F130-V172 HydrophobicContact CE2-CG2 3.87Å; F130-V172 HydrophobicContact CG-CG2 4.41Å; F130-V172 HydrophobicContact CZ-CG1 3.77Å; F130-V172 HydrophobicContact CZ-CG2 4.36Å
131L91.4Very high91.1Very high1 Ų145.5 Ų45.51%0.00524%0.24CC..Hα-helixtrans-63.3-29-175.8-63174000113.3G109 N110 I113 L123 G127 N128 R133 F134G109-L131 WeakPolarHBondContact CA-O 3.42Å; N110-L131 WeakPolarHBondContact OD1-CB 3.47Å; N110-L131 WeakPolarHBondContact OD1-CD1 3.16Å; I113-L131 HydrophobicContact CD1-CD1 3.55Å; I113-L131 HydrophobicContact CD1-CD2 4.23Å; I113-L131 HydrophobicContact CG2-CD2 3.6Å; L123-L131 HydrophobicContact CB-CD2 4.49Å; G127-L131 WeakPolarHBondContact O-CG 3.08Å; G127-L131 PolarHBondContact O-N 2.93Å; G127-L131 VanDerWaalsContact O-N 3.11Å; N128-L131 PolarHBondContact O-N 2.89Å; L131-R133 PolarHBondContact O-N 3.27Å; L131-F134 PolarHBondContact O-N 2.8Å; L131-F134 VanDerWaalsContact O-O 3.11Å
132N89.7Confident91Very high116 Ų11644 Ų4462%0.6224%0.239SC*.THydrogen-bonded Turntrans-71-17.6171.6-69.8-17.2000113.1N110 N128 F130N110-N132 PolarHBondContact ND2-OD1 3.27Å; N128-N132 WeakPolarHBondContact O-CB 3.38Å; N128-N132 PolarHBondContact O-N 2.89Å; N128-N132 PolarHBondContact O-ND2 3.19Å; F130-N132 PolarHBondContact O-N 2.97Å
133R90.4Very high91.1Very high77 Ų7743.3 Ų43.329%0.29124%0.236SC..THydrogen-bonded Turntrans-11124.6175.6-64174.9178-103.85.2111.4D93 C94 F95 F130 L131 R165 Y167D93-R133 IonicContact OD2-NH1 3.55Å; C94-R133 CarbonylContact C-O 3.58Å; C94-R133 WeakPolarHBondContact CA-O 3.5Å; C94-R133 HydrophobicContact CB-CB 4.4Å; C94-R133 VanDerWaalsContact CB-O 3.24Å; C94-R133 WeakPolarHBondContact CB-O 3.45Å; F95-R133 PolarHBondContact N-O 3.07Å; F130-R133 CarbonylContact O-C 3.55Å; F130-R133 VanDerWaalsContact O-CA 3.29Å; F130-R133 WeakPolarHBondContact O-CA 3.34Å; F130-R133 PolarHBondContact O-N 2.7Å; L131-R133 PolarHBondContact O-N 3.27Å; R133-R165 PolarHBondContact NE-O 3.16Å; R133-Y167 HydrophobicContact CB-CE1 4.42Å
134F93.8Very high91.3Very high4 Ų443.3 Ų43.32%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-129.6135.9172.9-179.6-129.7000108.3F95 A97 G109 L112 F120 L123 F130 L131 F176F95-F134 HydrophobicContact CB-CD2 3.63Å; F95-F134 HydrophobicContact CB-CE2 4.3Å; F95-F134 WeakPolarHBondContact O-CA 3.5Å; F95-F134 WeakPolarHBondContact O-CD2 3.4Å; A97-F134 HydrophobicContact CB-CE2 4.11Å; A97-F134 HydrophobicContact CB-CZ 4.25Å; G109-F134 WeakPolarHBondContact CA-O 3.49Å; G109-F134 PolarHBondContact N-O 2.99Å; L112-F134 HydrophobicContact CD2-CD1 4.14Å; L112-F134 HydrophobicContact CD2-CE1 3.39Å; L112-F134 HydrophobicContact CD2-CE2 4.49Å; L112-F134 HydrophobicContact CD2-CZ 3.59Å; L112-F134 HydrophobicContact CG-CE1 4.28Å; F120-F134 HydrophobicContact CB-CE1 3.87Å; F120-F134 HydrophobicContact CB-CZ 4.19Å; F120-F134 HydrophobicContact CD1-CE1 4.22Å; F120-F134 AromaticContact CD1-CZ 3.67Å; F120-F134 HydrophobicContact CD1-CZ 3.67Å; F120-F134 HydrophobicContact CD2-CE1 4.48Å; F120-F134 HydrophobicContact CD2-CZ 4.19Å; F120-F134 HydrophobicContact CE1-CZ 4.07Å; F120-F134 AromaticContact CG-CE1 3.94Å; F120-F134 HydrophobicContact CG-CE1 3.94Å; F120-F134 AromaticContact CG-CZ 3.74Å; F120-F134 HydrophobicContact CG-CZ 3.74Å; F120-F134 HydrophobicContact CZ-CZ 4.48Å; L123-F134 HydrophobicContact CD1-CD1 3.94Å; L123-F134 HydrophobicContact CD1-CE1 3.42Å; L123-F134 VanDerWaalsContact CD1-CE1 3.42Å; L123-F134 HydrophobicContact CD1-CE2 4.37Å; L123-F134 HydrophobicContact CD1-CZ 3.68Å; F130-F134 HydrophobicContact CE1-CB 3.98Å; F130-F134 HydrophobicContact CE1-CD1 4.3Å; F130-F134 HydrophobicContact CE1-CG 4.14Å; F130-F134 HydrophobicContact CE2-CB 4.46Å; F130-F134 HydrophobicContact CZ-CB 3.93Å; F130-F134 HydrophobicContact CZ-CD2 4.35Å; F130-F134 HydrophobicContact CZ-CG 4.05Å; F130-F134 PolarHBondContact O-N 3.24Å; F130-F134 VanDerWaalsContact O-N 3.15Å; L131-F134 PolarHBondContact O-N 2.8Å; L131-F134 VanDerWaalsContact O-O 3.11Å; F134-F176 HydrophobicContact CE2-CZ 4.12Å; F134-F176 HydrophobicContact CZ-CZ 4.47Å
135Q94.4Very high91.4Very high39 Ų3944 Ų4418%0.18224%0.236CC..EExtended strand (participates in β ladder)trans-148161.4179.862.2179.316.200110.3F95 T96 A97 V106 I107F95-Q135 PolarHBondContact O-N 3.34Å; T96-Q135 CarbonylContact C-O 3.6Å; T96-Q135 WeakPolarHBondContact CA-O 3.3Å; T96-Q135 HydrophobicContact CG2-CG 4.12Å; T96-Q135 PolarHBondContact OG1-NE2 3.24Å; A97-Q135 PolarHBondContact N-O 3.15Å; V106-Q135 HydrophobicContact CG1-CB 4.08Å; V106-Q135 HydrophobicContact CG1-CG 4.45Å; I107-Q135 CarbonylContact O-C 3.54Å; I107-Q135 WeakPolarHBondContact O-CA 3.4Å
136C95.4Very high91.4Very high0 Ų040.3 Ų40.30%021%0.213CC..EExtended strand (participates in β ladder)trans-117.8120.9169.4172.80000109.7A97 V106 I107 L112A97-C136 HydrophobicContact CB-CB 4.2Å; A97-C136 CarbonylContact O-C 3.6Å; A97-C136 WeakPolarHBondContact O-CA 3.45Å; A97-C136 PolarHBondContact O-SG 2.75Å; V106-C136 CarbonylContact C-O 3.57Å; V106-C136 WeakPolarHBondContact CA-O 3.35Å; I107-C136 HydrophobicContact CB-CB 4.38Å; I107-C136 PolarHBondContact N-O 3.13Å; I107-C136 PolarHBondContact O-N 2.98Å; L112-C136 HydrophobicContact CD1-CB 3.79Å; L112-C136 HydrophobicContact CD2-CB 3.46Å; L112-C136 VanDerWaalsContact CD2-CB 3.46Å; L112-C136 HydrophobicContact CG-CB 4.24Å
137A95.7Very high91.7Very high0 Ų038 Ų380%020%0.202CC..EExtended strand (participates in β ladder)trans-89.2124.5167.700000107.9I81 T96 A97 I98 M99I81-A137 HydrophobicContact CG2-CB 3.87Å; T96-A137 HydrophobicContact CG2-CB 3.93Å; A97-A137 PolarHBondContact O-N 3.06Å; I98-A137 WeakPolarHBondContact CA-O 3.47Å; I98-A137 HydrophobicContact CG1-CB 4.45Å; M99-A137 PolarHBondContact N-O 3.38Å
138Q94.9Very high92Very high38 Ų3836.8 Ų36.818%0.17819%0.19CC..EExtended strand (participates in β ladder)trans-112.2138.1175.6-67-173.3-12.200109.3M99 E104 G105 I107M99-Q138 VanDerWaalsContact O-CA 3.32Å; M99-Q138 WeakPolarHBondContact O-CA 3.49Å; E104-Q138 CarbonylContact C-O 3.18Å; E104-Q138 VanDerWaalsContact CA-O 3.26Å; E104-Q138 WeakPolarHBondContact CA-O 3.44Å; G105-Q138 PolarHBondContact N-O 3.3Å; G105-Q138 PolarHBondContact O-N 3.22Å; I107-Q138 HydrophobicContact CD1-CG 4.4Å
139M94.8Very high92.5Very high0 Ų031.6 Ų31.60%016%0.162CC..EExtended strand (participates in β ladder)trans-160.1150.2179.459.4-166.6-64.300111L77 Q79 D80 P82 I98 M99 H100 G101 E104 N141 L144L77-M139 HydrophobicContact CD1-SD 4.41Å; Q79-M139 HydrophobicContact CB-CE 3.96Å; Q79-M139 HydrophobicContact CG-CE 3.46Å; Q79-M139 VanDerWaalsContact CG-CE 3.46Å; D80-M139 VanDerWaalsContact O-CE 3.24Å; D80-M139 WeakPolarHBondContact O-CE 3.48Å; P82-M139 HydrophobicContact CG-CB 4.28Å; P82-M139 HydrophobicContact CG-SD 4.49Å; I98-M139 HydrophobicContact CG2-SD 4.41Å; M99-M139 PolarHBondContact O-N 2.9Å; H100-M139 WeakPolarHBondContact CA-O 3.42Å; G101-M139 PolarHBondContact N-O 3.14Å; G101-M139 VanDerWaalsContact N-O 3.11Å; G101-M139 CarbonylContact O-C 3.56Å; E104-M139 HydrophobicContact CG-CB 3.95Å; M139-N141 HydrophobicContact CG-CB 4.46Å; M139-N141 PolarHBondContact O-N 3.47Å; M139-L144 HydrophobicContact CG-CD1 3.45Å; M139-L144 VanDerWaalsContact CG-CD1 3.45Å; M139-L144 HydrophobicContact SD-CD1 4.05Å
140P93.8Very high92.9Very high59 Ų5928.1 Ų28.138%0.38314%0.141SC..  trans-76.2111.317329.4-31.3000108.5G101G101-P140 VanDerWaalsContact O-CA 3.26Å; G101-P140 WeakPolarHBondContact O-CA 3.47Å; G101-P140 WeakPolarHBondContact O-CD 3.45Å
141N91.9Very high93.1Very high15 Ų1528.1 Ų28.18%0.0814%0.141CC..  trans-153.9135.9177.1-175.5-71.5000109.5L77 Q79 H100 M139 V143 L144 E145L77-N141 PolarHBondContact O-ND2 2.76Å; L77-N141 VanDerWaalsContact O-ND2 3.08Å; Q79-N141 PolarHBondContact OE1-ND2 3.08Å; H100-N141 PolarHBondContact ND1-O 3Å; M139-N141 HydrophobicContact CG-CB 4.46Å; M139-N141 PolarHBondContact O-N 3.47Å; N141-V143 VanDerWaalsContact C-N 3.34Å; N141-V143 PolarHBondContact O-N 3.46Å; N141-V143 VanDerWaalsContact OD1-CB 3.26Å; N141-V143 WeakPolarHBondContact OD1-CB 3.37Å; N141-V143 PolarHBondContact OD1-N 3.15Å; N141-L144 HydrophobicContact CB-CB 4.35Å; N141-L144 HydrophobicContact CB-CD1 3.97Å; N141-L144 HydrophobicContact CB-CG 4.05Å; N141-L144 PolarHBondContact O-N 2.89Å; N141-L144 VanDerWaalsContact O-N 3.14Å; N141-E145 PolarHBondContact O-N 3.23Å
142Q85.9Confident93.2Very high104 Ų10428 Ų2849%0.48614%0.14SC..Hα-helixtrans-63.7-35.1-176.5-69.3179.410.900112.8L144 E145 Q409Q142-L144 VanDerWaalsContact C-N 3.25Å; Q142-L144 PolarHBondContact O-N 3.45Å; Q142-E145 VanDerWaalsContact O-CB 3.31Å; Q142-E145 WeakPolarHBondContact O-CB 3.48Å; Q142-E145 PolarHBondContact O-N 3.32Å; Q142-E145 VanDerWaalsContact O-N 3.11Å; Q142-Q409 CarbonylContact C-O 3.29Å; Q142-Q409 WeakPolarHBondContact CB-O 3.3Å
143V89.3Confident93.2Very high0 Ų022.6 Ų22.60%011%0.111CC..Hα-helixtrans-62-41.5176.3174.60000109.6L77 N141 E145 S146 I147 V408 Q409 G410 F413L77-V143 HydrophobicContact CD2-CB 3.7Å; L77-V143 HydrophobicContact CD2-CG1 3.72Å; L77-V143 HydrophobicContact CD2-CG2 4.35Å; N141-V143 VanDerWaalsContact C-N 3.34Å; N141-V143 PolarHBondContact O-N 3.46Å; N141-V143 VanDerWaalsContact OD1-CB 3.26Å; N141-V143 WeakPolarHBondContact OD1-CB 3.37Å; N141-V143 PolarHBondContact OD1-N 3.15Å; V143-E145 PolarHBondContact O-N 3.45Å; V143-S146 PolarHBondContact O-N 2.9Å; V143-S146 VanDerWaalsContact O-N 3.13Å; V143-I147 HydrophobicContact CG1-CD1 3.91Å; V143-I147 HydrophobicContact CG1-CG1 3.89Å; V143-I147 VanDerWaalsContact O-CG1 3.31Å; V143-I147 WeakPolarHBondContact O-CG1 3.35Å; V143-I147 PolarHBondContact O-N 3.37Å; V143-V408 HydrophobicContact CB-CG1 4.17Å; V143-V408 HydrophobicContact CG1-CG1 3.73Å; V143-V408 HydrophobicContact CG2-CG1 4.22Å; V143-Q409 WeakPolarHBondContact CA-O 3.5Å; V143-Q409 WeakPolarHBondContact CG2-O 3.35Å; V143-Q409 PolarHBondContact N-O 3.09Å; V143-G410 WeakPolarHBondContact CG2-O 3.37Å; V143-F413 HydrophobicContact CG1-CE2 3.9Å; V143-F413 HydrophobicContact CG2-CD2 3.86Å; V143-F413 HydrophobicContact CG2-CE2 4Å
144L94.3Very high93.1Very high0 Ų019 Ų190%010%0.098CC..Hα-helixtrans-73.8-16-179.5-57.2179000113K56 L77 I98 H100 M139 N141 Q142 I147 I149K56-L144 PolarHBondContact NZ-O 3.42Å; L77-L144 HydrophobicContact CD2-CD2 3.85Å; L77-L144 HydrophobicContact CD2-CG 3.92Å; I98-L144 HydrophobicContact CG2-CD1 3.82Å; I98-L144 HydrophobicContact CG2-CD2 4.01Å; H100-L144 HydrophobicContact CB-CB 3.76Å; H100-L144 WeakPolarHBondContact CB-O 3.39Å; M139-L144 HydrophobicContact CG-CD1 3.45Å; M139-L144 VanDerWaalsContact CG-CD1 3.45Å; M139-L144 HydrophobicContact SD-CD1 4.05Å; N141-L144 HydrophobicContact CB-CB 4.35Å; N141-L144 HydrophobicContact CB-CD1 3.97Å; N141-L144 HydrophobicContact CB-CG 4.05Å; N141-L144 PolarHBondContact O-N 2.89Å; N141-L144 VanDerWaalsContact O-N 3.14Å; Q142-L144 VanDerWaalsContact C-N 3.25Å; Q142-L144 PolarHBondContact O-N 3.45Å; L144-I147 CarbonylContact C-O 3.43Å; L144-I147 VanDerWaalsContact CA-O 3.24Å; L144-I147 WeakPolarHBondContact CA-O 3.37Å; L144-I149 HydrophobicContact CD2-CD1 4.5Å; L144-I149 HydrophobicContact CD2-CG1 4.49Å
145E89.8Confident92.6Very high107 Ų10718.9 Ų18.950%0.510%0.097SC..Hα-helixtrans-65.3-32.4169.2-68.7176.2-162.400111.2K56 H100 N141 Q142 V143K56-E145 WeakPolarHBondContact CD-O 3.29Å; K56-E145 WeakPolarHBondContact CE-O 3.44Å; K56-E145 VanDerWaalsContact NZ-C 3.27Å; K56-E145 VanDerWaalsContact NZ-CA 3.3Å; K56-E145 PolarHBondContact NZ-O 2.93Å; H100-E145 VanDerWaalsContact CE1-CG 3.45Å; H100-E145 WeakPolarHBondContact CE1-CG 3.41Å; H100-E145 IonicContact CE1-OE1 2.84Å; H100-E145 VanDerWaalsContact ND1-CG 3.33Å; H100-E145 WeakPolarHBondContact ND1-CG 3.44Å; N141-E145 PolarHBondContact O-N 3.23Å; Q142-E145 VanDerWaalsContact O-CB 3.31Å; Q142-E145 WeakPolarHBondContact O-CB 3.48Å; Q142-E145 PolarHBondContact O-N 3.32Å; Q142-E145 VanDerWaalsContact O-N 3.11Å; V143-E145 PolarHBondContact O-N 3.45Å
146S88.5Confident91.6Very high26 Ų2618.5 Ų18.518%0.18210%0.096CC..Hα-helixtrans-96.7-35.3-178.7-61.20000113.8V143 G407V143-S146 PolarHBondContact O-N 2.9Å; V143-S146 VanDerWaalsContact O-N 3.13Å; S146-G407 PolarHBondContact OG-O 2.92Å; S146-G407 VanDerWaalsContact OG-O 3.04Å
147I94.6Very high90Very high0 Ų021.4 Ų21.40%012%0.117CC..  trans-135.5171.6-176.458.4167.6000112.5P57 V59 V143 L144 I149 I280 L283 P284 V408P57-I147 HydrophobicContact CB-CG2 4.2Å; P57-I147 HydrophobicContact CG-CG2 4.5Å; P57-I147 CarbonylContact O-C 3.57Å; P57-I147 WeakPolarHBondContact O-CA 3.33Å; V59-I147 HydrophobicContact CG2-CD1 4.23Å; V143-I147 HydrophobicContact CG1-CD1 3.91Å; V143-I147 HydrophobicContact CG1-CG1 3.89Å; V143-I147 VanDerWaalsContact O-CG1 3.31Å; V143-I147 WeakPolarHBondContact O-CG1 3.35Å; V143-I147 PolarHBondContact O-N 3.37Å; L144-I147 CarbonylContact C-O 3.43Å; L144-I147 VanDerWaalsContact CA-O 3.24Å; L144-I147 WeakPolarHBondContact CA-O 3.37Å; I147-I149 HydrophobicContact CD1-CD1 4.42Å; I147-I149 HydrophobicContact CD1-CG1 4.28Å; I147-I280 HydrophobicContact CD1-CG2 3.88Å; I147-L283 HydrophobicContact CG2-CB 4.32Å; I147-P284 HydrophobicContact CG2-CG 4.07Å; I147-V408 HydrophobicContact CD1-CG2 4.3Å; I147-V408 HydrophobicContact CG1-CG2 4.31Å; I147-V408 HydrophobicContact CG2-CG2 3.76Å
148S95.9Very high88.1Confident3 Ų323.1 Ų23.12%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-127.4147.6166.9-64.80000109.6P57 M58 V59P57-S148 PolarHBondContact O-N 3.02Å; M58-S148 CarbonylContact C-O 3.6Å; M58-S148 VanDerWaalsContact CA-O 3.29Å; M58-S148 WeakPolarHBondContact CA-O 3.31Å; V59-S148 PolarHBondContact N-O 3.23Å
149I97.6Very high85.7Confident1 Ų124.8 Ų24.81%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-121.1133.6-173.7-54.5174.9000108.8V59 V61 I73 L76 L77 I98 L144 I147V59-I149 CarbonylContact O-C 3.54Å; V59-I149 WeakPolarHBondContact O-CA 3.44Å; V61-I149 HydrophobicContact CG2-CG2 3.88Å; I73-I149 HydrophobicContact CD1-CG2 3.79Å; I73-I149 HydrophobicContact CG1-CG2 3.87Å; I73-I149 HydrophobicContact CG2-CB 4.47Å; I73-I149 HydrophobicContact CG2-CD1 3.96Å; I73-I149 HydrophobicContact CG2-CG2 4.04Å; L76-I149 HydrophobicContact CD1-CD1 4.45Å; L77-I149 HydrophobicContact CD2-CD1 4.2Å; I98-I149 WeakPolarHBondContact CA-O 3.24Å; I98-I149 HydrophobicContact CB-CB 4.43Å; I98-I149 WeakPolarHBondContact CB-O 2.9Å; I98-I149 PolarHBondContact N-O 2.92Å; I98-I149 PolarHBondContact O-N 2.82Å; L144-I149 HydrophobicContact CD2-CD1 4.5Å; L144-I149 HydrophobicContact CD2-CG1 4.49Å; I147-I149 HydrophobicContact CD1-CD1 4.42Å; I147-I149 HydrophobicContact CD1-CG1 4.28Å
150I97.3Very high83.4Confident0 Ų034.7 Ų34.70%020%0.198CC..EExtended strand (participates in β ladder)trans-108.3107.8175.7-51.8-58.1000108.1V59 L60 V61 F95 T96 A97 F120 F176V59-I150 PolarHBondContact O-N 3.41Å; L60-I150 HydrophobicContact CD1-CB 3.74Å; L60-I150 HydrophobicContact CD1-CG2 3.61Å; V61-I150 PolarHBondContact N-O 2.87Å; F95-I150 HydrophobicContact CD1-CG2 4.42Å; T96-I150 WeakPolarHBondContact O-CA 3.42Å; A97-I150 HydrophobicContact CB-CD1 3.63Å; F120-I150 HydrophobicContact CE1-CD1 4.31Å; F120-I150 HydrophobicContact CZ-CD1 4.27Å; I150-F176 HydrophobicContact CD1-CE1 4.17Å; I150-F176 HydrophobicContact CG1-CD1 4.2Å; I150-F176 HydrophobicContact CG1-CE1 4.06Å; I150-F176 HydrophobicContact CG2-CD1 4.23Å; I150-F176 HydrophobicContact CG2-CE1 3.93Å; I150-F176 HydrophobicContact CG2-CZ 4.11Å
151D95.9Very high81.4Confident0 Ų036.8 Ų36.80%020%0.203CC..EExtended strand (participates in β ladder)trans-80.9135.6168.6-162.24.5000109.4T70 I73 F95 T96 I98T70-D151 PolarHBondContact OG1-OD2 3.33Å; I73-D151 HydrophobicContact CD1-CB 3.48Å; I73-D151 VanDerWaalsContact CD1-CB 3.48Å; F95-D151 WeakPolarHBondContact CA-O 3.37Å; T96-D151 PolarHBondContact N-O 3.45Å; T96-D151 PolarHBondContact O-N 3.13Å; I98-D151 HydrophobicContact CD1-CB 4.35Å
152T94.1Very high79.3Confident0 Ų046.1 Ų46.10%024%0.237CC..  trans-109.5149.8-178.865.20000111.3L60 V61 V62 K69 F95 L173L60-T152 HydrophobicContact CD1-CG2 3.51Å; L60-T152 HydrophobicContact CG-CG2 4.32Å; V61-T152 WeakPolarHBondContact O-CB 3.45Å; V61-T152 VanDerWaalsContact O-CG2 3.28Å; V61-T152 WeakPolarHBondContact O-CG2 3.39Å; V61-T152 PolarHBondContact O-N 3.13Å; V61-T152 PolarHBondContact O-OG1 2.68Å; V62-T152 WeakPolarHBondContact CA-OG1 3.16Å; V62-T152 HydrophobicContact CG2-CG2 4.29Å; K69-T152 WeakPolarHBondContact CE-O 3.34Å; F95-T152 HydrophobicContact CD1-CG2 3.85Å; F95-T152 HydrophobicContact CE1-CG2 3.62Å; T152-L173 HydrophobicContact CG2-CD1 4.5Å
153P89.9Confident77.6Confident2 Ų247.3 Ų47.31%0.01325%0.251CS..PPolyproline II helixtrans-55.6143.4169.2-2028.1000110.9F95 I155 F169F95-P153 HydrophobicContact CD2-CG 3.78Å; F95-P153 HydrophobicContact CE2-CG 3.99Å; F95-P153 HydrophobicContact CG-CG 4.35Å; P153-I155 PolarHBondContact O-N 3.28Å; P153-F169 HydrophobicContact CG-CE2 4.5Å
154G87.8Confident76.2Confident1 Ų151.4 Ų51.41%0.0128%0.279CS..PPolyproline II helixtrans-53.9140172.900000111.6Y65 R165Y65-G154 WeakPolarHBondContact CE2-O 3.38Å; Y65-G154 PolarHBondContact OH-O 3.35Å; G154-R165 PolarHBondContact O-NH2 2.79Å
155I83.7Confident75.2Confident1 Ų153.1 Ų53.11%0.00529%0.286CS..BIsolated β-bridgetrans-82.1128.1171.8-62.1163.4000108.6V62 G63 Q64 Y65 P153 F169 E197 F198 A201V62-I155 HydrophobicContact CG1-CD1 3.82Å; G63-I155 PolarHBondContact O-N 3.31Å; G63-I155 VanDerWaalsContact O-N 3.14Å; Q64-I155 WeakPolarHBondContact CA-O 3.41Å; Y65-I155 VanDerWaalsContact CD2-O 3.24Å; Y65-I155 WeakPolarHBondContact CD2-O 3.11Å; Y65-I155 PolarHBondContact N-O 3.16Å; P153-I155 PolarHBondContact O-N 3.28Å; I155-F169 HydrophobicContact CD1-CE1 3.85Å; I155-F169 HydrophobicContact CD1-CZ 4.23Å; I155-F169 HydrophobicContact CG1-CE1 3.6Å; I155-F169 HydrophobicContact CG1-CZ 3.84Å; I155-E197 HydrophobicContact CG2-CG 4.09Å; I155-F198 HydrophobicContact CB-CD2 3.79Å; I155-F198 HydrophobicContact CB-CE2 4.47Å; I155-F198 HydrophobicContact CD1-CD2 3.46Å; I155-F198 VanDerWaalsContact CD1-CD2 3.46Å; I155-F198 HydrophobicContact CD1-CE2 3.59Å; I155-F198 HydrophobicContact CG1-CD2 4.21Å; I155-F198 HydrophobicContact CG2-CB 4.12Å; I155-F198 HydrophobicContact CG2-CD2 3.88Å; I155-A201 HydrophobicContact CD1-CB 3.76Å; I155-A201 HydrophobicContact CG1-CB 4.4Å; I155-A201 HydrophobicContact CG2-CB 4.38Å
156L73.2Confident74.8Confident31 Ų3149.8 Ų49.816%0.16228%0.28CS..PPolyproline II helixtrans-72.9151-173.9-64.3160.5000109.2Y65 Q161Y65-L156 HydrophobicContact CD2-CD2 3.81Å; Y65-L156 HydrophobicContact CD2-CG 4.33Å; Y65-L156 HydrophobicContact CE2-CB 4.14Å; Y65-L156 HydrophobicContact CE2-CD2 3.08Å; Y65-L156 HydrophobicContact CE2-CG 3.47Å; Y65-L156 VanDerWaalsContact CE2-CG 3.47Å; L156-Q161 HydrophobicContact CB-CB 4.45Å; L156-Q161 HydrophobicContact CD1-CB 4.01Å; L156-Q161 VanDerWaalsContact CD2-OE1 3.22Å
157S61.7Low74.7Confident62 Ų6249.8 Ų49.843%0.43428%0.276SS..  trans-106.9106.3170.552.10000109.4
158G55.7Low74.3Confident36 Ų3654.2 Ų54.237%0.37130%0.3SS..SBendtrans122.6146161.900000116.9K160 Q161G158-K160 VanDerWaalsContact C-N 3.25Å; G158-K160 PolarHBondContact O-N 2.99Å; G158-K160 VanDerWaalsContact O-N 3.08Å; G158-Q161 PolarHBondContact O-N 3.47Å
159A44.2Very low73.9Confident73 Ų7354.6 Ų54.660%0.60330%0.301SS*.G310 helixtrans-61.8-19.9-171.200000116Q161 R162A159-Q161 VanDerWaalsContact C-N 3.33Å; A159-R162 WeakPolarHBondContact O-CG 3.34Å
160K46.7Very low73.5Confident207 Ų20756 Ų5690%0.931%0.311SS*.G310 helixtrans-79.2-13.4179.7-72.5-173.8179.1179.40113.8G158G158-K160 VanDerWaalsContact C-N 3.25Å; G158-K160 PolarHBondContact O-N 2.99Å; G158-K160 VanDerWaalsContact O-N 3.08Å
161Q51.3Low73Confident103 Ų10357 Ų5748%0.48132%0.319SS..G310 helixtrans-103.417.3176.4-62.8-178.2-28.200112.8L156 G158 A159 V163L156-Q161 HydrophobicContact CB-CB 4.45Å; L156-Q161 HydrophobicContact CD1-CB 4.01Å; L156-Q161 VanDerWaalsContact CD2-OE1 3.22Å; G158-Q161 PolarHBondContact O-N 3.47Å; A159-Q161 VanDerWaalsContact C-N 3.33Å; Q161-V163 PolarHBondContact O-N 3.25Å
162R47.4Very low72.8Confident212 Ų21257 Ų5780%0.832%0.319SS*.  trans-55.5-6.8166.7-83.5-177.4177.5175.30.3114.2A159 S164A159-R162 WeakPolarHBondContact O-CG 3.34Å; R162-S164 VanDerWaalsContact C-N 3.28Å; R162-S164 PolarHBondContact O-N 2.87Å
163V49.9Very low72.7Confident129 Ų12957 Ų5778%0.78232%0.319SS*.SBendtrans-74.883.2-177.6-170.60000110.3Q161Q161-V163 PolarHBondContact O-N 3.25Å
164S61.3Low72.8Confident85 Ų8561.5 Ų61.559%0.59434%0.335SS*.  trans5980.1140.1-160.50000116.8R162 G166R162-S164 VanDerWaalsContact C-N 3.28Å; R162-S164 PolarHBondContact O-N 2.87Å; S164-G166 PolarHBondContact O-N 3.38Å; S164-G166 VanDerWaalsContact O-N 3.13Å; S164-G166 PolarHBondContact OG-N 3.17Å
165R72.8Confident72.9Confident36 Ų3662.3 Ų62.314%0.13634%0.338CS..  trans-53.8-22.2151-66.9-176.3-168.7-141.7-7.9111.3R133 G154 Y167R133-R165 PolarHBondContact NE-O 3.16Å; G154-R165 PolarHBondContact O-NH2 2.79Å; R165-Y167 VanDerWaalsContact C-N 3.27Å; R165-Y167 HydrophobicContact CB-CD1 3.97Å; R165-Y167 HydrophobicContact CB-CE1 3.65Å; R165-Y167 WeakPolarHBondContact O-CD1 3.39Å; R165-Y167 WeakPolarHBondContact O-CE1 3.27Å
166G80.3Confident73.3Confident37 Ų3762.3 Ų62.338%0.38134%0.338SS..SBendtrans79.910.9178.400000113.3T129 S164T129-G166 WeakPolarHBondContact CB-O 3.14Å; T129-G166 VanDerWaalsContact CG2-O 3.3Å; T129-G166 WeakPolarHBondContact CG2-O 3.48Å; S164-G166 PolarHBondContact O-N 3.38Å; S164-G166 VanDerWaalsContact O-N 3.13Å; S164-G166 PolarHBondContact OG-N 3.17Å
167Y86.4Confident74.2Confident27 Ų2760.8 Ų60.811%0.10633%0.33CS..SBendtrans-151.2160.7173.763.8-88.2000109.9F95 F130 R133 R165 F169 V172F95-Y167 AromaticContact CE2-CE2 3.86Å; F95-Y167 HydrophobicContact CE2-CE2 3.86Å; F95-Y167 WeakPolarHBondContact CE2-OH 3.43Å; F130-Y167 HydrophobicContact CB-CD1 4.2Å; F130-Y167 HydrophobicContact CB-CD2 4.4Å; F130-Y167 HydrophobicContact CB-CG 3.9Å; F130-Y167 HydrophobicContact CD2-CD1 4.28Å; F130-Y167 AromaticContact CD2-CD2 3.69Å; F130-Y167 HydrophobicContact CD2-CD2 3.69Å; F130-Y167 HydrophobicContact CD2-CE1 4.35Å; F130-Y167 AromaticContact CD2-CE2 3.75Å; F130-Y167 HydrophobicContact CD2-CE2 3.75Å; F130-Y167 AromaticContact CD2-CG 3.97Å; F130-Y167 HydrophobicContact CD2-CG 3.97Å; F130-Y167 HydrophobicContact CE2-CE2 4.27Å; F130-Y167 HydrophobicContact CG-CD2 4.45Å; F130-Y167 HydrophobicContact CG-CG 4.41Å; R133-Y167 HydrophobicContact CB-CE1 4.42Å; R165-Y167 VanDerWaalsContact C-N 3.27Å; R165-Y167 HydrophobicContact CB-CD1 3.97Å; R165-Y167 HydrophobicContact CB-CE1 3.65Å; R165-Y167 WeakPolarHBondContact O-CD1 3.39Å; R165-Y167 WeakPolarHBondContact O-CE1 3.27Å; Y167-F169 HydrophobicContact CE2-CB 4.05Å; Y167-F169 HydrophobicContact CE2-CD2 4.01Å; Y167-F169 PolarHBondContact O-N 3.16Å; Y167-V172 HydrophobicContact CD2-CG2 3.93Å; Y167-V172 HydrophobicContact CE2-CG2 4.3Å
168D86.5Confident75.3Confident93 Ų9361.9 Ų61.950%0.49733%0.329SS..  trans-77.196.7177.6-175.5-19.8000110.4P170 A171 V172D168-P170 VanDerWaalsContact OD1-CD 3.26Å; D168-P170 WeakPolarHBondContact OD1-CD 3.39Å; D168-A171 HydrophobicContact CB-CB 3.88Å; D168-A171 PolarHBondContact O-N 3.34Å; D168-A171 WeakPolarHBondContact OD1-CB 3.2Å; D168-A171 PolarHBondContact OD1-N 2.9Å; D168-A171 WeakPolarHBondContact OD2-CB 3.45Å; D168-V172 WeakPolarHBondContact O-CG2 3.45Å; D168-V172 PolarHBondContact O-N 2.88Å; D168-V172 VanDerWaalsContact O-N 3.12Å
169F88.4Confident76.8Confident11 Ų1162.3 Ų62.35%0.04832%0.319CS..Hα-helixtrans-64.9-47.4-178.6178.2-95.8000113.4F95 P153 I155 Y167 A171 V172 L173 A201F95-F169 HydrophobicContact CE1-CE2 4.2Å; F95-F169 AromaticContact CE2-CD2 3.71Å; F95-F169 HydrophobicContact CE2-CD2 3.71Å; F95-F169 AromaticContact CE2-CE2 3.68Å; F95-F169 HydrophobicContact CE2-CE2 3.68Å; F95-F169 AromaticContact CZ-CD2 3.58Å; F95-F169 HydrophobicContact CZ-CD2 3.58Å; F95-F169 AromaticContact CZ-CE2 3.27Å; F95-F169 HydrophobicContact CZ-CE2 3.27Å; F95-F169 HydrophobicContact CZ-CZ 4.27Å; P153-F169 HydrophobicContact CG-CE2 4.5Å; I155-F169 HydrophobicContact CD1-CE1 3.85Å; I155-F169 HydrophobicContact CD1-CZ 4.23Å; I155-F169 HydrophobicContact CG1-CE1 3.6Å; I155-F169 HydrophobicContact CG1-CZ 3.84Å; Y167-F169 HydrophobicContact CE2-CB 4.05Å; Y167-F169 HydrophobicContact CE2-CD2 4.01Å; Y167-F169 PolarHBondContact O-N 3.16Å; F169-A171 VanDerWaalsContact C-N 3.28Å; F169-A171 PolarHBondContact O-N 3.36Å; F169-V172 PolarHBondContact O-N 2.94Å; F169-L173 HydrophobicContact CE1-CD2 4.36Å; F169-L173 WeakPolarHBondContact O-CB 3.4Å; F169-L173 PolarHBondContact O-N 3.06Å; F169-A201 HydrophobicContact CD1-CB 4.25Å; F169-A201 HydrophobicContact CE1-CB 4.05Å
170P88.5Confident79Confident31 Ų3158.9 Ų58.920%0.20129%0.29CS..Hα-helixtrans-53.9-40.4172.6-28.635.8000113.7D168 L173 R174 A204D168-P170 VanDerWaalsContact OD1-CD 3.26Å; D168-P170 WeakPolarHBondContact OD1-CD 3.39Å; P170-L173 PolarHBondContact O-N 3.24Å; P170-R174 WeakPolarHBondContact O-CB 3.44Å; P170-R174 PolarHBondContact O-N 3.11Å; P170-A204 HydrophobicContact CB-CB 4.04Å; P170-A204 WeakPolarHBondContact O-CB 3.46Å
171A87.1Confident81.2Confident20 Ų2049.9 Ų49.917%0.16525%0.252CS..Hα-helixtrans-67.8-40.6178.300000113F126 D168 F169 L173 R174 W175F126-A171 HydrophobicContact CE1-CB 3.89Å; D168-A171 HydrophobicContact CB-CB 3.88Å; D168-A171 PolarHBondContact O-N 3.34Å; D168-A171 WeakPolarHBondContact OD1-CB 3.2Å; D168-A171 PolarHBondContact OD1-N 2.9Å; D168-A171 WeakPolarHBondContact OD2-CB 3.45Å; F169-A171 VanDerWaalsContact C-N 3.28Å; F169-A171 PolarHBondContact O-N 3.36Å; A171-L173 VanDerWaalsContact C-N 3.33Å; A171-R174 PolarHBondContact O-N 3.14Å; A171-W175 PolarHBondContact O-N 3.11Å
172V92.1Very high83.2Confident0 Ų046 Ų460%023%0.233CC..Hα-helixtrans-62.8-43173174.20000110.6F95 F126 F130 Y167 D168 F169 R174 W175 F176F95-V172 HydrophobicContact CE1-CG1 3.99Å; F95-V172 HydrophobicContact CE2-CG1 3.91Å; F95-V172 HydrophobicContact CZ-CB 4.29Å; F95-V172 HydrophobicContact CZ-CG1 3.58Å; F126-V172 HydrophobicContact CB-CG2 4.42Å; F126-V172 HydrophobicContact CD1-CG2 3.49Å; F126-V172 VanDerWaalsContact CD1-CG2 3.49Å; F126-V172 HydrophobicContact CD2-CG2 4.01Å; F126-V172 HydrophobicContact CE1-CB 4.42Å; F126-V172 HydrophobicContact CE1-CG2 3.59Å; F126-V172 HydrophobicContact CE2-CG2 4.1Å; F126-V172 HydrophobicContact CG-CG2 3.71Å; F126-V172 HydrophobicContact CZ-CB 4.42Å; F126-V172 HydrophobicContact CZ-CG2 3.9Å; F130-V172 HydrophobicContact CD2-CG1 4.43Å; F130-V172 HydrophobicContact CD2-CG2 3.9Å; F130-V172 HydrophobicContact CE2-CB 4.35Å; F130-V172 HydrophobicContact CE2-CG1 3.58Å; F130-V172 HydrophobicContact CE2-CG2 3.87Å; F130-V172 HydrophobicContact CG-CG2 4.41Å; F130-V172 HydrophobicContact CZ-CG1 3.77Å; F130-V172 HydrophobicContact CZ-CG2 4.36Å; Y167-V172 HydrophobicContact CD2-CG2 3.93Å; Y167-V172 HydrophobicContact CE2-CG2 4.3Å; D168-V172 WeakPolarHBondContact O-CG2 3.45Å; D168-V172 PolarHBondContact O-N 2.88Å; D168-V172 VanDerWaalsContact O-N 3.12Å; F169-V172 PolarHBondContact O-N 2.94Å; V172-R174 VanDerWaalsContact C-N 3.34Å; V172-R174 PolarHBondContact O-N 3.19Å; V172-W175 WeakPolarHBondContact O-CB 3.26Å; V172-W175 PolarHBondContact O-N 3.28Å; V172-W175 VanDerWaalsContact O-N 3.14Å; V172-F176 HydrophobicContact CG1-CD2 3.84Å; V172-F176 HydrophobicContact CG1-CE2 3.7Å; V172-F176 WeakPolarHBondContact O-CD2 3.41Å; V172-F176 PolarHBondContact O-N 2.66Å
173L92.7Very high85.6Confident0 Ų035.9 Ų35.90%020%0.195CC..Hα-helixtrans-62.4-43.1179.8-166.768.6000111.6L60 V62 T152 F169 P170 A171 W175 F176 A177 A201 L205L60-L173 HydrophobicContact CD2-CD1 3.95Å; V62-L173 HydrophobicContact CG1-CD1 4.16Å; V62-L173 HydrophobicContact CG1-CD2 4.26Å; V62-L173 HydrophobicContact CG2-CD1 3.79Å; T152-L173 HydrophobicContact CG2-CD1 4.5Å; F169-L173 HydrophobicContact CE1-CD2 4.36Å; F169-L173 WeakPolarHBondContact O-CB 3.4Å; F169-L173 PolarHBondContact O-N 3.06Å; P170-L173 PolarHBondContact O-N 3.24Å; A171-L173 VanDerWaalsContact C-N 3.33Å; L173-W175 VanDerWaalsContact C-N 3.33Å; L173-W175 PolarHBondContact O-N 2.8Å; L173-F176 PolarHBondContact O-N 2.93Å; L173-A177 WeakPolarHBondContact O-CB 3.43Å; L173-A177 PolarHBondContact O-N 3.09Å; L173-A201 WeakPolarHBondContact CD2-O 3.45Å; L173-L205 HydrophobicContact CD1-CD2 4.47Å; L173-L205 HydrophobicContact CD2-CD1 4.38Å; L173-L205 HydrophobicContact CD2-CD2 3.89Å; L173-L205 HydrophobicContact CD2-CG 4.1Å; L173-L205 HydrophobicContact CG-CD2 3.72Å; L173-L205 HydrophobicContact CG-CG 4.47Å
174R90.3Very high87.9Confident96 Ų9629.7 Ų29.736%0.36216%0.157SC..Hα-helixtrans-59-43.4172.2-173.6179.8-63.4120-0.8111.9P170 A171 V172 F176 A177 E178 A204P170-R174 WeakPolarHBondContact O-CB 3.44Å; P170-R174 PolarHBondContact O-N 3.11Å; A171-R174 PolarHBondContact O-N 3.14Å; V172-R174 VanDerWaalsContact C-N 3.34Å; V172-R174 PolarHBondContact O-N 3.19Å; R174-F176 VanDerWaalsContact C-N 3.3Å; R174-F176 PolarHBondContact O-N 3.42Å; R174-A177 WeakPolarHBondContact O-CB 3.32Å; R174-A177 PolarHBondContact O-N 2.92Å; R174-E178 WeakPolarHBondContact O-CG 3.47Å; R174-E178 PolarHBondContact O-N 3.3Å; R174-E178 VanDerWaalsContact O-N 3.1Å; R174-A204 HydrophobicContact CB-CB 4.35Å
175W90.8Very high89.6Confident19 Ų1925.7 Ų25.77%0.07213%0.129CC..Hα-helixtrans-59.4-41.2178.3-178.3100.2000112.3P119 F120 K122 L123 F126 A171 V172 L173 R179P119-W175 WeakPolarHBondContact O-CH2 3.28Å; F120-W175 HydrophobicContact CD1-CH2 4.37Å; K122-W175 HydrophobicContact CB-CZ2 3.99Å; L123-W175 HydrophobicContact CD1-CH2 4.22Å; L123-W175 HydrophobicContact CD1-CZ3 4.13Å; L123-W175 HydrophobicContact CD2-CD2 3.52Å; L123-W175 HydrophobicContact CD2-CE3 3.46Å; L123-W175 VanDerWaalsContact CD2-CE3 3.46Å; L123-W175 HydrophobicContact CD2-CG 4.16Å; L123-W175 HydrophobicContact CD2-CH2 4.01Å; L123-W175 HydrophobicContact CD2-CZ2 4.03Å; L123-W175 HydrophobicContact CD2-CZ3 3.72Å; L123-W175 HydrophobicContact CG-CD2 4.37Å; L123-W175 HydrophobicContact CG-CE3 4.23Å; L123-W175 HydrophobicContact CG-CH2 3.86Å; L123-W175 HydrophobicContact CG-CZ2 3.97Å; L123-W175 HydrophobicContact CG-CZ3 3.98Å; F126-W175 HydrophobicContact CE2-CB 4.12Å; F126-W175 HydrophobicContact CE2-CG 4.05Å; F126-W175 HydrophobicContact CZ-CB 4Å; F126-W175 HydrophobicContact CZ-CG 4.36Å; A171-W175 PolarHBondContact O-N 3.11Å; V172-W175 WeakPolarHBondContact O-CB 3.26Å; V172-W175 PolarHBondContact O-N 3.28Å; V172-W175 VanDerWaalsContact O-N 3.14Å; L173-W175 VanDerWaalsContact C-N 3.33Å; L173-W175 PolarHBondContact O-N 2.8Å; W175-R179 VanDerWaalsContact CZ2-CD 3.47Å; W175-R179 PolarHBondContact O-NH1 2.97Å
176F93Very high90.7Very high0 Ų024 Ų240%012%0.123CC..Hα-helixtrans-69.2-45174.3-81-72.7000111.4L60 F95 F120 L123 F134 I150 V172 L173 R174 E178 R179 V180L60-F176 HydrophobicContact CD1-CB 4.04Å; L60-F176 HydrophobicContact CD1-CG 4.23Å; L60-F176 HydrophobicContact CD2-CB 3.88Å; F95-F176 HydrophobicContact CD1-CD2 4.33Å; F95-F176 AromaticContact CD1-CE2 3.81Å; F95-F176 HydrophobicContact CD1-CE2 3.81Å; F95-F176 HydrophobicContact CE1-CD2 4.12Å; F95-F176 AromaticContact CE1-CE2 3.99Å; F95-F176 HydrophobicContact CE1-CE2 3.99Å; F120-F176 HydrophobicContact CE1-CE1 4.22Å; L123-F176 HydrophobicContact CD1-CZ 4.12Å; F134-F176 HydrophobicContact CE2-CZ 4.12Å; F134-F176 HydrophobicContact CZ-CZ 4.47Å; I150-F176 HydrophobicContact CD1-CE1 4.17Å; I150-F176 HydrophobicContact CG1-CD1 4.2Å; I150-F176 HydrophobicContact CG1-CE1 4.06Å; I150-F176 HydrophobicContact CG2-CD1 4.23Å; I150-F176 HydrophobicContact CG2-CE1 3.93Å; I150-F176 HydrophobicContact CG2-CZ 4.11Å; V172-F176 HydrophobicContact CG1-CD2 3.84Å; V172-F176 HydrophobicContact CG1-CE2 3.7Å; V172-F176 WeakPolarHBondContact O-CD2 3.41Å; V172-F176 PolarHBondContact O-N 2.66Å; L173-F176 PolarHBondContact O-N 2.93Å; R174-F176 VanDerWaalsContact C-N 3.3Å; R174-F176 PolarHBondContact O-N 3.42Å; F176-E178 PolarHBondContact O-N 2.9Å; F176-R179 PolarHBondContact O-N 3Å; F176-V180 HydrophobicContact CB-CG1 4.32Å; F176-V180 HydrophobicContact CD1-CG1 4.46Å; F176-V180 WeakPolarHBondContact O-CG1 3.39Å; F176-V180 VanDerWaalsContact O-CG2 3.31Å; F176-V180 WeakPolarHBondContact O-CG2 3.24Å; F176-V180 PolarHBondContact O-N 3.3Å
177A90.8Very high91.5Very high0 Ų022.4 Ų22.40%011%0.106CC..Hα-helixtrans-54.4-37.8-179.500000113.1L173 R174 R179 I183 L205 N208 K211L173-A177 WeakPolarHBondContact O-CB 3.43Å; L173-A177 PolarHBondContact O-N 3.09Å; R174-A177 WeakPolarHBondContact O-CB 3.32Å; R174-A177 PolarHBondContact O-N 2.92Å; A177-R179 VanDerWaalsContact C-N 3.25Å; A177-R179 PolarHBondContact O-N 3.25Å; A177-I183 HydrophobicContact CB-CD1 3.87Å; A177-L205 HydrophobicContact CB-CD2 3.65Å; A177-N208 PolarHBondContact O-OD1 2.72Å; A177-K211 PolarHBondContact O-NZ 3.07Å; A177-K211 VanDerWaalsContact O-NZ 3.15Å
178E84.6Confident91.8Very high85 Ų8521.6 Ų21.640%0.39710%0.103SC..THydrogen-bonded Turntrans-64.3-25.6175.6-71.6171.8-178.100113.8R174 F176R174-E178 WeakPolarHBondContact O-CG 3.47Å; R174-E178 PolarHBondContact O-N 3.3Å; R174-E178 VanDerWaalsContact O-N 3.1Å; F176-E178 PolarHBondContact O-N 2.9Å
179R87.1Confident92.2Very high45 Ų4517.3 Ų17.317%0.178%0.08CC..THydrogen-bonded Turntrans-113.7-17.3-169.1-72.3166.4-177.368.410.1114.7M58 W175 F176 A177M58-R179 HydrophobicContact CE-CB 4.11Å; M58-R179 WeakPolarHBondContact CE-O 3.34Å; W175-R179 VanDerWaalsContact CZ2-CD 3.47Å; W175-R179 PolarHBondContact O-NH1 2.97Å; F176-R179 PolarHBondContact O-N 3Å; A177-R179 VanDerWaalsContact C-N 3.25Å; A177-R179 PolarHBondContact O-N 3.25Å
180V91.8Very high92.2Very high1 Ų121.8 Ų21.81%0.00610%0.101CC..  trans-85.4155.8179.7-600000110.1M58 L60 F176 I183 K211M58-V180 HydrophobicContact CB-CB 4.2Å; M58-V180 HydrophobicContact CB-CG1 3.88Å; M58-V180 HydrophobicContact CE-CG1 4.5Å; M58-V180 WeakPolarHBondContact O-CB 3.47Å; L60-V180 HydrophobicContact CB-CB 4.29Å; L60-V180 HydrophobicContact CB-CG1 3.99Å; L60-V180 HydrophobicContact CB-CG2 4.02Å; L60-V180 HydrophobicContact CD2-CG2 4.49Å; F176-V180 HydrophobicContact CB-CG1 4.32Å; F176-V180 HydrophobicContact CD1-CG1 4.46Å; F176-V180 WeakPolarHBondContact O-CG1 3.39Å; F176-V180 VanDerWaalsContact O-CG2 3.31Å; F176-V180 WeakPolarHBondContact O-CG2 3.24Å; F176-V180 PolarHBondContact O-N 3.3Å; V180-I183 HydrophobicContact CG2-CD1 4.14Å; V180-I183 HydrophobicContact CG2-CG1 3.54Å; V180-K211 WeakPolarHBondContact O-CD 3.32Å; V180-K211 PolarHBondContact O-NZ 2.95Å
181D91.8Very high92.1Very high17 Ų1727 Ų279%0.09112%0.121CC..SBendtrans-89-29.6178.7-66-107.7000111.6P57 M58 L283 R290P57-D181 WeakPolarHBondContact CA-OD2 3.32Å; P57-D181 HydrophobicContact CB-CB 4.17Å; P57-D181 WeakPolarHBondContact CB-OD2 3.32Å; M58-D181 PolarHBondContact N-OD2 3.12Å; M58-D181 PolarHBondContact O-N 3.47Å; D181-L283 HydrophobicContact CB-CD2 4.22Å; D181-R290 IonicContact OD1-CZ 3.62Å; D181-R290 IonicContact OD1-NE 3.39Å; D181-R290 IonicContact OD1-NH1 3.36Å; D181-R290 PolarHBondContact OD1-NH1 3.1Å
182R94.6Very high92.1Very high21 Ų2128.2 Ų28.28%0.07912%0.124CC..EExtended strand (participates in β ladder)trans-144.1142.4-177.4-160.96578.7-149.29.9111.1M58 V59 L60 I184 K211 R213 D279 L283M58-R182 PolarHBondContact O-N 3.1Å; V59-R182 CarbonylContact C-O 3.05Å; V59-R182 WeakPolarHBondContact CA-O 3.33Å; V59-R182 HydrophobicContact CG1-CB 4.38Å; V59-R182 HydrophobicContact CG2-CB 4.3Å; L60-R182 PolarHBondContact N-O 3Å; R182-I184 HydrophobicContact CG-CD1 3.89Å; R182-K211 VanDerWaalsContact CD-O 3.24Å; R182-K211 WeakPolarHBondContact CD-O 3.22Å; R182-R213 HydrophobicContact CG-CG 4.25Å; R182-D279 IonicContact CZ-OD1 2.81Å; R182-D279 IonicContact CZ-OD2 3.18Å; R182-D279 IonicContact NE-OD1 2.97Å; R182-D279 IonicContact NE-OD2 3.19Å; R182-D279 PolarHBondContact NE-OD2 3.39Å; R182-D279 IonicContact NH2-OD1 3.21Å; R182-D279 PolarHBondContact NH2-OD1 2.93Å; R182-D279 IonicContact NH2-OD2 3.67Å; R182-D279 PolarHBondContact NH2-OD2 3.15Å; R182-L283 HydrophobicContact CB-CD1 3.99Å; R182-L283 HydrophobicContact CB-CD2 4.12Å
183I97.3Very high91.6Very high0 Ų033.9 Ų33.90%015%0.15CC..EExtended strand (participates in β ladder)trans-124.6114.2177.4-54.6164.9000107.9L60 V62 A177 V180 L185 L205 N208 K211 L212 R213L60-I183 HydrophobicContact CB-CG1 4.34Å; L60-I183 HydrophobicContact CB-CG2 4.48Å; L60-I183 HydrophobicContact CD2-CG1 4.33Å; L60-I183 HydrophobicContact CD2-CG2 4.22Å; L60-I183 CarbonylContact O-C 3.55Å; L60-I183 WeakPolarHBondContact O-CA 3.37Å; V62-I183 HydrophobicContact CG2-CG2 4.12Å; A177-I183 HydrophobicContact CB-CD1 3.87Å; V180-I183 HydrophobicContact CG2-CD1 4.14Å; V180-I183 HydrophobicContact CG2-CG1 3.54Å; I183-L185 HydrophobicContact CG2-CD2 4.18Å; I183-L205 HydrophobicContact CD1-CD2 4.23Å; I183-L205 HydrophobicContact CG2-CD1 4.15Å; I183-N208 HydrophobicContact CD1-CB 4.31Å; I183-K211 HydrophobicContact CD1-CB 4.22Å; I183-K211 HydrophobicContact CG1-CB 4.36Å; I183-K211 PolarHBondContact N-O 3.41Å; I183-L212 HydrophobicContact CB-CD2 3.62Å; I183-L212 HydrophobicContact CD1-CD2 4.2Å; I183-L212 HydrophobicContact CG2-CD2 3.49Å; I183-L212 VanDerWaalsContact CG2-CD2 3.49Å; I183-L212 CarbonylContact O-C 3.4Å; I183-L212 WeakPolarHBondContact O-CA 3.46Å; I183-R213 PolarHBondContact O-N 2.92Å
184I98.2Very high91.1Very high0 Ų036 Ų360%016%0.161CC..EExtended strand (participates in β ladder)trans-94.4115.5176.3-48.2-56.5000108.5V59 L60 V62 F72 R182 L186 R213 V215 L276V59-I184 HydrophobicContact CG1-CD1 4.3Å; V59-I184 HydrophobicContact CG1-CG1 3.65Å; L60-I184 PolarHBondContact O-N 3.31Å; V62-I184 PolarHBondContact N-O 3.47Å; F72-I184 HydrophobicContact CE1-CG1 4.49Å; F72-I184 HydrophobicContact CE1-CG2 4.32Å; F72-I184 HydrophobicContact CZ-CG2 4.35Å; R182-I184 HydrophobicContact CG-CD1 3.89Å; I184-L186 HydrophobicContact CB-CD1 4.23Å; I184-L186 HydrophobicContact CG2-CD1 3.54Å; I184-L186 HydrophobicContact CG2-CG 4.44Å; I184-R213 CarbonylContact C-O 3.15Å; I184-R213 WeakPolarHBondContact CA-O 3.48Å; I184-R213 HydrophobicContact CD1-CB 3.86Å; I184-R213 HydrophobicContact CD1-CG 4.37Å; I184-V215 HydrophobicContact CG2-CB 4.24Å; I184-V215 HydrophobicContact CG2-CG2 3.48Å; I184-V215 VanDerWaalsContact CG2-CG2 3.48Å; I184-L276 HydrophobicContact CD1-CD1 4.23Å
185L96.9Very high90.6Very high0 Ų032.5 Ų32.50%015%0.152CC..EExtended strand (participates in β ladder)trans-97.8107.1173.8-66-171.6000110.3V62 I183 F187 I202 L205 L212 R213 V214 V215 F242V62-L185 HydrophobicContact CB-CD2 3.72Å; V62-L185 HydrophobicContact CG1-CD2 4.18Å; V62-L185 HydrophobicContact CG2-CD2 4.33Å; V62-L185 CarbonylContact O-C 3.59Å; V62-L185 WeakPolarHBondContact O-CA 3.36Å; I183-L185 HydrophobicContact CG2-CD2 4.18Å; L185-F187 HydrophobicContact CB-CE2 3.92Å; L185-I202 HydrophobicContact CD2-CG2 4.24Å; L185-L205 HydrophobicContact CD1-CD1 4.49Å; L185-L205 HydrophobicContact CD2-CD1 3.7Å; L185-L212 HydrophobicContact CD1-CD2 3.78Å; L185-L212 HydrophobicContact CD2-CD2 4.21Å; L185-L212 HydrophobicContact CG-CD2 3.72Å; L185-R213 PolarHBondContact N-O 2.66Å; L185-V214 HydrophobicContact CB-CG2 4.39Å; L185-V214 HydrophobicContact CD1-CG2 4.49Å; L185-V214 CarbonylContact O-C 3.42Å; L185-V214 WeakPolarHBondContact O-CA 3.41Å; L185-V215 PolarHBondContact O-N 3.23Å; L185-F242 HydrophobicContact CD1-CE2 4.45Å; L185-F242 HydrophobicContact CD1-CZ 4.32Å
186L96.3Very high90.1Very high0 Ų038.6 Ų38.60%019%0.186CC..EExtended strand (participates in β ladder)trans-90.9131.7179.9-77.785.6000112.4V61 V62 K69 F72 I184 V215V61-L186 HydrophobicContact CG1-CD1 3.44Å; V61-L186 VanDerWaalsContact CG1-CD1 3.44Å; V62-L186 PolarHBondContact O-N 2.75Å; K69-L186 HydrophobicContact CG-CD1 4.46Å; F72-L186 HydrophobicContact CB-CD2 3.91Å; F72-L186 HydrophobicContact CG-CD2 4.22Å; I184-L186 HydrophobicContact CB-CD1 4.23Å; I184-L186 HydrophobicContact CG2-CD1 3.54Å; I184-L186 HydrophobicContact CG2-CG 4.44Å; L186-V215 WeakPolarHBondContact CA-O 3.48Å; L186-V215 HydrophobicContact CG-CB 4.26Å
187F95.7Very high89.5Confident5 Ų541.1 Ų41.12%0.02220%0.198CC..EExtended strand (participates in β ladder)trans-122.1149171.3-65.2-93.9000110L185 L192 I194 F198 V214 V215 L216 N217 L234 L238L185-F187 HydrophobicContact CB-CE2 3.92Å; F187-L192 HydrophobicContact CB-CD1 4.06Å; F187-L192 HydrophobicContact CD1-CD1 3.7Å; F187-L192 HydrophobicContact CG-CD1 4.25Å; F187-I194 HydrophobicContact CD1-CD1 4.44Å; F187-I194 HydrophobicContact CD1-CG1 4.39Å; F187-I194 HydrophobicContact CE1-CD1 3.84Å; F187-I194 HydrophobicContact CE1-CG1 3.89Å; F187-F198 HydrophobicContact CD1-CE1 4.27Å; F187-F198 HydrophobicContact CE1-CD1 4.23Å; F187-F198 AromaticContact CE1-CE1 3.29Å; F187-F198 HydrophobicContact CE1-CE1 3.29Å; F187-F198 AromaticContact CE1-CZ 3.91Å; F187-F198 HydrophobicContact CE1-CZ 3.91Å; F187-F198 AromaticContact CZ-CE1 3.46Å; F187-F198 HydrophobicContact CZ-CE1 3.46Å; F187-F198 VanDerWaalsContact CZ-CE1 3.46Å; F187-F198 AromaticContact CZ-CZ 3.87Å; F187-F198 HydrophobicContact CZ-CZ 3.87Å; F187-V214 HydrophobicContact CD2-CG1 3.7Å; F187-V214 HydrophobicContact CE2-CG1 3.73Å; F187-V215 PolarHBondContact N-O 2.97Å; F187-L216 HydrophobicContact CB-CD1 4.09Å; F187-N217 WeakPolarHBondContact O-CA 3.36Å; F187-N217 WeakPolarHBondContact O-CB 3.31Å; F187-N217 PolarHBondContact O-N 3.47Å; F187-L234 HydrophobicContact CB-CD1 4.49Å; F187-L234 HydrophobicContact CB-CD2 4.48Å; F187-L234 HydrophobicContact CD1-CD1 3.57Å; F187-L234 HydrophobicContact CD2-CD1 3.79Å; F187-L234 HydrophobicContact CD2-CD2 4.29Å; F187-L234 HydrophobicContact CE1-CD1 3.52Å; F187-L234 HydrophobicContact CE2-CD1 3.79Å; F187-L234 HydrophobicContact CG-CD1 3.68Å; F187-L234 HydrophobicContact CG-CD2 4.34Å; F187-L234 HydrophobicContact CZ-CD1 3.64Å; F187-L238 HydrophobicContact CE2-CD2 4.42Å; F187-L238 HydrophobicContact CZ-CD2 3.97Å
188D93.9Very high89.2Confident10 Ų1041.2 Ų41.25%0.05320%0.198CC..EExtended strand (participates in β ladder)trans-97.5120.7176.5-173.4-39.3000109.2T67 H190 K191 L192 K218T67-D188 HydrophobicContact CG2-CB 4.31Å; D188-H190 VanDerWaalsContact C-N 3.27Å; D188-H190 PolarHBondContact O-N 3.44Å; D188-H190 WeakPolarHBondContact OD1-CA 3.09Å; D188-H190 VanDerWaalsContact OD1-CB 3.29Å; D188-H190 WeakPolarHBondContact OD1-CB 3.49Å; D188-H190 PolarHBondContact OD1-N 3.02Å; D188-K191 CarbonylContact O-C 3.6Å; D188-K191 PolarHBondContact O-N 3.5Å; D188-K191 PolarHBondContact OD1-N 2.84Å; D188-L192 WeakPolarHBondContact O-CA 3.42Å; D188-L192 PolarHBondContact O-N 2.97Å; D188-L192 VanDerWaalsContact O-N 3.1Å; D188-K218 WeakPolarHBondContact OD2-CD 3.41Å; D188-K218 WeakPolarHBondContact OD2-CE 3.46Å; D188-K218 IonicContact OD2-NZ 2.68Å; D188-K218 PolarHBondContact OD2-NZ 2.81Å
189A93.7Very high89.3Confident2 Ų238.5 Ų38.52%0.01719%0.188CC..SBendtrans-68.4-26.1-178.900000113.4L216 N217 A219 V222 L227 V230A189-L216 HydrophobicContact CB-CD1 3.82Å; A189-L216 HydrophobicContact CB-CG 3.99Å; A189-N217 WeakPolarHBondContact CB-O 3.33Å; A189-N217 PolarHBondContact N-O 3.46Å; A189-A219 HydrophobicContact CB-CB 4.46Å; A189-V222 HydrophobicContact CB-CG2 4.16Å; A189-L227 HydrophobicContact CB-CD1 4.27Å; A189-V230 HydrophobicContact CB-CG1 4.46Å
190H89Confident89.2Confident106 Ų10643 Ų4349%0.49121%0.211SC..SBendtrans-80-33.8178.4-179.469000111.8D188 M221 V222D188-H190 VanDerWaalsContact C-N 3.27Å; D188-H190 PolarHBondContact O-N 3.44Å; D188-H190 WeakPolarHBondContact OD1-CA 3.09Å; D188-H190 VanDerWaalsContact OD1-CB 3.29Å; D188-H190 WeakPolarHBondContact OD1-CB 3.49Å; D188-H190 PolarHBondContact OD1-N 3.02Å; H190-M221 HydrophobicContact CB-CB 4.12Å; H190-M221 HydrophobicContact CB-SD 4.39Å; H190-V222 HydrophobicContact CB-CG1 4.37Å
191K86.9Confident89Confident141 Ų14143 Ų4361%0.61321%0.212SC*.SBendtrans-129.859.4-178.6-65.5-179.1-177.9178.40112.1D188 E193D188-K191 CarbonylContact O-C 3.6Å; D188-K191 PolarHBondContact O-N 3.5Å; D188-K191 PolarHBondContact OD1-N 2.84Å; K191-E193 PolarHBondContact O-N 2.88Å
192L86.2Confident88.8Confident44 Ų4442.2 Ų42.223%0.2321%0.208CC..  trans-69.2104.3177.3-176.771.5000110.4F187 D188 I194 V230 A233 L234F187-L192 HydrophobicContact CB-CD1 4.06Å; F187-L192 HydrophobicContact CD1-CD1 3.7Å; F187-L192 HydrophobicContact CG-CD1 4.25Å; D188-L192 WeakPolarHBondContact O-CA 3.42Å; D188-L192 PolarHBondContact O-N 2.97Å; D188-L192 VanDerWaalsContact O-N 3.1Å; L192-I194 HydrophobicContact CD1-CD1 4.44Å; L192-I194 HydrophobicContact CD1-CG1 4.46Å; L192-V230 HydrophobicContact CB-CG1 3.82Å; L192-V230 HydrophobicContact CD2-CG1 3.76Å; L192-V230 WeakPolarHBondContact CD2-O 3.2Å; L192-V230 HydrophobicContact CG-CG1 4.29Å; L192-A233 HydrophobicContact CD2-CB 4.03Å; L192-L234 HydrophobicContact CD1-CB 4.42Å; L192-L234 HydrophobicContact CD1-CD1 4.2Å; L192-L234 HydrophobicContact CD2-CB 3.98Å
193E81.3Confident88.6Confident119 Ų11942.2 Ų42.256%0.55621%0.214SC*.  trans-126.4128.1170.6-67-174.2176.100109.3Q64 K191Q64-E193 PolarHBondContact NE2-O 3.35Å; Q64-E193 PolarHBondContact OE1-O 3.07Å; Q64-E193 VanDerWaalsContact OE1-O 3.05Å; K191-E193 PolarHBondContact O-N 2.88Å
194I82.3Confident88.1Confident44 Ų4442.3 Ų42.323%0.22622%0.215CC..  trans-116.391.5174.6-64.9175000106.6F187 L192 F198 S199 L234F187-I194 HydrophobicContact CD1-CD1 4.44Å; F187-I194 HydrophobicContact CD1-CG1 4.39Å; F187-I194 HydrophobicContact CE1-CD1 3.84Å; F187-I194 HydrophobicContact CE1-CG1 3.89Å; L192-I194 HydrophobicContact CD1-CD1 4.44Å; L192-I194 HydrophobicContact CD1-CG1 4.46Å; I194-F198 HydrophobicContact CG2-CD1 4.27Å; I194-S199 WeakPolarHBondContact CG2-OG 3.46Å; I194-L234 HydrophobicContact CD1-CD1 3.99Å
195S81.1Confident87.8Confident23 Ų2342.3 Ų42.316%0.16122%0.215CC..  trans-72161.2178.767.40000111.3E197 F198 S199S195-E197 PolarHBondContact O-N 2.69Å; S195-F198 PolarHBondContact O-N 2.79Å; S195-F198 WeakPolarHBondContact OG-CB 3.38Å; S195-F198 PolarHBondContact OG-N 2.8Å; S195-S199 PolarHBondContact O-N 2.87Å; S195-S199 PolarHBondContact O-OG 3.02Å
196D80.3Confident87.2Confident148 Ų14847.5 Ų47.579%0.79124%0.237SC*.Hα-helixtrans-59.2-38.7172.6-66.3-26.7000111.3S199 E200D196-S199 WeakPolarHBondContact O-CB 3.36Å; D196-S199 PolarHBondContact O-N 3.14Å; D196-E200 WeakPolarHBondContact O-CB 3.28Å; D196-E200 PolarHBondContact O-N 3.41Å
197E79.2Confident86.5Confident53 Ų5350.1 Ų50.125%0.24826%0.264CS..Hα-helixtrans-63.1-43.4176.5-177.9-179.7165.100111.6I155 S195 S199 E200 A201I155-E197 HydrophobicContact CG2-CG 4.09Å; S195-E197 PolarHBondContact O-N 2.69Å; E197-S199 VanDerWaalsContact C-N 3.34Å; E197-E200 PolarHBondContact O-N 2.9Å; E197-A201 VanDerWaalsContact O-CB 3.31Å; E197-A201 WeakPolarHBondContact O-CB 3.47Å; E197-A201 PolarHBondContact O-N 2.9Å
198F85.3Confident86.1Confident1 Ų151 Ų510%0.00427%0.269CS..Hα-helixtrans-65.6-40.3176.1-173.2-108.6000111.5Q64 I155 F187 I194 S195 A201 I202Q64-F198 HydrophobicContact CG-CB 4.24Å; Q64-F198 HydrophobicContact CG-CD1 4.39Å; Q64-F198 HydrophobicContact CG-CD2 3.49Å; Q64-F198 VanDerWaalsContact CG-CD2 3.49Å; Q64-F198 HydrophobicContact CG-CE2 3.88Å; Q64-F198 HydrophobicContact CG-CG 3.77Å; Q64-F198 HydrophobicContact CG-CZ 4.49Å; I155-F198 HydrophobicContact CB-CD2 3.79Å; I155-F198 HydrophobicContact CB-CE2 4.47Å; I155-F198 HydrophobicContact CD1-CD2 3.46Å; I155-F198 VanDerWaalsContact CD1-CD2 3.46Å; I155-F198 HydrophobicContact CD1-CE2 3.59Å; I155-F198 HydrophobicContact CG1-CD2 4.21Å; I155-F198 HydrophobicContact CG2-CB 4.12Å; I155-F198 HydrophobicContact CG2-CD2 3.88Å; F187-F198 HydrophobicContact CD1-CE1 4.27Å; F187-F198 HydrophobicContact CE1-CD1 4.23Å; F187-F198 AromaticContact CE1-CE1 3.29Å; F187-F198 HydrophobicContact CE1-CE1 3.29Å; F187-F198 AromaticContact CE1-CZ 3.91Å; F187-F198 HydrophobicContact CE1-CZ 3.91Å; F187-F198 AromaticContact CZ-CE1 3.46Å; F187-F198 HydrophobicContact CZ-CE1 3.46Å; F187-F198 VanDerWaalsContact CZ-CE1 3.46Å; F187-F198 AromaticContact CZ-CZ 3.87Å; F187-F198 HydrophobicContact CZ-CZ 3.87Å; I194-F198 HydrophobicContact CG2-CD1 4.27Å; S195-F198 PolarHBondContact O-N 2.79Å; S195-F198 WeakPolarHBondContact OG-CB 3.38Å; S195-F198 PolarHBondContact OG-N 2.8Å; F198-A201 PolarHBondContact O-N 2.92Å; F198-I202 HydrophobicContact CD1-CD1 4.06Å; F198-I202 HydrophobicContact CD1-CG2 4.39Å; F198-I202 HydrophobicContact CD2-CG2 4.2Å; F198-I202 HydrophobicContact CE1-CD1 3.79Å; F198-I202 HydrophobicContact CE1-CG2 3.93Å; F198-I202 HydrophobicContact CE2-CG2 3.76Å; F198-I202 HydrophobicContact CZ-CD1 4.48Å; F198-I202 HydrophobicContact CZ-CG2 3.62Å; F198-I202 VanDerWaalsContact O-CG1 3.31Å; F198-I202 WeakPolarHBondContact O-CG1 3.4Å; F198-I202 WeakPolarHBondContact O-CG2 2.98Å; F198-I202 PolarHBondContact O-N 3.33Å
199S87.3Confident85.8Confident28 Ų2852.4 Ų52.420%0.19628%0.275CS..Hα-helixtrans-63-41.1175.5-58.70000112.4I194 S195 D196 E197 G203I194-S199 WeakPolarHBondContact CG2-OG 3.46Å; S195-S199 PolarHBondContact O-N 2.87Å; S195-S199 PolarHBondContact O-OG 3.02Å; D196-S199 WeakPolarHBondContact O-CB 3.36Å; D196-S199 PolarHBondContact O-N 3.14Å; E197-S199 VanDerWaalsContact C-N 3.34Å; S199-G203 WeakPolarHBondContact O-CA 3.5Å; S199-G203 PolarHBondContact O-N 3.27Å
200E84.5Confident85.5Confident139 Ų13956.5 Ų56.565%0.6530%0.297SS*.Hα-helixtrans-65.8-45.8175.1-176.1177.9-176.100111.2D196 E197 G203 A204D196-E200 WeakPolarHBondContact O-CB 3.28Å; D196-E200 PolarHBondContact O-N 3.41Å; E197-E200 PolarHBondContact O-N 2.9Å; E200-G203 PolarHBondContact O-N 2.84Å; E200-A204 PolarHBondContact O-N 3.29Å
201A86.6Confident85.7Confident3 Ų351.9 Ų51.93%0.02528%0.275CS..Hα-helixtrans-62.2-51.7178.800000112I155 F169 L173 E197 F198 G203 A204I155-A201 HydrophobicContact CD1-CB 3.76Å; I155-A201 HydrophobicContact CG1-CB 4.4Å; I155-A201 HydrophobicContact CG2-CB 4.38Å; F169-A201 HydrophobicContact CD1-CB 4.25Å; F169-A201 HydrophobicContact CE1-CB 4.05Å; L173-A201 WeakPolarHBondContact CD2-O 3.45Å; E197-A201 VanDerWaalsContact O-CB 3.31Å; E197-A201 WeakPolarHBondContact O-CB 3.47Å; E197-A201 PolarHBondContact O-N 2.9Å; F198-A201 PolarHBondContact O-N 2.92Å; A201-G203 PolarHBondContact O-N 2.85Å; A201-A204 WeakPolarHBondContact O-CB 3.4Å; A201-A204 PolarHBondContact O-N 3.31Å
202I89.2Confident86Confident0 Ų045.2 Ų45.20%025%0.247CC..Hα-helixtrans-71.1-22.2177.173.6-172.4000111.8L185 F198 A204 L205 L238 V241 F242L185-I202 HydrophobicContact CD2-CG2 4.24Å; F198-I202 HydrophobicContact CD1-CD1 4.06Å; F198-I202 HydrophobicContact CD1-CG2 4.39Å; F198-I202 HydrophobicContact CD2-CG2 4.2Å; F198-I202 HydrophobicContact CE1-CD1 3.79Å; F198-I202 HydrophobicContact CE1-CG2 3.93Å; F198-I202 HydrophobicContact CE2-CG2 3.76Å; F198-I202 HydrophobicContact CZ-CD1 4.48Å; F198-I202 HydrophobicContact CZ-CG2 3.62Å; F198-I202 VanDerWaalsContact O-CG1 3.31Å; F198-I202 WeakPolarHBondContact O-CG1 3.4Å; F198-I202 WeakPolarHBondContact O-CG2 2.98Å; F198-I202 PolarHBondContact O-N 3.33Å; I202-A204 PolarHBondContact O-N 3.23Å; I202-L205 HydrophobicContact CB-CD1 4.18Å; I202-L205 HydrophobicContact CG2-CD1 4.47Å; I202-L205 WeakPolarHBondContact O-CB 3.42Å; I202-L205 WeakPolarHBondContact O-CG 3.41Å; I202-L205 PolarHBondContact O-N 3.48Å; I202-L238 HydrophobicContact CD1-CD2 4.42Å; I202-V241 HydrophobicContact CD1-CG1 4.09Å; I202-V241 HydrophobicContact CG1-CG1 3.81Å; I202-F242 HydrophobicContact CD1-CE2 4.5Å
203G88.4Confident86.5Confident20 Ų2045.3 Ų45.321%0.20624%0.244CC..Hα-helixtrans-60.7-22.7168.600000113.1S199 E200 A201 L205 K206S199-G203 WeakPolarHBondContact O-CA 3.5Å; S199-G203 PolarHBondContact O-N 3.27Å; E200-G203 PolarHBondContact O-N 2.84Å; A201-G203 PolarHBondContact O-N 2.85Å; G203-L205 PolarHBondContact O-N 2.65Å; G203-K206 WeakPolarHBondContact O-CB 3.45Å; G203-K206 WeakPolarHBondContact O-CG 3.31Å; G203-K206 PolarHBondContact O-N 3.23Å
204A88.1Confident87.3Confident3 Ų339.7 Ų39.73%0.02522%0.217CC..THydrogen-bonded Turntrans-68.3-15171.800000113.7P170 R174 E200 A201 I202P170-A204 HydrophobicContact CB-CB 4.04Å; P170-A204 WeakPolarHBondContact O-CB 3.46Å; R174-A204 HydrophobicContact CB-CB 4.35Å; E200-A204 PolarHBondContact O-N 3.29Å; A201-A204 WeakPolarHBondContact O-CB 3.4Å; A201-A204 PolarHBondContact O-N 3.31Å; I202-A204 PolarHBondContact O-N 3.23Å
205L90.9Very high88.1Confident0 Ų037.6 Ų37.60%021%0.207CC..THydrogen-bonded Turntrans-88.1-5.3179.3-52.1174.2000113.1L173 A177 I183 L185 I202 G203 N208 L212 F242L173-L205 HydrophobicContact CD1-CD2 4.47Å; L173-L205 HydrophobicContact CD2-CD1 4.38Å; L173-L205 HydrophobicContact CD2-CD2 3.89Å; L173-L205 HydrophobicContact CD2-CG 4.1Å; L173-L205 HydrophobicContact CG-CD2 3.72Å; L173-L205 HydrophobicContact CG-CG 4.47Å; A177-L205 HydrophobicContact CB-CD2 3.65Å; I183-L205 HydrophobicContact CD1-CD2 4.23Å; I183-L205 HydrophobicContact CG2-CD1 4.15Å; L185-L205 HydrophobicContact CD1-CD1 4.49Å; L185-L205 HydrophobicContact CD2-CD1 3.7Å; I202-L205 HydrophobicContact CB-CD1 4.18Å; I202-L205 HydrophobicContact CG2-CD1 4.47Å; I202-L205 WeakPolarHBondContact O-CB 3.42Å; I202-L205 WeakPolarHBondContact O-CG 3.41Å; I202-L205 PolarHBondContact O-N 3.48Å; G203-L205 PolarHBondContact O-N 2.65Å; L205-N208 WeakPolarHBondContact O-CB 3.23Å; L205-N208 PolarHBondContact O-N 3.38Å; L205-N208 VanDerWaalsContact O-N 3.1Å; L205-L212 HydrophobicContact CB-CD1 4.48Å; L205-L212 HydrophobicContact CD1-CD2 3.98Å; L205-F242 HydrophobicContact CB-CE1 4.4Å
206K85.7Confident88.9Confident109 Ų10936.5 Ų36.547%0.47420%0.199SC..THydrogen-bonded Turntrans-52.8140.5175.7-75.1-176.1177.6-164.70111.6G203 N208 E209 V241 F242G203-K206 WeakPolarHBondContact O-CB 3.45Å; G203-K206 WeakPolarHBondContact O-CG 3.31Å; G203-K206 PolarHBondContact O-N 3.23Å; K206-N208 VanDerWaalsContact C-N 3.32Å; K206-E209 WeakPolarHBondContact CA-OE1 3.49Å; K206-V241 WeakPolarHBondContact CE-O 3.2Å; K206-V241 PolarHBondContact NZ-O 3.11Å; K206-F242 HydrophobicContact CG-CD1 4.15Å; K206-F242 HydrophobicContact CG-CE1 4.49Å
207G81.8Confident89.6Confident54 Ų5429.7 Ų29.756%0.55716%0.163SC*.THydrogen-bonded Turntrans84.9-2-172.400000114.7E209G207-E209 WeakPolarHBondContact CA-OE2 3.32Å; G207-E209 PolarHBondContact N-OE1 3.18Å; G207-E209 PolarHBondContact N-OE2 3.21Å
208N87Confident90.4Very high23 Ų2328.7 Ų28.712%0.12316%0.157CC..  trans-123.729.9174.7-58.8-87.1000111.3A177 I183 L205 K206 D210 K211A177-N208 PolarHBondContact O-OD1 2.72Å; I183-N208 HydrophobicContact CD1-CB 4.31Å; L205-N208 WeakPolarHBondContact O-CB 3.23Å; L205-N208 PolarHBondContact O-N 3.38Å; L205-N208 VanDerWaalsContact O-N 3.1Å; K206-N208 VanDerWaalsContact C-N 3.32Å; N208-D210 PolarHBondContact O-N 2.92Å; N208-K211 HydrophobicContact CB-CD 4.24Å; N208-K211 HydrophobicContact CB-CG 4.49Å; N208-K211 WeakPolarHBondContact O-CB 3.3Å; N208-K211 PolarHBondContact O-N 3.5Å; N208-K211 VanDerWaalsContact O-N 3.07Å
209E88Confident90.9Very high41 Ų4128.6 Ų28.619%0.19216%0.157CC..G310 helixtrans-61.9-31.4-176.5-62.183.7179.300112.8K206 G207 K211 L212 F242 T244 L248K206-E209 WeakPolarHBondContact CA-OE1 3.49Å; G207-E209 WeakPolarHBondContact CA-OE2 3.32Å; G207-E209 PolarHBondContact N-OE1 3.18Å; G207-E209 PolarHBondContact N-OE2 3.21Å; E209-K211 PolarHBondContact O-N 3.22Å; E209-L212 WeakPolarHBondContact O-CB 3.43Å; E209-L212 PolarHBondContact O-N 3.4Å; E209-L212 VanDerWaalsContact O-N 3.08Å; E209-F242 HydrophobicContact CG-CD1 3.89Å; E209-F242 HydrophobicContact CG-CE1 4.49Å; E209-T244 HydrophobicContact CG-CG2 4.08Å; E209-L248 HydrophobicContact CB-CD2 4.43Å
210D87.4Confident91.3Very high88 Ų8827.3 Ų27.347%0.47115%0.148SC..G310 helixtrans-61.2-26.717560.6-42.7000113.2N208 R213 K297N208-D210 PolarHBondContact O-N 2.92Å; D210-R213 PolarHBondContact O-NH1 3.1Å; D210-K297 IonicContact OD2-NZ 3.39Å
211K91.3Very high91.7Very high9 Ų923.1 Ų23.14%0.03913%0.129CC..G310 helixtrans-87.6-12.6178.6-52.4-174.5-177.2-174.50113.1A177 V180 R182 I183 N208 E209A177-K211 PolarHBondContact O-NZ 3.07Å; A177-K211 VanDerWaalsContact O-NZ 3.15Å; V180-K211 WeakPolarHBondContact O-CD 3.32Å; V180-K211 PolarHBondContact O-NZ 2.95Å; R182-K211 VanDerWaalsContact CD-O 3.24Å; R182-K211 WeakPolarHBondContact CD-O 3.22Å; I183-K211 HydrophobicContact CD1-CB 4.22Å; I183-K211 HydrophobicContact CG1-CB 4.36Å; I183-K211 PolarHBondContact N-O 3.41Å; N208-K211 HydrophobicContact CB-CD 4.24Å; N208-K211 HydrophobicContact CB-CG 4.49Å; N208-K211 WeakPolarHBondContact O-CB 3.3Å; N208-K211 PolarHBondContact O-N 3.5Å; N208-K211 VanDerWaalsContact O-N 3.07Å; E209-K211 PolarHBondContact O-N 3.22Å
212L94.8Very high92Very high1 Ų123.7 Ų23.71%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-80137.8-173.1-74.5172.7000112.2I183 L185 L205 E209 F242 L248I183-L212 HydrophobicContact CB-CD2 3.62Å; I183-L212 HydrophobicContact CD1-CD2 4.2Å; I183-L212 HydrophobicContact CG2-CD2 3.49Å; I183-L212 VanDerWaalsContact CG2-CD2 3.49Å; I183-L212 CarbonylContact O-C 3.4Å; I183-L212 WeakPolarHBondContact O-CA 3.46Å; L185-L212 HydrophobicContact CD1-CD2 3.78Å; L185-L212 HydrophobicContact CD2-CD2 4.21Å; L185-L212 HydrophobicContact CG-CD2 3.72Å; L205-L212 HydrophobicContact CB-CD1 4.48Å; L205-L212 HydrophobicContact CD1-CD2 3.98Å; E209-L212 WeakPolarHBondContact O-CB 3.43Å; E209-L212 PolarHBondContact O-N 3.4Å; E209-L212 VanDerWaalsContact O-N 3.08Å; L212-F242 HydrophobicContact CD1-CD1 4.3Å; L212-F242 HydrophobicContact CD1-CE1 3.46Å; L212-F242 VanDerWaalsContact CD1-CE1 3.46Å; L212-F242 HydrophobicContact CD1-CE2 4.24Å; L212-F242 HydrophobicContact CD1-CZ 3.42Å; L212-F242 VanDerWaalsContact CD1-CZ 3.42Å; L212-L248 HydrophobicContact CB-CD2 3.97Å; L212-L248 HydrophobicContact CD1-CD1 4.44Å; L212-L248 HydrophobicContact CD1-CD2 4.49Å
213R96.7Very high92.2Very high46 Ų4625.2 Ų25.217%0.17415%0.148CC..EExtended strand (participates in β ladder)trans-133.5124.2168.2-62.6-64.7-179.2-10310.4107.3R182 I183 I184 L185 D210 Y251 D279R182-R213 HydrophobicContact CG-CG 4.25Å; I183-R213 PolarHBondContact O-N 2.92Å; I184-R213 CarbonylContact C-O 3.15Å; I184-R213 WeakPolarHBondContact CA-O 3.48Å; I184-R213 HydrophobicContact CD1-CB 3.86Å; I184-R213 HydrophobicContact CD1-CG 4.37Å; L185-R213 PolarHBondContact N-O 2.66Å; D210-R213 PolarHBondContact O-NH1 3.1Å; R213-Y251 HydrophobicContact CB-CD2 4.33Å; R213-Y251 HydrophobicContact CB-CE2 3.8Å; R213-Y251 WeakPolarHBondContact CD-OH 3.39Å; R213-Y251 HydrophobicContact CG-CE2 4.04Å; R213-D279 IonicContact CZ-OD1 2.77Å; R213-D279 IonicContact CZ-OD2 2.74Å; R213-D279 IonicContact NE-OD1 2.68Å; R213-D279 IonicContact NE-OD2 3.51Å; R213-D279 PolarHBondContact NE-OD2 2.84Å; R213-D279 IonicContact NH2-OD1 3.33Å; R213-D279 PolarHBondContact NH2-OD1 3.42Å; R213-D279 IonicContact NH2-OD2 3.89Å
214V97.6Very high92.5Very high0 Ų026.7 Ų26.70%015%0.153CC..EExtended strand (participates in β ladder)trans-95135.6-179.2177.30000107.8L185 F187 L234 L238 L248 R249 V250 Y251L185-V214 HydrophobicContact CB-CG2 4.39Å; L185-V214 HydrophobicContact CD1-CG2 4.49Å; L185-V214 CarbonylContact O-C 3.42Å; L185-V214 WeakPolarHBondContact O-CA 3.41Å; F187-V214 HydrophobicContact CD2-CG1 3.7Å; F187-V214 HydrophobicContact CE2-CG1 3.73Å; V214-L234 HydrophobicContact CG1-CD2 3.94Å; V214-L238 HydrophobicContact CB-CD1 4.49Å; V214-L238 HydrophobicContact CG1-CD1 4.06Å; V214-L238 HydrophobicContact CG2-CD1 3.83Å; V214-L248 HydrophobicContact CG2-CB 4.16Å; V214-L248 HydrophobicContact CG2-CD1 4.14Å; V214-R249 PolarHBondContact N-O 2.87Å; V214-V250 HydrophobicContact CB-CB 4.34Å; V214-V250 HydrophobicContact CB-CG1 4.49Å; V214-V250 HydrophobicContact CB-CG2 3.9Å; V214-V250 HydrophobicContact CG1-CB 4.41Å; V214-V250 HydrophobicContact CG1-CG1 4.12Å; V214-V250 HydrophobicContact CG1-CG2 3.93Å; V214-V250 CarbonylContact O-C 3.57Å; V214-V250 WeakPolarHBondContact O-CA 3.41Å; V214-Y251 WeakPolarHBondContact O-CD2 3.29Å; V214-Y251 PolarHBondContact O-N 3.35Å
215V98.3Very high92.8Very high0 Ų033.8 Ų33.80%019%0.186CC..EExtended strand (participates in β ladder)trans-121.1116.7177.2176.20000108.1I184 L185 L186 F187 N217 Y251 F255 L276I184-V215 HydrophobicContact CG2-CB 4.24Å; I184-V215 HydrophobicContact CG2-CG2 3.48Å; I184-V215 VanDerWaalsContact CG2-CG2 3.48Å; L185-V215 PolarHBondContact O-N 3.23Å; L186-V215 WeakPolarHBondContact CA-O 3.48Å; L186-V215 HydrophobicContact CG-CB 4.26Å; F187-V215 PolarHBondContact N-O 2.97Å; V215-N217 HydrophobicContact CG1-CB 4.33Å; V215-N217 PolarHBondContact O-N 3.29Å; V215-Y251 CarbonylContact C-O 3.57Å; V215-Y251 WeakPolarHBondContact CA-O 3.21Å; V215-Y251 HydrophobicContact CG2-CD2 4.41Å; V215-F255 HydrophobicContact CG1-CD2 3.62Å; V215-F255 HydrophobicContact CG1-CE2 3.25Å; V215-F255 HydrophobicContact CG1-CZ 3.99Å; V215-L276 HydrophobicContact CG2-CD2 3.88Å
216L97.7Very high92.9Very high0 Ų037.9 Ų37.90%021%0.205CC..EExtended strand (participates in β ladder)trans-90.989.4171.2-176.558.1000108F187 A189 L227 V230 Y231 L234 V250 Y251 I252 G253F187-L216 HydrophobicContact CB-CD1 4.09Å; A189-L216 HydrophobicContact CB-CD1 3.82Å; A189-L216 HydrophobicContact CB-CG 3.99Å; L216-L227 HydrophobicContact CD2-CD1 3.97Å; L216-V230 HydrophobicContact CD1-CG1 4.06Å; L216-V230 HydrophobicContact CD2-CG1 4.34Å; L216-Y231 HydrophobicContact CD2-CD2 4.42Å; L216-L234 HydrophobicContact CB-CD2 4.36Å; L216-L234 HydrophobicContact CD1-CD2 4.21Å; L216-V250 HydrophobicContact CB-CG1 3.99Å; L216-Y251 PolarHBondContact N-O 3.13Å; L216-I252 HydrophobicContact CB-CG1 4.47Å; L216-G253 PolarHBondContact O-N 2.87Å; L216-G253 VanDerWaalsContact O-N 3.14Å; L216-G253 VanDerWaalsContact O-O 3.14Å
217N96.9Very high93.4Very high6 Ų632.7 Ų32.73%0.03218%0.183CC..EExtended strand (participates in β ladder)trans-81.6162.4-173.8-162.917.4000112T67 F187 A189 V215 A219 G253 F255T67-N217 PolarHBondContact O-ND2 3.47Å; F187-N217 WeakPolarHBondContact O-CA 3.36Å; F187-N217 WeakPolarHBondContact O-CB 3.31Å; F187-N217 PolarHBondContact O-N 3.47Å; A189-N217 WeakPolarHBondContact CB-O 3.33Å; A189-N217 PolarHBondContact N-O 3.46Å; V215-N217 HydrophobicContact CG1-CB 4.33Å; V215-N217 PolarHBondContact O-N 3.29Å; N217-A219 PolarHBondContact O-N 2.97Å; N217-G253 CarbonylContact C-O 3.56Å; N217-G253 VanDerWaalsContact C-O 3.29Å; N217-G253 VanDerWaalsContact CA-O 3.25Å; N217-G253 WeakPolarHBondContact CA-O 3.46Å; N217-F255 PolarHBondContact OD1-N 3.09Å; N217-F255 VanDerWaalsContact OD1-N 3.11Å
218K95.6Very high94Very high31 Ų3134.5 Ų34.514%0.13518%0.178CC..  trans57.632.6-179.6-50.2-172.3-164.8164.40113S66 D188 D220 M221 G253 S254S66-K218 WeakPolarHBondContact O-CE 3.49Å; S66-K218 PolarHBondContact O-NZ 3.14Å; D188-K218 WeakPolarHBondContact OD2-CD 3.41Å; D188-K218 WeakPolarHBondContact OD2-CE 3.46Å; D188-K218 IonicContact OD2-NZ 2.68Å; D188-K218 PolarHBondContact OD2-NZ 2.81Å; K218-D220 PolarHBondContact O-N 3.37Å; K218-M221 HydrophobicContact CB-CE 4.21Å; K218-M221 HydrophobicContact CB-CG 3.93Å; K218-M221 HydrophobicContact CB-SD 3.9Å; K218-M221 HydrophobicContact CD-CE 3.81Å; K218-M221 HydrophobicContact CD-SD 3.81Å; K218-M221 HydrophobicContact CG-CE 4.23Å; K218-M221 HydrophobicContact CG-SD 4.37Å; K218-M221 WeakPolarHBondContact O-CB 3.44Å; K218-M221 WeakPolarHBondContact O-CG 3.33Å; K218-M221 PolarHBondContact O-N 3.27Å; K218-M221 VanDerWaalsContact O-N 3.12Å; K218-G253 PolarHBondContact N-O 3.03Å; K218-S254 WeakPolarHBondContact CA-OG 3.1Å
219A96Very high94.4Very high0 Ų041.3 Ų41.30%020%0.202CC..G310 helixtrans-64.5-23.3-178.800000112.8A189 N217 M221 V222 L227 I252 G253 S254 F269A189-A219 HydrophobicContact CB-CB 4.46Å; N217-A219 PolarHBondContact O-N 2.97Å; A219-M221 PolarHBondContact O-N 3.05Å; A219-V222 WeakPolarHBondContact O-CG2 3.31Å; A219-V222 PolarHBondContact O-N 3.25Å; A219-L227 HydrophobicContact CB-CD1 3.76Å; A219-L227 HydrophobicContact CB-CD2 4.29Å; A219-I252 HydrophobicContact CB-CG2 3.64Å; A219-G253 PolarHBondContact N-O 2.69Å; A219-G253 VanDerWaalsContact N-O 3.16Å; A219-S254 PolarHBondContact N-OG 3.48Å; A219-F269 HydrophobicContact CB-CD1 4.24Å; A219-F269 HydrophobicContact CB-CE1 3.49Å; A219-F269 VanDerWaalsContact CB-CE1 3.49Å; A219-F269 HydrophobicContact CB-CZ 3.75Å
220D94.2Very high94.8Very high0 Ų039.9 Ų39.90%020%0.196CC..G310 helixtrans-70.3-13.2174.376.6-54.3000114.2K218 V222 S254 L260 L261 V262 F269K218-D220 PolarHBondContact O-N 3.37Å; D220-V222 VanDerWaalsContact C-N 3.26Å; D220-V222 PolarHBondContact O-N 3.1Å; D220-S254 WeakPolarHBondContact CB-OG 3.49Å; D220-S254 PolarHBondContact N-OG 3.43Å; D220-S254 VanDerWaalsContact OD1-CB 3.27Å; D220-S254 WeakPolarHBondContact OD1-CB 3.29Å; D220-S254 PolarHBondContact OD1-OG 3Å; D220-L260 HydrophobicContact CB-CB 4.21Å; D220-L260 HydrophobicContact CB-CD2 3.74Å; D220-L260 WeakPolarHBondContact OD2-CA 3.47Å; D220-L261 PolarHBondContact OD2-N 3.45Å; D220-V262 WeakPolarHBondContact O-CB 3.14Å; D220-V262 WeakPolarHBondContact O-CG2 3.33Å; D220-V262 PolarHBondContact O-N 2.93Å; D220-F269 HydrophobicContact CB-CE2 3.89Å
221M93.1Very high95.2Very high52 Ų5239.4 Ų39.426%0.25619%0.188SC..G310 helixtrans-81.6-4.7178.2-56.8-162.7169.600113.3H190 K218 A219 W256 L261H190-M221 HydrophobicContact CB-CB 4.12Å; H190-M221 HydrophobicContact CB-SD 4.39Å; K218-M221 HydrophobicContact CB-CE 4.21Å; K218-M221 HydrophobicContact CB-CG 3.93Å; K218-M221 HydrophobicContact CB-SD 3.9Å; K218-M221 HydrophobicContact CD-CE 3.81Å; K218-M221 HydrophobicContact CD-SD 3.81Å; K218-M221 HydrophobicContact CG-CE 4.23Å; K218-M221 HydrophobicContact CG-SD 4.37Å; K218-M221 WeakPolarHBondContact O-CB 3.44Å; K218-M221 WeakPolarHBondContact O-CG 3.33Å; K218-M221 PolarHBondContact O-N 3.27Å; K218-M221 VanDerWaalsContact O-N 3.12Å; A219-M221 PolarHBondContact O-N 3.05Å; M221-W256 HydrophobicContact CE-CH2 3.24Å; M221-W256 HydrophobicContact CE-CZ2 3.72Å; M221-W256 HydrophobicContact CE-CZ3 4.09Å; M221-L261 HydrophobicContact CE-CD1 4.48Å; M221-L261 HydrophobicContact CG-CD1 4.07Å
222V94.3Very high95.3Very high14 Ų1440.7 Ų40.79%0.08520%0.204CC..SBendtrans-132144.8-176.1-65.10000110.5A189 H190 A219 D220 Q226 L227A189-V222 HydrophobicContact CB-CG2 4.16Å; H190-V222 HydrophobicContact CB-CG1 4.37Å; A219-V222 WeakPolarHBondContact O-CG2 3.31Å; A219-V222 PolarHBondContact O-N 3.25Å; D220-V222 VanDerWaalsContact C-N 3.26Å; D220-V222 PolarHBondContact O-N 3.1Å; V222-Q226 HydrophobicContact CB-CB 4.27Å; V222-Q226 HydrophobicContact CB-CG 4.13Å; V222-Q226 HydrophobicContact CG1-CG 4.25Å; V222-L227 HydrophobicContact CG2-CB 4.01Å; V222-L227 HydrophobicContact CG2-CD1 4.08Å
223G93.3Very high95.3Very high33 Ų3343 Ų4334%0.3422%0.223SC..  trans-69.1159.7174.500000112.5Q225 Q226 L227G223-Q225 VanDerWaalsContact C-N 3.34Å; G223-Q225 PolarHBondContact O-N 3.11Å; G223-Q226 PolarHBondContact O-N 3.33Å; G223-L227 PolarHBondContact O-N 3.05Å
224T93.6Very high95.2Very high51 Ų5140.8 Ų40.831%0.31321%0.214SC..Hα-helixtrans-52.8-43.4-172.7-50.80000114.3Q226 L227 M228 N265T224-Q226 PolarHBondContact O-N 3.36Å; T224-L227 WeakPolarHBondContact O-CB 3.25Å; T224-L227 PolarHBondContact O-N 3.25Å; T224-M228 WeakPolarHBondContact O-CG 3.42Å; T224-M228 PolarHBondContact O-N 2.87Å; T224-M228 VanDerWaalsContact O-N 3.1Å; T224-N265 WeakPolarHBondContact CG2-OD1 3.41Å; T224-N265 PolarHBondContact OG1-ND2 2.73Å; T224-N265 PolarHBondContact OG1-OD1 2.89Å; T224-N265 VanDerWaalsContact OG1-OD1 3.13Å
225Q93.8Very high94.9Very high151 Ų15142.7 Ų42.771%0.70622%0.224SC*.Hα-helixtrans-66.1-38.5178.9-67.8-174.20.600112.7G223 R229G223-Q225 VanDerWaalsContact C-N 3.34Å; G223-Q225 PolarHBondContact O-N 3.11Å; Q225-R229 WeakPolarHBondContact O-CG 3.47Å; Q225-R229 PolarHBondContact O-N 3.06Å
226Q93.8Very high94.6Very high87 Ų8752.6 Ų52.641%0.40726%0.261SS..Hα-helixtrans-69.3-40.1177.4-177.661.222.800110.3V222 G223 T224 M228 R229 V230V222-Q226 HydrophobicContact CB-CB 4.27Å; V222-Q226 HydrophobicContact CB-CG 4.13Å; V222-Q226 HydrophobicContact CG1-CG 4.25Å; G223-Q226 PolarHBondContact O-N 3.33Å; T224-Q226 PolarHBondContact O-N 3.36Å; Q226-M228 VanDerWaalsContact C-N 3.33Å; Q226-M228 PolarHBondContact O-N 3.4Å; Q226-R229 WeakPolarHBondContact O-CB 3.31Å; Q226-R229 PolarHBondContact O-N 2.91Å; Q226-R229 VanDerWaalsContact O-N 3.14Å; Q226-V230 HydrophobicContact CG-CG2 4.35Å; Q226-V230 VanDerWaalsContact O-CG2 3.3Å; Q226-V230 WeakPolarHBondContact O-CG2 3.33Å; Q226-V230 PolarHBondContact O-N 3.39Å
227L95.7Very high94.2Very high0 Ų054.2 Ų54.20%027%0.273CS..Hα-helixtrans-55.8-45.9174.9-175.959.1000111.9A189 L216 A219 V222 G223 T224 R229 V230 Y231 I252 F269A189-L227 HydrophobicContact CB-CD1 4.27Å; L216-L227 HydrophobicContact CD2-CD1 3.97Å; A219-L227 HydrophobicContact CB-CD1 3.76Å; A219-L227 HydrophobicContact CB-CD2 4.29Å; V222-L227 HydrophobicContact CG2-CB 4.01Å; V222-L227 HydrophobicContact CG2-CD1 4.08Å; G223-L227 PolarHBondContact O-N 3.05Å; T224-L227 WeakPolarHBondContact O-CB 3.25Å; T224-L227 PolarHBondContact O-N 3.25Å; L227-R229 VanDerWaalsContact C-N 3.33Å; L227-R229 PolarHBondContact O-N 3.3Å; L227-V230 PolarHBondContact O-N 3.3Å; L227-Y231 VanDerWaalsContact O-CB 3.31Å; L227-Y231 WeakPolarHBondContact O-CB 3.19Å; L227-Y231 PolarHBondContact O-N 3.24Å; L227-I252 HydrophobicContact CD1-CG2 3.97Å; L227-I252 HydrophobicContact CD2-CG2 3.98Å; L227-I252 HydrophobicContact CG-CG2 4.35Å; L227-F269 HydrophobicContact CD2-CE1 4.03Å; L227-F269 HydrophobicContact CD2-CZ 4.39Å
228M95.3Very high94Very high92 Ų9254.3 Ų54.345%0.45327%0.273SS..Hα-helixtrans-63.1-36.7177.3-67.4-59.8102.600113.1T224 Q226 G232T224-M228 WeakPolarHBondContact O-CG 3.42Å; T224-M228 PolarHBondContact O-N 2.87Å; T224-M228 VanDerWaalsContact O-N 3.1Å; Q226-M228 VanDerWaalsContact C-N 3.33Å; Q226-M228 PolarHBondContact O-N 3.4Å; M228-G232 PolarHBondContact O-N 3.35Å
229R95.1Very high93.7Very high166 Ų16654.8 Ų54.863%0.62629%0.287SS*.Hα-helixtrans-66.8-44.4175.5-69.1173.6-178.6171.11.2111.7Q225 Q226 L227 G232 A233Q225-R229 WeakPolarHBondContact O-CG 3.47Å; Q225-R229 PolarHBondContact O-N 3.06Å; Q226-R229 WeakPolarHBondContact O-CB 3.31Å; Q226-R229 PolarHBondContact O-N 2.91Å; Q226-R229 VanDerWaalsContact O-N 3.14Å; L227-R229 VanDerWaalsContact C-N 3.33Å; L227-R229 PolarHBondContact O-N 3.3Å; R229-G232 PolarHBondContact O-N 3.19Å; R229-A233 WeakPolarHBondContact O-CB 3.39Å; R229-A233 PolarHBondContact O-N 2.95Å
230V95.7Very high93.3Very high11 Ų1163.3 Ų63.37%0.06732%0.324CS..Hα-helixtrans-64.1-45.8178.3172.40000110.4A189 L192 L216 Q226 L227 G232 A233 L234A189-V230 HydrophobicContact CB-CG1 4.46Å; L192-V230 HydrophobicContact CB-CG1 3.82Å; L192-V230 HydrophobicContact CD2-CG1 3.76Å; L192-V230 WeakPolarHBondContact CD2-O 3.2Å; L192-V230 HydrophobicContact CG-CG1 4.29Å; L216-V230 HydrophobicContact CD1-CG1 4.06Å; L216-V230 HydrophobicContact CD2-CG1 4.34Å; Q226-V230 HydrophobicContact CG-CG2 4.35Å; Q226-V230 VanDerWaalsContact O-CG2 3.3Å; Q226-V230 WeakPolarHBondContact O-CG2 3.33Å; Q226-V230 PolarHBondContact O-N 3.39Å; L227-V230 PolarHBondContact O-N 3.3Å; V230-G232 PolarHBondContact O-N 3.07Å; V230-A233 PolarHBondContact O-N 3.27Å; V230-L234 WeakPolarHBondContact O-CB 3.45Å; V230-L234 PolarHBondContact O-N 2.96Å
231Y95.6Very high93Very high77 Ų7764.3 Ų64.330%0.30233%0.33SS..Hα-helixtrans-56.6-49.4174.4177-103.1000111.9L216 L227 A233 L234 M235 V250 I252L216-Y231 HydrophobicContact CD2-CD2 4.42Å; L227-Y231 VanDerWaalsContact O-CB 3.31Å; L227-Y231 WeakPolarHBondContact O-CB 3.19Å; L227-Y231 PolarHBondContact O-N 3.24Å; Y231-A233 PolarHBondContact O-N 2.91Å; Y231-L234 WeakPolarHBondContact O-CB 3.35Å; Y231-L234 PolarHBondContact O-N 2.84Å; Y231-M235 HydrophobicContact CD1-CG 4.47Å; Y231-M235 HydrophobicContact CD2-CG 4.47Å; Y231-M235 HydrophobicContact CE1-CG 4.08Å; Y231-M235 HydrophobicContact CE2-CG 4.07Å; Y231-M235 HydrophobicContact CE2-SD 4.26Å; Y231-M235 WeakPolarHBondContact O-CG 3.4Å; Y231-M235 PolarHBondContact O-N 3.31Å; Y231-V250 HydrophobicContact CD2-CG1 4.19Å; Y231-V250 HydrophobicContact CE2-CB 3.81Å; Y231-V250 HydrophobicContact CE2-CG1 3.92Å; Y231-V250 HydrophobicContact CE2-CG2 4.01Å; Y231-I252 HydrophobicContact CD2-CD1 3.86Å; Y231-I252 HydrophobicContact CD2-CG1 4.43Å; Y231-I252 HydrophobicContact CE2-CD1 4.16Å; Y231-I252 HydrophobicContact CG-CD1 4.44Å
232G94.7Very high92.8Very high37 Ų3762.3 Ų62.338%0.38132%0.32SS..Hα-helixtrans-59.8-42.517700000113.2M228 R229 V230 M235 W236M228-G232 PolarHBondContact O-N 3.35Å; R229-G232 PolarHBondContact O-N 3.19Å; V230-G232 PolarHBondContact O-N 3.07Å; G232-M235 PolarHBondContact O-N 3.23Å; G232-W236 WeakPolarHBondContact O-CB 3.22Å; G232-W236 PolarHBondContact O-N 3Å
233A93.9Very high92.3Very high48 Ų4864.7 Ų64.740%0.39735%0.347SS..Hα-helixtrans-65.4-38.2177.200000112.8L192 R229 V230 Y231 S237L192-A233 HydrophobicContact CD2-CB 4.03Å; R229-A233 WeakPolarHBondContact O-CB 3.39Å; R229-A233 PolarHBondContact O-N 2.95Å; V230-A233 PolarHBondContact O-N 3.27Å; Y231-A233 PolarHBondContact O-N 2.91Å; A233-S237 WeakPolarHBondContact O-CB 3.24Å; A233-S237 PolarHBondContact O-N 3.39Å; A233-S237 VanDerWaalsContact O-N 3.11Å; A233-S237 PolarHBondContact O-OG 3.23Å
234L94.3Very high91.7Very high0 Ų065.5 Ų65.50%035%0.345CS..Hα-helixtrans-61.9-51.5174.6172.961.6000110.8F187 L192 I194 V214 L216 V230 Y231 W236 S237 L238 V250F187-L234 HydrophobicContact CB-CD1 4.49Å; F187-L234 HydrophobicContact CB-CD2 4.48Å; F187-L234 HydrophobicContact CD1-CD1 3.57Å; F187-L234 HydrophobicContact CD2-CD1 3.79Å; F187-L234 HydrophobicContact CD2-CD2 4.29Å; F187-L234 HydrophobicContact CE1-CD1 3.52Å; F187-L234 HydrophobicContact CE2-CD1 3.79Å; F187-L234 HydrophobicContact CG-CD1 3.68Å; F187-L234 HydrophobicContact CG-CD2 4.34Å; F187-L234 HydrophobicContact CZ-CD1 3.64Å; L192-L234 HydrophobicContact CD1-CB 4.42Å; L192-L234 HydrophobicContact CD1-CD1 4.2Å; L192-L234 HydrophobicContact CD2-CB 3.98Å; I194-L234 HydrophobicContact CD1-CD1 3.99Å; V214-L234 HydrophobicContact CG1-CD2 3.94Å; L216-L234 HydrophobicContact CB-CD2 4.36Å; L216-L234 HydrophobicContact CD1-CD2 4.21Å; V230-L234 WeakPolarHBondContact O-CB 3.45Å; V230-L234 PolarHBondContact O-N 2.96Å; Y231-L234 WeakPolarHBondContact O-CB 3.35Å; Y231-L234 PolarHBondContact O-N 2.84Å; L234-W236 VanDerWaalsContact C-N 3.34Å; L234-W236 PolarHBondContact O-N 3.21Å; L234-S237 PolarHBondContact O-N 3.21Å; L234-S237 VanDerWaalsContact O-N 3.14Å; L234-L238 HydrophobicContact CD1-CD1 3.81Å; L234-L238 HydrophobicContact CD1-CG 3.94Å; L234-L238 HydrophobicContact CG-CD1 3.92Å; L234-L238 HydrophobicContact CG-CG 4.42Å; L234-L238 WeakPolarHBondContact O-CG 3.4Å; L234-L238 PolarHBondContact O-N 2.92Å; L234-V250 HydrophobicContact CD2-CG1 4.26Å
235M92.9Very high91Very high41 Ų4169.2 Ų69.220%0.20237%0.371CS..Hα-helixtrans-60.5-43.3-179.1-67.1-55.9-70.800112.3Y231 G232 S237 L238 G239 V247 V250Y231-M235 HydrophobicContact CD1-CG 4.47Å; Y231-M235 HydrophobicContact CD2-CG 4.47Å; Y231-M235 HydrophobicContact CE1-CG 4.08Å; Y231-M235 HydrophobicContact CE2-CG 4.07Å; Y231-M235 HydrophobicContact CE2-SD 4.26Å; Y231-M235 WeakPolarHBondContact O-CG 3.4Å; Y231-M235 PolarHBondContact O-N 3.31Å; G232-M235 PolarHBondContact O-N 3.23Å; M235-S237 VanDerWaalsContact C-N 3.31Å; M235-S237 PolarHBondContact O-N 3.42Å; M235-L238 PolarHBondContact O-N 3.37Å; M235-G239 PolarHBondContact O-N 3.25Å; M235-V247 HydrophobicContact CE-CG1 3.16Å; M235-V250 HydrophobicContact CE-CG2 4.48Å; M235-V250 HydrophobicContact SD-CG2 3.36Å; M235-V250 WeakPolarHBondContact SD-CG2 3.42Å
236W90.9Very high90.6Very high208 Ų20869.3 Ų69.379%0.78837%0.371SS*.Hα-helixtrans-57.3-45.8174.7178.4-93.2000112.1G232 L234 G239 K240G232-W236 WeakPolarHBondContact O-CB 3.22Å; G232-W236 PolarHBondContact O-N 3Å; L234-W236 VanDerWaalsContact C-N 3.34Å; L234-W236 PolarHBondContact O-N 3.21Å; W236-G239 PolarHBondContact O-N 3.06Å; W236-K240 PolarHBondContact O-N 3.25Å
237S90.4Very high90.4Very high34 Ų3470.8 Ų70.824%0.23839%0.386CS..Hα-helixtrans-69.3-43-177.9-57.90000112A233 L234 M235 G239 K240 V241A233-S237 WeakPolarHBondContact O-CB 3.24Å; A233-S237 PolarHBondContact O-N 3.39Å; A233-S237 VanDerWaalsContact O-N 3.11Å; A233-S237 PolarHBondContact O-OG 3.23Å; L234-S237 PolarHBondContact O-N 3.21Å; L234-S237 VanDerWaalsContact O-N 3.14Å; M235-S237 VanDerWaalsContact C-N 3.31Å; M235-S237 PolarHBondContact O-N 3.42Å; S237-G239 VanDerWaalsContact C-N 3.33Å; S237-G239 PolarHBondContact O-N 2.96Å; S237-K240 WeakPolarHBondContact O-CB 3.46Å; S237-K240 PolarHBondContact O-N 2.94Å; S237-V241 WeakPolarHBondContact O-CG2 3.44Å; S237-V241 PolarHBondContact O-N 2.89Å
238L91Very high90.2Very high7 Ų771.8 Ų71.84%0.03739%0.391CS..Hα-helixtrans-61.7-41.4175.3-70.9175000111.8F187 I202 V214 L234 M235 K240 V241 F242F187-L238 HydrophobicContact CE2-CD2 4.42Å; F187-L238 HydrophobicContact CZ-CD2 3.97Å; I202-L238 HydrophobicContact CD1-CD2 4.42Å; V214-L238 HydrophobicContact CB-CD1 4.49Å; V214-L238 HydrophobicContact CG1-CD1 4.06Å; V214-L238 HydrophobicContact CG2-CD1 3.83Å; L234-L238 HydrophobicContact CD1-CD1 3.81Å; L234-L238 HydrophobicContact CD1-CG 3.94Å; L234-L238 HydrophobicContact CG-CD1 3.92Å; L234-L238 HydrophobicContact CG-CG 4.42Å; L234-L238 WeakPolarHBondContact O-CG 3.4Å; L234-L238 PolarHBondContact O-N 2.92Å; M235-L238 PolarHBondContact O-N 3.37Å; L238-K240 VanDerWaalsContact C-N 3.29Å; L238-K240 PolarHBondContact O-N 3.25Å; L238-V241 PolarHBondContact O-N 3.18Å; L238-V241 VanDerWaalsContact O-N 3.12Å; L238-F242 HydrophobicContact CD2-CD2 4.36Å; L238-F242 HydrophobicContact CD2-CE2 3.97Å; L238-F242 PolarHBondContact O-N 3.37Å
239G89.7Confident90.2Very high42 Ų4271.7 Ų71.743%0.43339%0.386SS..Hα-helixtrans-58.2-41.1175.200000112.4M235 W236 S237 G243M235-G239 PolarHBondContact O-N 3.25Å; W236-G239 PolarHBondContact O-N 3.06Å; S237-G239 VanDerWaalsContact C-N 3.33Å; S237-G239 PolarHBondContact O-N 2.96Å; G239-G243 WeakPolarHBondContact O-CA 3.31Å; G239-G243 PolarHBondContact O-N 3.42Å
240K87.9Confident90.3Very high178 Ų17863.9 Ų63.977%0.77436%0.356SS*.Hα-helixtrans-66.3-37.9175-174.3-177.4175.3-171.20112.7W236 S237 L238W236-K240 PolarHBondContact O-N 3.25Å; S237-K240 WeakPolarHBondContact O-CB 3.46Å; S237-K240 PolarHBondContact O-N 2.94Å; L238-K240 VanDerWaalsContact C-N 3.29Å; L238-K240 PolarHBondContact O-N 3.25Å
241V88.1Confident90.4Very high21 Ų2163.9 Ų63.913%0.12736%0.355CS..Hα-helixtrans-74.6-53.7-176.4175.20000111.4I202 K206 S237 L238I202-V241 HydrophobicContact CD1-CG1 4.09Å; I202-V241 HydrophobicContact CG1-CG1 3.81Å; K206-V241 WeakPolarHBondContact CE-O 3.2Å; K206-V241 PolarHBondContact NZ-O 3.11Å; S237-V241 WeakPolarHBondContact O-CG2 3.44Å; S237-V241 PolarHBondContact O-N 2.89Å; L238-V241 PolarHBondContact O-N 3.18Å; L238-V241 VanDerWaalsContact O-N 3.12Å
242F88.1Confident90.5Very high11 Ų1160.9 Ų60.95%0.04834%0.344CS..Hα-helixtrans-79.1-36.7-175.8-71.3-78.2000112.5L185 I202 L205 K206 E209 L212 L238 T244 L248L185-F242 HydrophobicContact CD1-CE2 4.45Å; L185-F242 HydrophobicContact CD1-CZ 4.32Å; I202-F242 HydrophobicContact CD1-CE2 4.5Å; L205-F242 HydrophobicContact CB-CE1 4.4Å; K206-F242 HydrophobicContact CG-CD1 4.15Å; K206-F242 HydrophobicContact CG-CE1 4.49Å; E209-F242 HydrophobicContact CG-CD1 3.89Å; E209-F242 HydrophobicContact CG-CE1 4.49Å; L212-F242 HydrophobicContact CD1-CD1 4.3Å; L212-F242 HydrophobicContact CD1-CE1 3.46Å; L212-F242 VanDerWaalsContact CD1-CE1 3.46Å; L212-F242 HydrophobicContact CD1-CE2 4.24Å; L212-F242 HydrophobicContact CD1-CZ 3.42Å; L212-F242 VanDerWaalsContact CD1-CZ 3.42Å; L238-F242 HydrophobicContact CD2-CD2 4.36Å; L238-F242 HydrophobicContact CD2-CE2 3.97Å; L238-F242 PolarHBondContact O-N 3.37Å; F242-T244 HydrophobicContact CB-CG2 4.48Å; F242-T244 PolarHBondContact O-N 3.49Å; F242-L248 HydrophobicContact CD2-CD1 3.79Å; F242-L248 HydrophobicContact CE2-CD1 3.88Å; F242-L248 HydrophobicContact CG-CD1 4.45Å
243G84.3Confident90.5Very high63 Ų6359.1 Ų59.165%0.64933%0.326SS*.  trans6623.1178.400000113.6G239G239-G243 WeakPolarHBondContact O-CA 3.31Å; G239-G243 PolarHBondContact O-N 3.42Å
244T79.9Confident90.6Very high50 Ų5057.2 Ų57.231%0.30731%0.31SS..  trans-93.2145176.754.70000110.6E209 F242 E246E209-T244 HydrophobicContact CG-CG2 4.08Å; F242-T244 HydrophobicContact CB-CG2 4.48Å; F242-T244 PolarHBondContact O-N 3.49Å; T244-E246 PolarHBondContact O-N 3.14Å; T244-E246 PolarHBondContact OG1-O 2.71Å; T244-E246 VanDerWaalsContact OG1-O 3.12Å
245P80.7Confident90.5Very high130 Ų13057.3 Ų57.384%0.84431%0.31SS*.SBendtrans-70.3-22.3172.929.9-34.4000112
246E84.4Confident90.2Very high153 Ų15358.5 Ų58.572%0.71531%0.313SS*.SBendtrans-77.5131.4176.5-65178.4-17000110.8T244T244-E246 PolarHBondContact O-N 3.14Å; T244-E246 PolarHBondContact OG1-O 2.71Å; T244-E246 VanDerWaalsContact OG1-O 3.12Å
247V88.8Confident89.8Confident118 Ų11853.5 Ų53.572%0.71531%0.31SS*.PPolyproline II helixtrans-88126.8-177.5-178.80000109.6M235M235-V247 HydrophobicContact CE-CG1 3.16Å
248L92.3Very high89.5Confident21 Ų2157.8 Ų57.811%0.1133%0.326CS..PPolyproline II helixtrans-69.1134.9176.5-64.5174.7000111.1E209 L212 V214 F242 V250E209-L248 HydrophobicContact CB-CD2 4.43Å; L212-L248 HydrophobicContact CB-CD2 3.97Å; L212-L248 HydrophobicContact CD1-CD1 4.44Å; L212-L248 HydrophobicContact CD1-CD2 4.49Å; V214-L248 HydrophobicContact CG2-CB 4.16Å; V214-L248 HydrophobicContact CG2-CD1 4.14Å; F242-L248 HydrophobicContact CD2-CD1 3.79Å; F242-L248 HydrophobicContact CE2-CD1 3.88Å; F242-L248 HydrophobicContact CG-CD1 4.45Å; L248-V250 PolarHBondContact O-N 3.46Å
249R95Very high89.1Confident89 Ų8962.3 Ų62.334%0.33636%0.356SS..PPolyproline II helixtrans-67.5125.7171.8178.266.7171116.4-8.1109.8V214 Y251 E272 D275V214-R249 PolarHBondContact N-O 2.87Å; R249-Y251 HydrophobicContact CB-CE2 4.46Å; R249-Y251 HydrophobicContact CG-CD2 4.4Å; R249-Y251 HydrophobicContact CG-CE1 4.13Å; R249-Y251 HydrophobicContact CG-CE2 3.67Å; R249-E272 IonicContact CZ-OE1 3.93Å; R249-E272 IonicContact CZ-OE2 3.44Å; R249-E272 VanDerWaalsContact NH1-CD 3.31Å; R249-E272 IonicContact NH1-OE1 2.66Å; R249-E272 PolarHBondContact NH1-OE1 3.37Å; R249-E272 VanDerWaalsContact NH1-OE1 3.13Å; R249-E272 IonicContact NH1-OE2 3.13Å; R249-E272 PolarHBondContact NH1-OE2 3.05Å; R249-E272 VanDerWaalsContact NH2-CD 3.27Å; R249-E272 IonicContact NH2-OE1 2.8Å; R249-E272 PolarHBondContact NH2-OE1 3.01Å; R249-E272 IonicContact NH2-OE2 2.7Å; R249-E272 PolarHBondContact NH2-OE2 3.25Å; R249-D275 IonicContact CZ-OD2 3.68Å; R249-D275 IonicContact NH2-OD2 3.86Å; R249-D275 PolarHBondContact NH2-OD2 3.3Å
250V97.3Very high89.1Confident2 Ų262.6 Ų62.61%0.01235%0.347CS..EExtended strand (participates in β ladder)trans-109.7129.4175.2-179.90000109.2V214 L216 Y231 L234 M235 L248 I252V214-V250 HydrophobicContact CB-CB 4.34Å; V214-V250 HydrophobicContact CB-CG1 4.49Å; V214-V250 HydrophobicContact CB-CG2 3.9Å; V214-V250 HydrophobicContact CG1-CB 4.41Å; V214-V250 HydrophobicContact CG1-CG1 4.12Å; V214-V250 HydrophobicContact CG1-CG2 3.93Å; V214-V250 CarbonylContact O-C 3.57Å; V214-V250 WeakPolarHBondContact O-CA 3.41Å; L216-V250 HydrophobicContact CB-CG1 3.99Å; Y231-V250 HydrophobicContact CD2-CG1 4.19Å; Y231-V250 HydrophobicContact CE2-CB 3.81Å; Y231-V250 HydrophobicContact CE2-CG1 3.92Å; Y231-V250 HydrophobicContact CE2-CG2 4.01Å; L234-V250 HydrophobicContact CD2-CG1 4.26Å; M235-V250 HydrophobicContact CE-CG2 4.48Å; M235-V250 HydrophobicContact SD-CG2 3.36Å; M235-V250 WeakPolarHBondContact SD-CG2 3.42Å; L248-V250 PolarHBondContact O-N 3.46Å; V250-I252 HydrophobicContact CG1-CG1 4.28Å
251Y98.2Very high89.1Confident12 Ų1259.9 Ų59.95%0.04734%0.34CS..EExtended strand (participates in β ladder)trans-99.3126.1172.5-56-90.4000110R213 V214 V215 L216 R249 E272 D275 L276R213-Y251 HydrophobicContact CB-CD2 4.33Å; R213-Y251 HydrophobicContact CB-CE2 3.8Å; R213-Y251 WeakPolarHBondContact CD-OH 3.39Å; R213-Y251 HydrophobicContact CG-CE2 4.04Å; V214-Y251 WeakPolarHBondContact O-CD2 3.29Å; V214-Y251 PolarHBondContact O-N 3.35Å; V215-Y251 CarbonylContact C-O 3.57Å; V215-Y251 WeakPolarHBondContact CA-O 3.21Å; V215-Y251 HydrophobicContact CG2-CD2 4.41Å; L216-Y251 PolarHBondContact N-O 3.13Å; R249-Y251 HydrophobicContact CB-CE2 4.46Å; R249-Y251 HydrophobicContact CG-CD2 4.4Å; R249-Y251 HydrophobicContact CG-CE1 4.13Å; R249-Y251 HydrophobicContact CG-CE2 3.67Å; Y251-E272 VanDerWaalsContact CA-OE2 3.25Å; Y251-E272 WeakPolarHBondContact CA-OE2 3.36Å; Y251-E272 VanDerWaalsContact CD1-O 3.26Å; Y251-E272 WeakPolarHBondContact CD1-O 3.35Å; Y251-D275 HydrophobicContact CD1-CB 4.21Å; Y251-D275 HydrophobicContact CE1-CB 3.8Å; Y251-L276 HydrophobicContact CD1-CB 3.64Å; Y251-L276 HydrophobicContact CD2-CB 4.4Å; Y251-L276 HydrophobicContact CD2-CD1 3.85Å; Y251-L276 HydrophobicContact CE1-CB 3.86Å; Y251-L276 HydrophobicContact CE1-CD1 4.46Å; Y251-L276 HydrophobicContact CE2-CD1 3.87Å; Y251-L276 HydrophobicContact CG-CB 3.88Å; Y251-L276 HydrophobicContact CG-CD1 4.19Å; Y251-L276 HydrophobicContact CG-CG 4.42Å
252I97.7Very high89.1Confident13 Ų1360.7 Ų60.77%0.06735%0.345CS..EExtended strand (participates in β ladder)trans-106.7120.9-175.2-54.2176.6000109.1L216 A219 L227 Y231 V250 F269 E272L216-I252 HydrophobicContact CB-CG1 4.47Å; A219-I252 HydrophobicContact CB-CG2 3.64Å; L227-I252 HydrophobicContact CD1-CG2 3.97Å; L227-I252 HydrophobicContact CD2-CG2 3.98Å; L227-I252 HydrophobicContact CG-CG2 4.35Å; Y231-I252 HydrophobicContact CD2-CD1 3.86Å; Y231-I252 HydrophobicContact CD2-CG1 4.43Å; Y231-I252 HydrophobicContact CE2-CD1 4.16Å; Y231-I252 HydrophobicContact CG-CD1 4.44Å; V250-I252 HydrophobicContact CG1-CG1 4.28Å; I252-F269 HydrophobicContact CG2-CD1 4.3Å; I252-F269 HydrophobicContact CG2-CE1 4.04Å; I252-E272 PolarHBondContact N-OE2 3.08Å; I252-E272 WeakPolarHBondContact O-CB 3.27Å
253G95.3Very high89.1Confident1 Ų163.2 Ų63.21%0.0136%0.363CS..SBendtrans180-168.2-179.200000114.1L216 N217 K218 A219L216-G253 PolarHBondContact O-N 2.87Å; L216-G253 VanDerWaalsContact O-N 3.14Å; L216-G253 VanDerWaalsContact O-O 3.14Å; N217-G253 CarbonylContact C-O 3.56Å; N217-G253 VanDerWaalsContact C-O 3.29Å; N217-G253 VanDerWaalsContact CA-O 3.25Å; N217-G253 WeakPolarHBondContact CA-O 3.46Å; K218-G253 PolarHBondContact N-O 3.03Å; A219-G253 PolarHBondContact N-O 2.69Å; A219-G253 VanDerWaalsContact N-O 3.16Å
254S94.4Very high89.2Confident8 Ų865.7 Ų65.76%0.05636%0.361CS..  trans-135.194.7178.4-62.30000108.9K218 A219 D220 W256K218-S254 WeakPolarHBondContact CA-OG 3.1Å; A219-S254 PolarHBondContact N-OG 3.48Å; D220-S254 WeakPolarHBondContact CB-OG 3.49Å; D220-S254 PolarHBondContact N-OG 3.43Å; D220-S254 VanDerWaalsContact OD1-CB 3.27Å; D220-S254 WeakPolarHBondContact OD1-CB 3.29Å; D220-S254 PolarHBondContact OD1-OG 3Å; S254-W256 VanDerWaalsContact C-N 3.34Å; S254-W256 PolarHBondContact O-N 3.35Å
255F93.4Very high89.8Confident1 Ų164.7 Ų64.70%0.00435%0.354CS..  trans-89.372.6-165.9-62.2-93000111.2F72 Y75 V215 N217 E273 L276 F277F72-F255 HydrophobicContact CD2-CB 3.51Å; F72-F255 HydrophobicContact CD2-CD1 4.07Å; F72-F255 HydrophobicContact CD2-CD2 4.41Å; F72-F255 AromaticContact CD2-CG 3.74Å; F72-F255 HydrophobicContact CD2-CG 3.74Å; F72-F255 HydrophobicContact CE2-CB 4.14Å; F72-F255 AromaticContact CE2-CD1 3.79Å; F72-F255 HydrophobicContact CE2-CD1 3.79Å; F72-F255 HydrophobicContact CE2-CE1 4.37Å; F72-F255 AromaticContact CE2-CG 3.91Å; F72-F255 HydrophobicContact CE2-CG 3.91Å; Y75-F255 HydrophobicContact CD1-CB 3.89Å; Y75-F255 HydrophobicContact CD1-CD1 4.46Å; Y75-F255 HydrophobicContact CE1-CB 4.29Å; Y75-F255 HydrophobicContact CE1-CD1 4.34Å; V215-F255 HydrophobicContact CG1-CD2 3.62Å; V215-F255 HydrophobicContact CG1-CE2 3.25Å; V215-F255 HydrophobicContact CG1-CZ 3.99Å; N217-F255 PolarHBondContact OD1-N 3.09Å; N217-F255 VanDerWaalsContact OD1-N 3.11Å; F255-E273 HydrophobicContact CD1-CG 4.37Å; F255-E273 HydrophobicContact CE1-CB 4.1Å; F255-E273 HydrophobicContact CE1-CG 4.06Å; F255-L276 HydrophobicContact CD1-CD2 4.3Å; F255-L276 HydrophobicContact CE1-CD2 3.56Å; F255-L276 HydrophobicContact CZ-CD2 3.84Å; F255-F277 HydrophobicContact CD1-CE1 4.26Å; F255-F277 HydrophobicContact CE1-CE1 4.38Å
256W86.9Confident90.1Very high67 Ų6764.5 Ų64.525%0.25434%0.336SS..SBendtrans-156165179.360.9-0.5000110.1T71 Y75 M221 S254 E258T71-W256 HydrophobicContact CG2-CB 3.92Å; Y75-W256 VanDerWaalsContact CD2-C 3.47Å; Y75-W256 WeakPolarHBondContact CE2-O 3.35Å; M221-W256 HydrophobicContact CE-CH2 3.24Å; M221-W256 HydrophobicContact CE-CZ2 3.72Å; M221-W256 HydrophobicContact CE-CZ3 4.09Å; S254-W256 VanDerWaalsContact C-N 3.34Å; S254-W256 PolarHBondContact O-N 3.35Å; W256-E258 VanDerWaalsContact C-N 3.28Å; W256-E258 HydrophobicContact CD2-CB 3.96Å; W256-E258 HydrophobicContact CD2-CG 4.26Å; W256-E258 HydrophobicContact CE3-CB 4.37Å; W256-E258 HydrophobicContact CE3-CG 4.24Å; W256-E258 HydrophobicContact CG-CB 4.23Å; W256-E258 HydrophobicContact CZ2-CB 4.31Å; W256-E258 PolarHBondContact O-N 2.84Å
257S81.3Confident90.4Very high103 Ų10364.9 Ų64.972%0.7234%0.335SS*.SBendtrans-87.89-177.9-47.80000114
258E84.8Confident90.5Very high124 Ų12462 Ų6258%0.57932%0.316SS*.SBendtrans-87.4153.1-177.5-64.7-64.6159.700111.8W256W256-E258 VanDerWaalsContact C-N 3.28Å; W256-E258 HydrophobicContact CD2-CB 3.96Å; W256-E258 HydrophobicContact CD2-CG 4.26Å; W256-E258 HydrophobicContact CE3-CB 4.37Å; W256-E258 HydrophobicContact CE3-CG 4.24Å; W256-E258 HydrophobicContact CG-CB 4.23Å; W256-E258 HydrophobicContact CZ2-CB 4.31Å; W256-E258 PolarHBondContact O-N 2.84Å
259P83.4Confident90.6Very high102 Ų10261.3 Ų61.366%0.66231%0.312SS*.PPolyproline II helixtrans-59.6142.2177.2-22.333.1000113.1L261P259-L261 PolarHBondContact O-N 3.09Å
260L88.1Confident90.2Very high48 Ų4861.7 Ų61.725%0.25132%0.317SS..PPolyproline II helixtrans-63.1131.3175.1-59.2177.6000111.3D220 R266 F269D220-L260 HydrophobicContact CB-CB 4.21Å; D220-L260 HydrophobicContact CB-CD2 3.74Å; D220-L260 WeakPolarHBondContact OD2-CA 3.47Å; L260-R266 HydrophobicContact CD1-CB 3.81Å; L260-R266 HydrophobicContact CD1-CG 3.89Å; L260-F269 HydrophobicContact CD1-CD2 4.22Å; L260-F269 HydrophobicContact CD2-CD2 4.17Å
261L88.9Confident89.8Confident120 Ų12065.6 Ų65.663%0.62834%0.338SS*.SBendtrans-72.8-49.1175.1-69.7178.5000112.1D220 M221 P259D220-L261 PolarHBondContact OD2-N 3.45Å; M221-L261 HydrophobicContact CE-CD1 4.48Å; M221-L261 HydrophobicContact CG-CD1 4.07Å; P259-L261 PolarHBondContact O-N 3.09Å
262V88.7Confident89.7Confident39 Ų3966 Ų6624%0.23634%0.34CS..SBendtrans-115.9103.9174.1-176.10000108.7D220 D264D220-V262 WeakPolarHBondContact O-CB 3.14Å; D220-V262 WeakPolarHBondContact O-CG2 3.33Å; D220-V262 PolarHBondContact O-N 2.93Å; V262-D264 VanDerWaalsContact C-N 3.29Å; V262-D264 HydrophobicContact CG1-CB 4.13Å; V262-D264 PolarHBondContact O-N 3.25Å
263P88Confident89.4Confident64 Ų6467 Ų6742%0.41635%0.345SS..G310 helixtrans-82.7-0.4-172.833.6-36.3000114.2N265 R266P263-N265 PolarHBondContact O-N 2.98Å; P263-R266 WeakPolarHBondContact O-CB 3.44Å; P263-R266 PolarHBondContact O-N 2.99Å
264D86.8Confident89.1Confident115 Ų11571.1 Ų71.162%0.61536%0.363SS*.G310 helixtrans-50.9-33.8-173.2-661.2000114V262V262-D264 VanDerWaalsContact C-N 3.29Å; V262-D264 HydrophobicContact CG1-CB 4.13Å; V262-D264 PolarHBondContact O-N 3.25Å
265N91.3Very high89Confident28 Ų2874.7 Ų74.715%0.1538%0.382CS..G310 helixtrans-111.222.3-178.6-52-63.6000113T224 P263 K267 L268 F269T224-N265 WeakPolarHBondContact CG2-OD1 3.41Å; T224-N265 PolarHBondContact OG1-ND2 2.73Å; T224-N265 PolarHBondContact OG1-OD1 2.89Å; T224-N265 VanDerWaalsContact OG1-OD1 3.13Å; P263-N265 PolarHBondContact O-N 2.98Å; N265-K267 VanDerWaalsContact C-N 3.31Å; N265-K267 PolarHBondContact O-N 3.25Å; N265-L268 HydrophobicContact CB-CB 4.34Å; N265-L268 WeakPolarHBondContact O-CA 3.38Å; N265-L268 WeakPolarHBondContact O-CB 3.18Å; N265-L268 PolarHBondContact O-N 3.35Å; N265-F269 HydrophobicContact CB-CD1 4.4Å; N265-F269 HydrophobicContact CB-CE1 3.8Å; N265-F269 HydrophobicContact CB-CE2 4.18Å; N265-F269 HydrophobicContact CB-CZ 3.7Å; N265-F269 WeakPolarHBondContact O-CG 3.4Å; N265-F269 PolarHBondContact O-N 2.89Å; N265-F269 VanDerWaalsContact O-N 3.07Å
266R88.2Confident89.1Confident127 Ų12774.6 Ų74.648%0.47938%0.382SS..Hα-helixtrans-47.3-51-177.4174-179.7-69.1163.6-2.1112.8L260 P263 L268 F269 E270L260-R266 HydrophobicContact CD1-CB 3.81Å; L260-R266 HydrophobicContact CD1-CG 3.89Å; P263-R266 WeakPolarHBondContact O-CB 3.44Å; P263-R266 PolarHBondContact O-N 2.99Å; R266-L268 VanDerWaalsContact C-N 3.26Å; R266-L268 PolarHBondContact O-N 2.87Å; R266-F269 WeakPolarHBondContact O-CB 3.35Å; R266-F269 PolarHBondContact O-N 2.98Å; R266-E270 VanDerWaalsContact CD-OE1 3.28Å; R266-E270 WeakPolarHBondContact CD-OE1 3.48Å; R266-E270 HydrophobicContact CG-CG 4.32Å; R266-E270 WeakPolarHBondContact CG-OE1 3.33Å; R266-E270 PolarHBondContact O-N 3.47Å
267K88.9Confident89.3Confident160 Ų16071.5 Ų71.570%0.69637%0.37SS*.Hα-helixtrans-57.8-38.6-179.7-175174.9-177174.30112.4N265 L271N265-K267 VanDerWaalsContact C-N 3.31Å; N265-K267 PolarHBondContact O-N 3.25Å; K267-L271 HydrophobicContact CG-CD1 4.12Å; K267-L271 WeakPolarHBondContact O-CB 3.37Å; K267-L271 VanDerWaalsContact O-CG 3.24Å; K267-L271 WeakPolarHBondContact O-CG 3.19Å; K267-L271 PolarHBondContact O-N 2.77Å; K267-L271 VanDerWaalsContact O-N 3.13Å
268L92.7Very high89.7Confident57 Ų5768.5 Ų68.530%0.29835%0.352SS..Hα-helixtrans-65.4-45.3175.2175.566.1000110.5N265 R266 E270 L271 E272N265-L268 HydrophobicContact CB-CB 4.34Å; N265-L268 WeakPolarHBondContact O-CA 3.38Å; N265-L268 WeakPolarHBondContact O-CB 3.18Å; N265-L268 PolarHBondContact O-N 3.35Å; R266-L268 VanDerWaalsContact C-N 3.26Å; R266-L268 PolarHBondContact O-N 2.87Å; L268-E270 VanDerWaalsContact C-N 3.34Å; L268-E270 PolarHBondContact O-N 2.61Å; L268-L271 PolarHBondContact O-N 3.22Å; L268-E272 HydrophobicContact CD1-CG 3.8Å; L268-E272 HydrophobicContact CG-CG 4.19Å; L268-E272 WeakPolarHBondContact O-CB 3.48Å; L268-E272 WeakPolarHBondContact O-CG 3.49Å; L268-E272 PolarHBondContact O-N 3.26Å
269F93Very high90.1Very high8 Ų864 Ų644%0.03533%0.332CS..Hα-helixtrans-61.4-43-179.2-55.4-26.8000112.1A219 D220 L227 I252 L260 N265 R266 E272 E273A219-F269 HydrophobicContact CB-CD1 4.24Å; A219-F269 HydrophobicContact CB-CE1 3.49Å; A219-F269 VanDerWaalsContact CB-CE1 3.49Å; A219-F269 HydrophobicContact CB-CZ 3.75Å; D220-F269 HydrophobicContact CB-CE2 3.89Å; L227-F269 HydrophobicContact CD2-CE1 4.03Å; L227-F269 HydrophobicContact CD2-CZ 4.39Å; I252-F269 HydrophobicContact CG2-CD1 4.3Å; I252-F269 HydrophobicContact CG2-CE1 4.04Å; L260-F269 HydrophobicContact CD1-CD2 4.22Å; L260-F269 HydrophobicContact CD2-CD2 4.17Å; N265-F269 HydrophobicContact CB-CD1 4.4Å; N265-F269 HydrophobicContact CB-CE1 3.8Å; N265-F269 HydrophobicContact CB-CE2 4.18Å; N265-F269 HydrophobicContact CB-CZ 3.7Å; N265-F269 WeakPolarHBondContact O-CG 3.4Å; N265-F269 PolarHBondContact O-N 2.89Å; N265-F269 VanDerWaalsContact O-N 3.07Å; R266-F269 WeakPolarHBondContact O-CB 3.35Å; R266-F269 PolarHBondContact O-N 2.98Å; F269-E272 PolarHBondContact O-N 3.37Å; F269-E273 VanDerWaalsContact O-CB 3.28Å; F269-E273 WeakPolarHBondContact O-CB 3.4Å; F269-E273 PolarHBondContact O-N 3.41Å
270E86.8Confident90.5Very high96 Ų9659.2 Ų59.245%0.44930%0.3SS..Hα-helixtrans-64.5-46.8178-70.4164.8177.200111.7R266 L268 E272 E273 E274R266-E270 VanDerWaalsContact CD-OE1 3.28Å; R266-E270 WeakPolarHBondContact CD-OE1 3.48Å; R266-E270 HydrophobicContact CG-CG 4.32Å; R266-E270 WeakPolarHBondContact CG-OE1 3.33Å; R266-E270 PolarHBondContact O-N 3.47Å; L268-E270 VanDerWaalsContact C-N 3.34Å; L268-E270 PolarHBondContact O-N 2.61Å; E270-E272 PolarHBondContact O-N 2.72Å; E270-E273 WeakPolarHBondContact O-CB 3.44Å; E270-E273 PolarHBondContact O-N 3.17Å; E270-E274 WeakPolarHBondContact O-CG 3.42Å; E270-E274 PolarHBondContact O-N 2.85Å
271L89.8Confident90.5Very high84 Ų8459.5 Ų59.544%0.4430%0.3SS..Hα-helixtrans-62.4-41.1177.3-71.7171.6000112.5K267 L268 E273 E274 D275K267-L271 HydrophobicContact CG-CD1 4.12Å; K267-L271 WeakPolarHBondContact O-CB 3.37Å; K267-L271 VanDerWaalsContact O-CG 3.24Å; K267-L271 WeakPolarHBondContact O-CG 3.19Å; K267-L271 PolarHBondContact O-N 2.77Å; K267-L271 VanDerWaalsContact O-N 3.13Å; L268-L271 PolarHBondContact O-N 3.22Å; L271-E273 VanDerWaalsContact C-N 3.33Å; L271-E274 PolarHBondContact O-N 2.88Å; L271-D275 PolarHBondContact O-N 2.94Å
272E95.3Very high90.4Very high22 Ų2256.5 Ų56.510%0.10329%0.285CS..Hα-helixtrans-69.8-32.6178-68-74.9131.800112R249 Y251 I252 L268 F269 E270 L276R249-E272 IonicContact CZ-OE1 3.93Å; R249-E272 IonicContact CZ-OE2 3.44Å; R249-E272 VanDerWaalsContact NH1-CD 3.31Å; R249-E272 IonicContact NH1-OE1 2.66Å; R249-E272 PolarHBondContact NH1-OE1 3.37Å; R249-E272 VanDerWaalsContact NH1-OE1 3.13Å; R249-E272 IonicContact NH1-OE2 3.13Å; R249-E272 PolarHBondContact NH1-OE2 3.05Å; R249-E272 VanDerWaalsContact NH2-CD 3.27Å; R249-E272 IonicContact NH2-OE1 2.8Å; R249-E272 PolarHBondContact NH2-OE1 3.01Å; R249-E272 IonicContact NH2-OE2 2.7Å; R249-E272 PolarHBondContact NH2-OE2 3.25Å; Y251-E272 VanDerWaalsContact CA-OE2 3.25Å; Y251-E272 WeakPolarHBondContact CA-OE2 3.36Å; Y251-E272 VanDerWaalsContact CD1-O 3.26Å; Y251-E272 WeakPolarHBondContact CD1-O 3.35Å; I252-E272 PolarHBondContact N-OE2 3.08Å; I252-E272 WeakPolarHBondContact O-CB 3.27Å; L268-E272 HydrophobicContact CD1-CG 3.8Å; L268-E272 HydrophobicContact CG-CG 4.19Å; L268-E272 WeakPolarHBondContact O-CB 3.48Å; L268-E272 WeakPolarHBondContact O-CG 3.49Å; L268-E272 PolarHBondContact O-N 3.26Å; F269-E272 PolarHBondContact O-N 3.37Å; E270-E272 PolarHBondContact O-N 2.72Å; E272-L276 WeakPolarHBondContact O-CB 3.35Å; E272-L276 PolarHBondContact O-N 2.84Å
273E91.9Very high90.4Very high34 Ų3454.6 Ų54.616%0.15927%0.274CS..Hα-helixtrans-66.3-47.8172.5-179.1175.3156.700111.6Y75 F255 F269 E270 L271 D275 L276 F277Y75-E273 VanDerWaalsContact CE1-OE1 3.31Å; Y75-E273 WeakPolarHBondContact CE1-OE1 3.29Å; Y75-E273 VanDerWaalsContact CZ-OE1 3.32Å; Y75-E273 VanDerWaalsContact OH-CD 3.31Å; Y75-E273 PolarHBondContact OH-OE1 3.1Å; Y75-E273 PolarHBondContact OH-OE2 2.95Å; F255-E273 HydrophobicContact CD1-CG 4.37Å; F255-E273 HydrophobicContact CE1-CB 4.1Å; F255-E273 HydrophobicContact CE1-CG 4.06Å; F269-E273 VanDerWaalsContact O-CB 3.28Å; F269-E273 WeakPolarHBondContact O-CB 3.4Å; F269-E273 PolarHBondContact O-N 3.41Å; E270-E273 WeakPolarHBondContact O-CB 3.44Å; E270-E273 PolarHBondContact O-N 3.17Å; L271-E273 VanDerWaalsContact C-N 3.33Å; E273-D275 VanDerWaalsContact C-N 3.35Å; E273-D275 PolarHBondContact O-N 3.29Å; E273-L276 PolarHBondContact O-N 3.41Å; E273-F277 HydrophobicContact CG-CD1 4.26Å; E273-F277 HydrophobicContact CG-CD2 4.04Å; E273-F277 HydrophobicContact CG-CE1 3.87Å; E273-F277 HydrophobicContact CG-CE2 3.61Å; E273-F277 HydrophobicContact CG-CG 4.34Å; E273-F277 HydrophobicContact CG-CZ 3.54Å; E273-F277 WeakPolarHBondContact O-CB 3.46Å; E273-F277 WeakPolarHBondContact O-CD1 3.19Å; E273-F277 VanDerWaalsContact O-CG 3.29Å; E273-F277 WeakPolarHBondContact O-CG 3.49Å; E273-F277 PolarHBondContact O-N 2.94Å; E273-F277 WeakPolarHBondContact OE1-CE2 3.1Å; E273-F277 WeakPolarHBondContact OE1-CZ 3.35Å
274E88.3Confident90.3Very high86 Ų8653.4 Ų53.440%0.40227%0.266SS..Hα-helixtrans-56.8-46.9175-74.2175.5-174.500111.7E270 L271 L276 F277 A278 T416E270-E274 WeakPolarHBondContact O-CG 3.42Å; E270-E274 PolarHBondContact O-N 2.85Å; L271-E274 PolarHBondContact O-N 2.88Å; E274-L276 PolarHBondContact O-N 2.99Å; E274-F277 PolarHBondContact O-N 2.84Å; E274-A278 WeakPolarHBondContact O-CB 3.49Å; E274-A278 PolarHBondContact O-N 3.08Å; E274-T416 HydrophobicContact CG-CG2 4.17Å
275D93.4Very high90Very high83 Ų8351.8 Ų51.844%0.44425%0.251SS..Hα-helixtrans-60-43.5176.9-85.8-3.2000112R249 Y251 L271 E273 D279R249-D275 IonicContact CZ-OD2 3.68Å; R249-D275 IonicContact NH2-OD2 3.86Å; R249-D275 PolarHBondContact NH2-OD2 3.3Å; Y251-D275 HydrophobicContact CD1-CB 4.21Å; Y251-D275 HydrophobicContact CE1-CB 3.8Å; L271-D275 PolarHBondContact O-N 2.94Å; E273-D275 VanDerWaalsContact C-N 3.35Å; E273-D275 PolarHBondContact O-N 3.29Å; D275-D279 PolarHBondContact O-N 2.99Å; D275-D279 VanDerWaalsContact O-N 3.13Å
276L94.6Very high89.5Confident0 Ų053.4 Ų53.40%026%0.26CS..Hα-helixtrans-65.4-43.7177.9177.660.6000110.8F72 I184 V215 Y251 F255 E272 E273 E274 D279 I280F72-L276 HydrophobicContact CE2-CD2 3.82Å; F72-L276 HydrophobicContact CZ-CD2 3.96Å; I184-L276 HydrophobicContact CD1-CD1 4.23Å; V215-L276 HydrophobicContact CG2-CD2 3.88Å; Y251-L276 HydrophobicContact CD1-CB 3.64Å; Y251-L276 HydrophobicContact CD2-CB 4.4Å; Y251-L276 HydrophobicContact CD2-CD1 3.85Å; Y251-L276 HydrophobicContact CE1-CB 3.86Å; Y251-L276 HydrophobicContact CE1-CD1 4.46Å; Y251-L276 HydrophobicContact CE2-CD1 3.87Å; Y251-L276 HydrophobicContact CG-CB 3.88Å; Y251-L276 HydrophobicContact CG-CD1 4.19Å; Y251-L276 HydrophobicContact CG-CG 4.42Å; F255-L276 HydrophobicContact CD1-CD2 4.3Å; F255-L276 HydrophobicContact CE1-CD2 3.56Å; F255-L276 HydrophobicContact CZ-CD2 3.84Å; E272-L276 WeakPolarHBondContact O-CB 3.35Å; E272-L276 PolarHBondContact O-N 2.84Å; E273-L276 PolarHBondContact O-N 3.41Å; E274-L276 PolarHBondContact O-N 2.99Å; L276-D279 PolarHBondContact O-N 3.47Å; L276-I280 HydrophobicContact CD1-CD1 4.07Å; L276-I280 HydrophobicContact CD1-CG1 4.41Å; L276-I280 HydrophobicContact CG-CD1 4.04Å; L276-I280 WeakPolarHBondContact O-CG1 3.36Å; L276-I280 PolarHBondContact O-N 3.25Å
277F92.3Very high89.2Confident1 Ų147.9 Ų47.90%0.00424%0.241CC..Hα-helixtrans-68.4-39-177.4-74.19.4000111Y75 L76 F255 E273 E274 D279 I280 Q281 A412 F413 T416Y75-F277 HydrophobicContact CD1-CZ 4.05Å; Y75-F277 HydrophobicContact CE1-CE2 4.33Å; Y75-F277 AromaticContact CE1-CZ 3.61Å; Y75-F277 HydrophobicContact CE1-CZ 3.61Å; L76-F277 HydrophobicContact CD2-CD1 3.9Å; L76-F277 HydrophobicContact CD2-CE1 3.3Å; L76-F277 HydrophobicContact CD2-CZ 3.73Å; F255-F277 HydrophobicContact CD1-CE1 4.26Å; F255-F277 HydrophobicContact CE1-CE1 4.38Å; E273-F277 HydrophobicContact CG-CD1 4.26Å; E273-F277 HydrophobicContact CG-CD2 4.04Å; E273-F277 HydrophobicContact CG-CE1 3.87Å; E273-F277 HydrophobicContact CG-CE2 3.61Å; E273-F277 HydrophobicContact CG-CG 4.34Å; E273-F277 HydrophobicContact CG-CZ 3.54Å; E273-F277 WeakPolarHBondContact O-CB 3.46Å; E273-F277 WeakPolarHBondContact O-CD1 3.19Å; E273-F277 VanDerWaalsContact O-CG 3.29Å; E273-F277 WeakPolarHBondContact O-CG 3.49Å; E273-F277 PolarHBondContact O-N 2.94Å; E273-F277 WeakPolarHBondContact OE1-CE2 3.1Å; E273-F277 WeakPolarHBondContact OE1-CZ 3.35Å; E274-F277 PolarHBondContact O-N 2.84Å; F277-D279 VanDerWaalsContact C-N 3.34Å; F277-D279 PolarHBondContact O-N 3.22Å; F277-I280 PolarHBondContact O-N 2.88Å; F277-Q281 WeakPolarHBondContact O-CB 3.43Å; F277-Q281 PolarHBondContact O-N 3.4Å; F277-A412 HydrophobicContact CD2-CB 4.46Å; F277-A412 HydrophobicContact CE2-CB 3.58Å; F277-A412 HydrophobicContact CZ-CB 3.94Å; F277-F413 HydrophobicContact CB-CD1 3.88Å; F277-F413 HydrophobicContact CB-CE1 3.92Å; F277-F413 HydrophobicContact CD1-CE1 4.35Å; F277-F413 HydrophobicContact CD2-CD1 4.43Å; F277-F413 HydrophobicContact CG-CD1 4.18Å; F277-F413 HydrophobicContact CG-CE1 4.06Å; F277-T416 HydrophobicContact CB-CG2 4.02Å; F277-T416 HydrophobicContact CD2-CG2 3.54Å; F277-T416 HydrophobicContact CE2-CG2 4.45Å; F277-T416 HydrophobicContact CG-CG2 4.26Å
278A89.3Confident88.9Confident41 Ų4140.9 Ų40.934%0.33921%0.213SC..Hα-helixtrans-60.6-41.7171.900000112E274 I280 Q281 N282E274-A278 WeakPolarHBondContact O-CB 3.49Å; E274-A278 PolarHBondContact O-N 3.08Å; A278-I280 PolarHBondContact O-N 3.34Å; A278-Q281 PolarHBondContact O-N 3.15Å; A278-N282 WeakPolarHBondContact O-CB 3.42Å; A278-N282 PolarHBondContact O-N 3.43Å; A278-N282 VanDerWaalsContact O-N 3.15Å; A278-N282 PolarHBondContact O-ND2 3.3Å
279D91.8Very high88.5Confident30 Ų3040.5 Ų40.516%0.1621%0.211CC..Hα-helixtrans-63.4-41176.4-176.759.2000112.1R182 R213 D275 L276 F277R182-D279 IonicContact CZ-OD1 2.81Å; R182-D279 IonicContact CZ-OD2 3.18Å; R182-D279 IonicContact NE-OD1 2.97Å; R182-D279 IonicContact NE-OD2 3.19Å; R182-D279 PolarHBondContact NE-OD2 3.39Å; R182-D279 IonicContact NH2-OD1 3.21Å; R182-D279 PolarHBondContact NH2-OD1 2.93Å; R182-D279 IonicContact NH2-OD2 3.67Å; R182-D279 PolarHBondContact NH2-OD2 3.15Å; R213-D279 IonicContact CZ-OD1 2.77Å; R213-D279 IonicContact CZ-OD2 2.74Å; R213-D279 IonicContact NE-OD1 2.68Å; R213-D279 IonicContact NE-OD2 3.51Å; R213-D279 PolarHBondContact NE-OD2 2.84Å; R213-D279 IonicContact NH2-OD1 3.33Å; R213-D279 PolarHBondContact NH2-OD1 3.42Å; R213-D279 IonicContact NH2-OD2 3.89Å; D275-D279 PolarHBondContact O-N 2.99Å; D275-D279 VanDerWaalsContact O-N 3.13Å; L276-D279 PolarHBondContact O-N 3.47Å; F277-D279 VanDerWaalsContact C-N 3.34Å; F277-D279 PolarHBondContact O-N 3.22Å
280I92.1Very high88.1Confident0 Ų041.9 Ų41.90%022%0.216CC..Hα-helixtrans-71.2-40.9176.8-63.8169.8000111F72 L76 I147 L276 F277 A278 N282 L283 F413F72-I280 HydrophobicContact CZ-CD1 4.45Å; L76-I280 HydrophobicContact CD1-CD1 4.31Å; I147-I280 HydrophobicContact CD1-CG2 3.88Å; L276-I280 HydrophobicContact CD1-CD1 4.07Å; L276-I280 HydrophobicContact CD1-CG1 4.41Å; L276-I280 HydrophobicContact CG-CD1 4.04Å; L276-I280 WeakPolarHBondContact O-CG1 3.36Å; L276-I280 PolarHBondContact O-N 3.25Å; F277-I280 PolarHBondContact O-N 2.88Å; A278-I280 PolarHBondContact O-N 3.34Å; I280-N282 PolarHBondContact O-N 3.33Å; I280-L283 HydrophobicContact CG2-CD1 4.19Å; I280-L283 VanDerWaalsContact O-CB 3.27Å; I280-L283 WeakPolarHBondContact O-CB 2.96Å; I280-L283 WeakPolarHBondContact O-CG 3.31Å; I280-L283 PolarHBondContact O-N 2.77Å; I280-F413 HydrophobicContact CB-CE1 3.98Å; I280-F413 HydrophobicContact CB-CZ 4.2Å; I280-F413 HydrophobicContact CG2-CE1 3.92Å; I280-F413 HydrophobicContact CG2-CZ 3.67Å
281Q89.2Confident88.1Confident54 Ų5439.4 Ų39.425%0.25220%0.204SC..Hα-helixtrans-64.3-29.7-177.4-168.7172.729.800112.6F277 A278 L283 P284 V408 F413F277-Q281 WeakPolarHBondContact O-CB 3.43Å; F277-Q281 PolarHBondContact O-N 3.4Å; A278-Q281 PolarHBondContact O-N 3.15Å; Q281-L283 VanDerWaalsContact C-N 3.3Å; Q281-L283 PolarHBondContact O-N 3.39Å; Q281-P284 WeakPolarHBondContact O-CD 3.33Å; Q281-V408 HydrophobicContact CB-CB 4.33Å; Q281-V408 HydrophobicContact CG-CB 4.06Å; Q281-V408 WeakPolarHBondContact CG-O 3.47Å; Q281-V408 PolarHBondContact NE2-O 3.35Å; Q281-V408 PolarHBondContact O-N 3.1Å; Q281-V408 VanDerWaalsContact O-N 3.15Å; Q281-F413 HydrophobicContact CB-CD1 4.22Å
282N86.7Confident88Confident57 Ų5735.6 Ų35.631%0.30518%0.184SC..THydrogen-bonded Turntrans-82.5-0.1176.5-72.7-49.3000113.9A278 I280 R285 N286A278-N282 WeakPolarHBondContact O-CB 3.42Å; A278-N282 PolarHBondContact O-N 3.43Å; A278-N282 VanDerWaalsContact O-N 3.15Å; A278-N282 PolarHBondContact O-ND2 3.3Å; I280-N282 PolarHBondContact O-N 3.33Å; N282-R285 PolarHBondContact O-N 3.44Å; N282-N286 PolarHBondContact O-N 2.99Å
283L89.3Confident87.6Confident0 Ų038.2 Ų38.20%020%0.199CC..THydrogen-bonded Turntrans-59.3-47.8-179.4-68.6177.1000114.1P57 V59 I147 D181 R182 I280 Q281 R285 N286 A287 R290P57-L283 HydrophobicContact CB-CB 4.06Å; P57-L283 HydrophobicContact CG-CB 4.44Å; V59-L283 HydrophobicContact CG2-CD1 3.38Å; I147-L283 HydrophobicContact CG2-CB 4.32Å; D181-L283 HydrophobicContact CB-CD2 4.22Å; R182-L283 HydrophobicContact CB-CD1 3.99Å; R182-L283 HydrophobicContact CB-CD2 4.12Å; I280-L283 HydrophobicContact CG2-CD1 4.19Å; I280-L283 VanDerWaalsContact O-CB 3.27Å; I280-L283 WeakPolarHBondContact O-CB 2.96Å; I280-L283 WeakPolarHBondContact O-CG 3.31Å; I280-L283 PolarHBondContact O-N 2.77Å; Q281-L283 VanDerWaalsContact C-N 3.3Å; Q281-L283 PolarHBondContact O-N 3.39Å; L283-R285 PolarHBondContact O-N 3Å; L283-N286 PolarHBondContact O-N 2.74Å; L283-A287 PolarHBondContact O-N 2.74Å; L283-R290 PolarHBondContact O-NH1 3Å; L283-R290 PolarHBondContact O-NH2 2.81Å
284P85.7Confident87.3Confident39 Ų3939.4 Ų39.425%0.25321%0.206SC..THydrogen-bonded Turntrans-62.1-41.3179.6-22.134.2000113I147 Q281 N286 A287 V408I147-P284 HydrophobicContact CG2-CG 4.07Å; Q281-P284 WeakPolarHBondContact O-CD 3.33Å; P284-N286 VanDerWaalsContact C-N 3.28Å; P284-N286 PolarHBondContact O-N 3.1Å; P284-A287 VanDerWaalsContact O-CB 3.27Å; P284-A287 WeakPolarHBondContact O-CB 3.42Å; P284-A287 PolarHBondContact O-N 3.08Å; P284-V408 HydrophobicContact CG-CG2 4.01Å
285R79.9Confident87.4Confident81 Ų8135.6 Ų35.631%0.30619%0.188SC..THydrogen-bonded Turntrans-59.4-40-179.5-68.2179.8171.8176.2-8.6112.3N282 L283 A402 G403 Q405N282-R285 PolarHBondContact O-N 3.44Å; L283-R285 PolarHBondContact O-N 3Å; R285-A402 HydrophobicContact CG-CB 4.37Å; R285-A402 PolarHBondContact NE-O 3.35Å; R285-A402 VanDerWaalsContact NE-O 3.11Å; R285-G403 PolarHBondContact NH2-O 3.13Å; R285-Q405 PolarHBondContact NE-O 3.19Å; R285-Q405 PolarHBondContact NH2-O 3.29Å
286N80Confident87.4Confident61 Ų6132.7 Ų32.733%0.32617%0.174SC..THydrogen-bonded Turntrans-94.15.3-176.2-66.9-25.1000113.4N282 L283 P284 A288 L289 R290N282-N286 PolarHBondContact O-N 2.99Å; L283-N286 PolarHBondContact O-N 2.74Å; P284-N286 VanDerWaalsContact C-N 3.28Å; P284-N286 PolarHBondContact O-N 3.1Å; N286-A288 PolarHBondContact O-N 3.09Å; N286-L289 PolarHBondContact O-N 2.84Å; N286-R290 VanDerWaalsContact CB-NH2 3.31Å; N286-R290 WeakPolarHBondContact O-CG 3.4Å; N286-R290 PolarHBondContact O-N 2.98Å
287A82.8Confident87.1Confident11 Ų1137.6 Ų37.69%0.09120%0.195CC..Hα-helixtrans-63.8-42.2-173.200000112.7P57 L283 P284 R290 K291P57-A287 HydrophobicContact CG-CB 3.9Å; L283-A287 PolarHBondContact O-N 2.74Å; P284-A287 VanDerWaalsContact O-CB 3.27Å; P284-A287 WeakPolarHBondContact O-CB 3.42Å; P284-A287 PolarHBondContact O-N 3.08Å; A287-R290 PolarHBondContact O-N 3.23Å; A287-K291 WeakPolarHBondContact O-CG 3.48Å; A287-K291 PolarHBondContact O-N 3.3Å
288A83.1Confident87.1Confident13 Ų1338.8 Ų38.811%0.10720%0.2CC..Hα-helixtrans-64.8-43.117900000111.8V19 N286 R290 K291 L292 L395V19-A288 HydrophobicContact CB-CB 4.47Å; V19-A288 HydrophobicContact CG1-CB 4.34Å; N286-A288 PolarHBondContact O-N 3.09Å; A288-R290 PolarHBondContact O-N 3.21Å; A288-K291 PolarHBondContact O-N 2.84Å; A288-L292 WeakPolarHBondContact O-CB 2.83Å; A288-L292 PolarHBondContact O-N 2.99Å; A288-L395 HydrophobicContact CB-CD1 3.52Å
289L84.2Confident87.3Confident50 Ų5036.9 Ų36.926%0.26218%0.184SC..Hα-helixtrans-62.4-41.5175.7179.263.2000111.6N286 L292 N293 L395N286-L289 PolarHBondContact O-N 2.84Å; L289-L292 WeakPolarHBondContact O-CB 3.31Å; L289-L292 PolarHBondContact O-N 3.5Å; L289-N293 VanDerWaalsContact O-CG 3.32Å; L289-N293 PolarHBondContact O-N 3.07Å; L289-N293 PolarHBondContact O-ND2 3.35Å; L289-L395 HydrophobicContact CB-CD1 4.34Å; L289-L395 HydrophobicContact CB-CD2 3.99Å; L289-L395 HydrophobicContact CD1-CD2 3.54Å; L289-L395 HydrophobicContact CG-CD2 4.33Å
290R83.8Confident87.4Confident37 Ų3740.7 Ų40.714%0.1420%0.196CC..Hα-helixtrans-64.1-48.2175-71.5-168.6-146.490.613.3112.2D181 L283 N286 A287 A288 L292 N293 D294D181-R290 IonicContact OD1-CZ 3.62Å; D181-R290 IonicContact OD1-NE 3.39Å; D181-R290 IonicContact OD1-NH1 3.36Å; D181-R290 PolarHBondContact OD1-NH1 3.1Å; L283-R290 PolarHBondContact O-NH1 3Å; L283-R290 PolarHBondContact O-NH2 2.81Å; N286-R290 VanDerWaalsContact CB-NH2 3.31Å; N286-R290 WeakPolarHBondContact O-CG 3.4Å; N286-R290 PolarHBondContact O-N 2.98Å; A287-R290 PolarHBondContact O-N 3.23Å; A288-R290 PolarHBondContact O-N 3.21Å; R290-L292 PolarHBondContact O-N 3.12Å; R290-N293 WeakPolarHBondContact O-CB 3.39Å; R290-N293 PolarHBondContact O-N 3.36Å; R290-D294 PolarHBondContact O-N 2.79Å
291K86.5Confident87.5Confident43 Ų4342.9 Ų42.919%0.18721%0.207CC..Hα-helixtrans-57.4-39176.5-74.1172.3-179.8169.90111.6L23 F53 N55 A287 A288 L295L23-K291 HydrophobicContact CD1-CB 3.93Å; F53-K291 WeakPolarHBondContact O-CE 3.48Å; F53-K291 PolarHBondContact O-NZ 3.47Å; N55-K291 PolarHBondContact O-NZ 3.43Å; A287-K291 WeakPolarHBondContact O-CG 3.48Å; A287-K291 PolarHBondContact O-N 3.3Å; A288-K291 PolarHBondContact O-N 2.84Å; K291-L295 WeakPolarHBondContact O-CB 3.42Å; K291-L295 PolarHBondContact O-N 3.44Å
292L89.2Confident87.8Confident4 Ų440.4 Ų40.42%0.02120%0.196CC..Hα-helixtrans-61.3-51.3172.4174.169.5000111.4L23 A288 L289 R290 D294 L295 V296 I388 M392 L395L23-L292 HydrophobicContact CD1-CB 4.22Å; L23-L292 HydrophobicContact CD2-CB 4.17Å; L23-L292 HydrophobicContact CD2-CD1 3.55Å; L23-L292 HydrophobicContact CD2-CG 4.49Å; A288-L292 WeakPolarHBondContact O-CB 2.83Å; A288-L292 PolarHBondContact O-N 2.99Å; L289-L292 WeakPolarHBondContact O-CB 3.31Å; L289-L292 PolarHBondContact O-N 3.5Å; R290-L292 PolarHBondContact O-N 3.12Å; L292-D294 VanDerWaalsContact C-N 3.33Å; L292-D294 PolarHBondContact O-N 3.13Å; L292-L295 PolarHBondContact O-N 2.77Å; L292-V296 WeakPolarHBondContact O-CG2 3.43Å; L292-V296 PolarHBondContact O-N 3.36Å; L292-I388 HydrophobicContact CD1-CB 4.4Å; L292-I388 HydrophobicContact CD1-CG1 3.93Å; L292-I388 HydrophobicContact CD1-CG2 3.85Å; L292-I388 HydrophobicContact CD2-CG2 4.41Å; L292-M392 HydrophobicContact CD2-SD 3.64Å; L292-L395 HydrophobicContact CD2-CD2 3.99Å
293N86.8Confident88.3Confident78 Ų7839.6 Ų39.642%0.41719%0.188SC..Hα-helixtrans-60-41.4179.6-74-25.7000112.3L289 R290 V296 K297L289-N293 VanDerWaalsContact O-CG 3.32Å; L289-N293 PolarHBondContact O-N 3.07Å; L289-N293 PolarHBondContact O-ND2 3.35Å; R290-N293 WeakPolarHBondContact O-CB 3.39Å; R290-N293 PolarHBondContact O-N 3.36Å; N293-V296 WeakPolarHBondContact O-CB 3.3Å; N293-V296 PolarHBondContact O-N 3.18Å; N293-K297 WeakPolarHBondContact O-CG 3.49Å; N293-K297 PolarHBondContact O-N 2.94Å
294D85.4Confident88.6Confident59 Ų5939.6 Ų39.632%0.31619%0.188SC..Hα-helixtrans-67.6-38.4177.5-72.9-16.4000111.7R290 L292 V296 K297 R298R290-D294 PolarHBondContact O-N 2.79Å; L292-D294 VanDerWaalsContact C-N 3.33Å; L292-D294 PolarHBondContact O-N 3.13Å; D294-V296 VanDerWaalsContact C-N 3.32Å; D294-V296 PolarHBondContact O-N 2.85Å; D294-K297 PolarHBondContact O-N 3.3Å; D294-R298 VanDerWaalsContact O-CB 3.27Å; D294-R298 WeakPolarHBondContact O-CB 3.16Å; D294-R298 PolarHBondContact O-N 3.36Å
295L90.4Very high89.1Confident5 Ų537.8 Ų37.83%0.02618%0.177CC..Hα-helixtrans-63.3-38.6172.6-173.266.5000111.6L23 Y27 L31 K291 L292 A299L23-L295 HydrophobicContact CB-CD2 4.32Å; L23-L295 HydrophobicContact CD2-CD2 3.77Å; Y27-L295 HydrophobicContact CD2-CD1 3.82Å; Y27-L295 HydrophobicContact CG-CD1 4.37Å; L31-L295 HydrophobicContact CD2-CD1 3.81Å; K291-L295 WeakPolarHBondContact O-CB 3.42Å; K291-L295 PolarHBondContact O-N 3.44Å; L292-L295 PolarHBondContact O-N 2.77Å; L295-A299 WeakPolarHBondContact O-CB 3.11Å; L295-A299 PolarHBondContact O-N 3.08Å
296V91.8Very high90Very high23 Ų2334 Ų3414%0.13916%0.162CC..Hα-helixtrans-64.9-49.2174.8171.80000111.3L292 N293 D294 R298 A299 R300 L384 I388L292-V296 WeakPolarHBondContact O-CG2 3.43Å; L292-V296 PolarHBondContact O-N 3.36Å; N293-V296 WeakPolarHBondContact O-CB 3.3Å; N293-V296 PolarHBondContact O-N 3.18Å; D294-V296 VanDerWaalsContact C-N 3.32Å; D294-V296 PolarHBondContact O-N 2.85Å; V296-R298 VanDerWaalsContact C-N 3.31Å; V296-R298 PolarHBondContact O-N 3.01Å; V296-A299 PolarHBondContact O-N 3.29Å; V296-R300 WeakPolarHBondContact O-CG 3.26Å; V296-R300 PolarHBondContact O-N 2.89Å; V296-L384 HydrophobicContact CG1-CD2 4.2Å; V296-I388 HydrophobicContact CG2-CD1 3.45Å; V296-I388 VanDerWaalsContact CG2-CD1 3.45Å; V296-I388 HydrophobicContact CG2-CG1 4.48Å
297K88.8Confident90.8Very high102 Ų10231.9 Ų31.944%0.44315%0.15SC..Hα-helixtrans-56.1-47.8176.3-74176.6-179.2176.40110.2D210 N293 D294 A299 R300 L301D210-K297 IonicContact OD2-NZ 3.39Å; N293-K297 WeakPolarHBondContact O-CG 3.49Å; N293-K297 PolarHBondContact O-N 2.94Å; D294-K297 PolarHBondContact O-N 3.3Å; K297-A299 PolarHBondContact O-N 2.82Å; K297-R300 PolarHBondContact O-N 3.05Å; K297-L301 PolarHBondContact O-N 3.3Å; K297-L301 VanDerWaalsContact O-N 3.09Å
298R91.8Very high91.4Very high27 Ų2731.4 Ų31.410%0.10215%0.146CC..Hα-helixtrans-60.9-45.4176.4-172.7177-179101.83.4112.2L31 E35 S45 L46 D294 V296 R300 L301 V302L31-R298 HydrophobicContact CD2-CG 4.17Å; E35-R298 VanDerWaalsContact CD-NH2 3.34Å; E35-R298 IonicContact OE1-CZ 3.35Å; E35-R298 IonicContact OE1-NE 3.77Å; E35-R298 PolarHBondContact OE1-NE 3.19Å; E35-R298 IonicContact OE1-NH2 3.68Å; E35-R298 PolarHBondContact OE1-NH2 3.27Å; E35-R298 IonicContact OE2-CZ 2.98Å; E35-R298 IonicContact OE2-NE 2.87Å; E35-R298 IonicContact OE2-NH2 2.93Å; E35-R298 PolarHBondContact OE2-NH2 3.2Å; S45-R298 PolarHBondContact OG-NH1 3.21Å; L46-R298 PolarHBondContact O-NH2 2.98Å; D294-R298 VanDerWaalsContact O-CB 3.27Å; D294-R298 WeakPolarHBondContact O-CB 3.16Å; D294-R298 PolarHBondContact O-N 3.36Å; V296-R298 VanDerWaalsContact C-N 3.31Å; V296-R298 PolarHBondContact O-N 3.01Å; R298-R300 VanDerWaalsContact C-N 3.32Å; R298-R300 PolarHBondContact O-N 3.13Å; R298-L301 PolarHBondContact O-N 3.04Å; R298-V302 HydrophobicContact CG-CG2 4.3Å; R298-V302 WeakPolarHBondContact O-CB 3.34Å; R298-V302 VanDerWaalsContact O-CG2 3.23Å; R298-V302 WeakPolarHBondContact O-CG2 3.33Å; R298-V302 PolarHBondContact O-N 3.32Å
299A94.8Very high92.1Very high0 Ų030.8 Ų30.80%014%0.141CC..Hα-helixtrans-58.8-41.5178.100000112.5L31 L295 V296 K297 V302 R303 L380 L383 L384L31-A299 HydrophobicContact CD1-CB 4.06Å; L31-A299 HydrophobicContact CD2-CB 4.23Å; L295-A299 WeakPolarHBondContact O-CB 3.11Å; L295-A299 PolarHBondContact O-N 3.08Å; V296-A299 PolarHBondContact O-N 3.29Å; K297-A299 PolarHBondContact O-N 2.82Å; A299-V302 PolarHBondContact O-N 3.43Å; A299-R303 WeakPolarHBondContact O-CB 3.31Å; A299-R303 PolarHBondContact O-N 2.87Å; A299-L380 HydrophobicContact CB-CD1 3.77Å; A299-L383 HydrophobicContact CB-CD2 4.39Å; A299-L384 HydrophobicContact CB-CD2 3.85Å; A299-L384 HydrophobicContact CB-CG 4.38Å
300R94.3Very high92.7Very high111 Ų11128.8 Ų28.842%0.41913%0.131SC..Hα-helixtrans-65.1-43.7175.2-69178.1-174.1179.42.5112.3V296 K297 R298 R303 V304 D350V296-R300 WeakPolarHBondContact O-CG 3.26Å; V296-R300 PolarHBondContact O-N 2.89Å; K297-R300 PolarHBondContact O-N 3.05Å; R298-R300 VanDerWaalsContact C-N 3.32Å; R298-R300 PolarHBondContact O-N 3.13Å; R300-R303 VanDerWaalsContact O-CB 3.3Å; R300-R303 WeakPolarHBondContact O-CB 3.37Å; R300-R303 PolarHBondContact O-N 3.5Å; R300-V304 WeakPolarHBondContact O-CG2 3.35Å; R300-V304 PolarHBondContact O-N 3.25Å; R300-D350 HydrophobicContact CB-CB 4.43Å; R300-D350 WeakPolarHBondContact CD-OD1 3.27Å
301L93.5Very high93.3Very high46 Ų4628.8 Ų28.824%0.24113%0.132CC..Hα-helixtrans-64.4-41.3176.8-177.360.2000111.9F40 K297 R298 R303 V304 H305 P352F40-L301 HydrophobicContact CE2-CD2 4.35Å; F40-L301 HydrophobicContact CE2-CG 4.05Å; F40-L301 HydrophobicContact CZ-CD2 4.05Å; F40-L301 HydrophobicContact CZ-CG 4.21Å; K297-L301 PolarHBondContact O-N 3.3Å; K297-L301 VanDerWaalsContact O-N 3.09Å; R298-L301 PolarHBondContact O-N 3.04Å; L301-R303 VanDerWaalsContact C-N 3.34Å; L301-R303 PolarHBondContact O-N 3.4Å; L301-V304 PolarHBondContact O-N 3.46Å; L301-H305 WeakPolarHBondContact O-CB 3.48Å; L301-H305 PolarHBondContact O-N 3.36Å; L301-P352 HydrophobicContact CD1-CB 4.28Å
302V95.9Very high93.7Very high1 Ų126.8 Ų26.81%0.00612%0.123CC..Hα-helixtrans-61.7-41.1175.3166.90000111.3L31 L34 E35 F40 R298 A299 H305 A306L31-V302 HydrophobicContact CD1-CB 3.86Å; L31-V302 HydrophobicContact CD1-CG1 3.65Å; L31-V302 HydrophobicContact CD1-CG2 4.11Å; L34-V302 HydrophobicContact CB-CG1 4.24Å; L34-V302 HydrophobicContact CD2-CG1 3.42Å; L34-V302 VanDerWaalsContact CD2-CG1 3.42Å; L34-V302 HydrophobicContact CG-CG1 4.35Å; E35-V302 HydrophobicContact CG-CG1 4.17Å; E35-V302 HydrophobicContact CG-CG2 3.71Å; F40-V302 HydrophobicContact CD1-CG2 4.21Å; F40-V302 HydrophobicContact CD2-CB 4.35Å; F40-V302 HydrophobicContact CD2-CG2 3.63Å; F40-V302 HydrophobicContact CE1-CG2 4.02Å; F40-V302 HydrophobicContact CE2-CB 4.22Å; F40-V302 HydrophobicContact CE2-CG2 3.42Å; F40-V302 VanDerWaalsContact CE2-CG2 3.42Å; F40-V302 HydrophobicContact CG-CG2 4.03Å; F40-V302 HydrophobicContact CZ-CG2 3.63Å; R298-V302 HydrophobicContact CG-CG2 4.3Å; R298-V302 WeakPolarHBondContact O-CB 3.34Å; R298-V302 VanDerWaalsContact O-CG2 3.23Å; R298-V302 WeakPolarHBondContact O-CG2 3.33Å; R298-V302 PolarHBondContact O-N 3.32Å; A299-V302 PolarHBondContact O-N 3.43Å; V302-H305 PolarHBondContact O-N 2.96Å; V302-A306 WeakPolarHBondContact O-CB 3.26Å; V302-A306 PolarHBondContact O-N 2.87Å
303R95.7Very high94Very high41 Ų4129.9 Ų29.916%0.15514%0.136CC..Hα-helixtrans-56.9-52172.7-172178.154.5141.9-2.9111.2A299 R300 L301 A306 H307 D350 M377 L380A299-R303 WeakPolarHBondContact O-CB 3.31Å; A299-R303 PolarHBondContact O-N 2.87Å; R300-R303 VanDerWaalsContact O-CB 3.3Å; R300-R303 WeakPolarHBondContact O-CB 3.37Å; R300-R303 PolarHBondContact O-N 3.5Å; L301-R303 VanDerWaalsContact C-N 3.34Å; L301-R303 PolarHBondContact O-N 3.4Å; R303-A306 WeakPolarHBondContact O-CB 3.46Å; R303-A306 PolarHBondContact O-N 3.29Å; R303-H307 PolarHBondContact O-CD2 3.44Å; R303-H307 PolarHBondContact O-N 3.49Å; R303-H307 VanDerWaalsContact O-N 3.13Å; R303-D350 IonicContact NH2-OD2 2.83Å; R303-D350 PolarHBondContact NH2-OD2 3.03Å; R303-D350 VanDerWaalsContact NH2-OD2 3.08Å; R303-M377 HydrophobicContact CG-CE 3.73Å; R303-L380 HydrophobicContact CB-CD2 3.6Å; R303-L380 HydrophobicContact CG-CD2 4.13Å
304V96.4Very high94.3Very high0 Ų033.4 Ų33.40%015%0.15CC..Hα-helixtrans-61.2-47.2-179.7171.50000111R300 L301 A306 H307 I308 I346 D350 F351R300-V304 WeakPolarHBondContact O-CG2 3.35Å; R300-V304 PolarHBondContact O-N 3.25Å; L301-V304 PolarHBondContact O-N 3.46Å; V304-A306 VanDerWaalsContact C-N 3.3Å; V304-A306 PolarHBondContact O-N 3.4Å; V304-H307 PolarHBondContact O-N 3.15Å; V304-H307 VanDerWaalsContact O-N 3.13Å; V304-I308 HydrophobicContact CG1-CD1 3.63Å; V304-I308 HydrophobicContact CG1-CG1 4.28Å; V304-I308 WeakPolarHBondContact O-CG1 3.41Å; V304-I308 PolarHBondContact O-N 2.94Å; V304-I346 HydrophobicContact CG2-CD1 4.06Å; V304-I346 HydrophobicContact CG2-CG2 3.64Å; V304-D350 HydrophobicContact CG2-CB 3.87Å; V304-F351 HydrophobicContact CG1-CB 4.48Å; V304-F351 HydrophobicContact CG1-CD1 3.48Å; V304-F351 VanDerWaalsContact CG1-CD1 3.48Å; V304-F351 HydrophobicContact CG1-CD2 4.32Å; V304-F351 HydrophobicContact CG1-CE1 3.65Å; V304-F351 HydrophobicContact CG1-CE2 4.46Å; V304-F351 HydrophobicContact CG1-CG 3.85Å; V304-F351 HydrophobicContact CG1-CZ 4.16Å; V304-F351 HydrophobicContact CG2-CE2 4.48Å
305H96.9Very high94.7Very high1 Ų133.9 Ų33.91%0.00515%0.151CC..Hα-helixtrans-56-44.9176.8-177.371.7000111.9Y38 F40 F43 H44 L301 V302 H307 I308 I309Y38-H305 PolarHBondContact O-NE2 3.25Å; F40-H305 HydrophobicContact CD2-CB 4.03Å; F40-H305 AromaticContact CD2-CD2 3.92Å; F40-H305 AromaticContact CD2-CG 3.98Å; F40-H305 HydrophobicContact CE2-CB 4.32Å; F43-H305 AromaticContact CD2-CE1 3.39Å; F43-H305 WeakPolarHBondContact CD2-CE1 3.47Å; F43-H305 AromaticContact CD2-NE2 3.89Å; F43-H305 AromaticContact CE2-CE1 3.98Å; F43-H305 AromaticContact CG-CE1 3.56Å; H44-H305 AromaticContact CD2-CG 3.88Å; H44-H305 AromaticContact CD2-ND1 3.59Å; H44-H305 AromaticContact NE2-CE1 3.81Å; H44-H305 AromaticContact NE2-CG 3.6Å; H44-H305 AromaticContact NE2-ND1 3.02Å; H44-H305 PolarHBondContact NE2-ND1 3.28Å; L301-H305 WeakPolarHBondContact O-CB 3.48Å; L301-H305 PolarHBondContact O-N 3.36Å; V302-H305 PolarHBondContact O-N 2.96Å; H305-H307 VanDerWaalsContact C-N 3.34Å; H305-H307 PolarHBondContact O-N 3.03Å; H305-I308 PolarHBondContact O-N 3.4Å; H305-I309 WeakPolarHBondContact NE2-CG1 3.42Å; H305-I309 WeakPolarHBondContact O-CG1 3.46Å; H305-I309 PolarHBondContact O-N 2.93Å
306A96.9Very high94.8Very high0 Ų034.7 Ų34.70%015%0.154CC..Hα-helixtrans-60-42.1177.200000112.7L34 Y38 V302 R303 V304 S310 M377L34-A306 HydrophobicContact CD2-CB 3.67Å; Y38-A306 HydrophobicContact CD1-CB 4.46Å; Y38-A306 HydrophobicContact CD2-CB 3.57Å; Y38-A306 HydrophobicContact CE1-CB 4.45Å; Y38-A306 HydrophobicContact CE2-CB 3.53Å; Y38-A306 HydrophobicContact CG-CB 4.05Å; V302-A306 WeakPolarHBondContact O-CB 3.26Å; V302-A306 PolarHBondContact O-N 2.87Å; R303-A306 WeakPolarHBondContact O-CB 3.46Å; R303-A306 PolarHBondContact O-N 3.29Å; V304-A306 VanDerWaalsContact C-N 3.3Å; V304-A306 PolarHBondContact O-N 3.4Å; A306-S310 WeakPolarHBondContact O-CB 3.42Å; A306-S310 PolarHBondContact O-N 2.94Å; A306-S310 PolarHBondContact O-OG 3.37Å; A306-M377 HydrophobicContact CB-SD 4.01Å
307H97.1Very high94.6Very high18 Ų1835.7 Ų35.78%0.08316%0.161CC..Hα-helixtrans-65.1-43.7174.9-74.5-70.4000112.1R303 V304 H305 S310 Y311 I340 H344 M377R303-H307 PolarHBondContact O-CD2 3.44Å; R303-H307 PolarHBondContact O-N 3.49Å; R303-H307 VanDerWaalsContact O-N 3.13Å; V304-H307 PolarHBondContact O-N 3.15Å; V304-H307 VanDerWaalsContact O-N 3.13Å; H305-H307 VanDerWaalsContact C-N 3.34Å; H305-H307 PolarHBondContact O-N 3.03Å; H307-S310 PolarHBondContact O-N 2.84Å; H307-Y311 VanDerWaalsContact O-CB 3.27Å; H307-Y311 WeakPolarHBondContact O-CB 3.2Å; H307-Y311 PolarHBondContact O-N 3.15Å; H307-I340 HydrophobicContact CB-CD1 4.43Å; H307-I340 HydrophobicContact CB-CG2 3.79Å; H307-H344 AromaticContact CE1-CD2 3.84Å; H307-H344 AromaticContact CE1-CE1 3.54Å; H307-H344 AromaticContact CE1-CG 3.73Å; H307-H344 AromaticContact CE1-ND1 3.54Å; H307-H344 AromaticContact CE1-NE2 3.71Å; H307-H344 AromaticContact ND1-CD2 3.55Å; H307-H344 AromaticContact ND1-CE1 3.63Å; H307-H344 AromaticContact ND1-CG 3.91Å; H307-H344 AromaticContact ND1-ND1 3.96Å; H307-H344 AromaticContact ND1-NE2 3.33Å; H307-H344 PolarHBondContact ND1-NE2 3.08Å; H307-M377 VanDerWaalsContact NE2-CE 3.32Å; H307-M377 WeakPolarHBondContact NE2-CE 3.25Å
308I96.8Very high94.2Very high0 Ų036 Ų360%018%0.176CC..Hα-helixtrans-59.2-55.3177.6-66.1163000110.1V304 H305 S310 Y311 L312 L333 F337 I340 F351 P352 M357V304-I308 HydrophobicContact CG1-CD1 3.63Å; V304-I308 HydrophobicContact CG1-CG1 4.28Å; V304-I308 WeakPolarHBondContact O-CG1 3.41Å; V304-I308 PolarHBondContact O-N 2.94Å; H305-I308 PolarHBondContact O-N 3.4Å; I308-S310 VanDerWaalsContact C-N 3.3Å; I308-S310 PolarHBondContact O-N 3.05Å; I308-Y311 PolarHBondContact O-N 3.12Å; I308-L312 HydrophobicContact CG2-CD1 3.94Å; I308-L312 HydrophobicContact CG2-CG 4.41Å; I308-L312 VanDerWaalsContact O-CG 3.27Å; I308-L312 WeakPolarHBondContact O-CG 3.45Å; I308-L312 PolarHBondContact O-N 2.95Å; I308-L333 HydrophobicContact CG2-CD1 4.34Å; I308-F337 HydrophobicContact CD1-CD1 4.13Å; I308-F337 HydrophobicContact CD1-CE1 3.4Å; I308-F337 HydrophobicContact CD1-CZ 3.83Å; I308-F337 HydrophobicContact CG1-CD1 4.2Å; I308-F337 HydrophobicContact CG1-CE1 3.78Å; I308-F337 HydrophobicContact CG2-CE1 4.32Å; I308-I340 HydrophobicContact CB-CD1 4.43Å; I308-I340 HydrophobicContact CG1-CD1 3.87Å; I308-F351 HydrophobicContact CD1-CD1 4.33Å; I308-P352 HydrophobicContact CD1-CG 4.29Å; I308-M357 HydrophobicContact CG2-CE 4.01Å
309I97.1Very high93.2Very high1 Ų139.5 Ų39.51%0.00520%0.2CC..Hα-helixtrans-61-40.5-178.5-63.6-56.9000111.4Y38 F43 H305 K313 M357 L361 F369Y38-I309 HydrophobicContact CD1-CB 4.33Å; Y38-I309 HydrophobicContact CD1-CG2 4.11Å; F43-I309 HydrophobicContact CE2-CD1 4.19Å; F43-I309 HydrophobicContact CZ-CD1 4.06Å; H305-I309 WeakPolarHBondContact NE2-CG1 3.42Å; H305-I309 WeakPolarHBondContact O-CG1 3.46Å; H305-I309 PolarHBondContact O-N 2.93Å; I309-K313 WeakPolarHBondContact O-CB 3.27Å; I309-K313 PolarHBondContact O-N 3.28Å; I309-M357 HydrophobicContact CD1-CE 4.31Å; I309-L361 HydrophobicContact CD1-CD2 4.37Å; I309-F369 HydrophobicContact CD1-CD2 4.37Å; I309-F369 HydrophobicContact CD1-CE1 4.24Å; I309-F369 HydrophobicContact CD1-CE2 3.97Å; I309-F369 HydrophobicContact CD1-CZ 3.91Å; I309-F369 HydrophobicContact CG2-CB 3.79Å; I309-F369 HydrophobicContact CG2-CD1 4.11Å; I309-F369 HydrophobicContact CG2-CD2 4.11Å; I309-F369 HydrophobicContact CG2-CG 3.77Å
310S96.3Very high92.4Very high8 Ų847.4 Ų47.46%0.05624%0.235CC..Hα-helixtrans-66.2-42.2178.1-61.70000112.6Y38 A306 H307 I308 K313 Q314 L372Y38-S310 VanDerWaalsContact CE1-OG 3.3Å; Y38-S310 WeakPolarHBondContact CE1-OG 3.27Å; A306-S310 WeakPolarHBondContact O-CB 3.42Å; A306-S310 PolarHBondContact O-N 2.94Å; A306-S310 PolarHBondContact O-OG 3.37Å; H307-S310 PolarHBondContact O-N 2.84Å; I308-S310 VanDerWaalsContact C-N 3.3Å; I308-S310 PolarHBondContact O-N 3.05Å; S310-K313 WeakPolarHBondContact O-CB 3.32Å; S310-K313 PolarHBondContact O-N 2.88Å; S310-Q314 WeakPolarHBondContact O-CB 3.39Å; S310-Q314 PolarHBondContact O-N 3.11Å; S310-L372 VanDerWaalsContact OG-CA 3.31Å; S310-L372 WeakPolarHBondContact OG-CA 3.5Å; S310-L372 WeakPolarHBondContact OG-CD1 3.4Å; S310-L372 PolarHBondContact OG-N 3.4Å
311Y96.4Very high91.7Very high37 Ų3752.2 Ų52.215%0.14525%0.253CS..Hα-helixtrans-64.3-46.7177.5-174.6-89.6000111H307 I308 K313 Q314 E315 I336H307-Y311 VanDerWaalsContact O-CB 3.27Å; H307-Y311 WeakPolarHBondContact O-CB 3.2Å; H307-Y311 PolarHBondContact O-N 3.15Å; I308-Y311 PolarHBondContact O-N 3.12Å; Y311-K313 VanDerWaalsContact C-N 3.27Å; Y311-K313 PolarHBondContact O-N 2.88Å; Y311-Q314 WeakPolarHBondContact O-CB 3.49Å; Y311-Q314 PolarHBondContact O-N 2.97Å; Y311-Q314 VanDerWaalsContact O-N 3.1Å; Y311-E315 HydrophobicContact CD1-CG 4.14Å; Y311-E315 HydrophobicContact CE1-CG 3.67Å; Y311-E315 PolarHBondContact O-N 2.9Å; Y311-I336 HydrophobicContact CD1-CB 4.48Å; Y311-I336 HydrophobicContact CD1-CD1 4.22Å; Y311-I336 HydrophobicContact CD1-CG1 4.25Å; Y311-I336 HydrophobicContact CD1-CG2 3.47Å; Y311-I336 VanDerWaalsContact CD1-CG2 3.47Å; Y311-I336 HydrophobicContact CE1-CB 4.33Å; Y311-I336 HydrophobicContact CE1-CD1 3.98Å; Y311-I336 HydrophobicContact CE1-CG1 3.77Å; Y311-I336 HydrophobicContact CE1-CG2 3.76Å; Y311-I336 HydrophobicContact CG-CG2 4.17Å
312L95.5Very high91.3Very high0 Ų053.4 Ų53.40%026%0.257CS..Hα-helixtrans-58.7-41.4175.6-66.9176.4000111.2I308 E315 M316 L329 I336 L361 F366 F369I308-L312 HydrophobicContact CG2-CD1 3.94Å; I308-L312 HydrophobicContact CG2-CG 4.41Å; I308-L312 VanDerWaalsContact O-CG 3.27Å; I308-L312 WeakPolarHBondContact O-CG 3.45Å; I308-L312 PolarHBondContact O-N 2.95Å; L312-E315 PolarHBondContact O-N 3.23Å; L312-M316 VanDerWaalsContact O-CG 3.25Å; L312-M316 WeakPolarHBondContact O-CG 3.38Å; L312-M316 PolarHBondContact O-N 3.37Å; L312-L329 HydrophobicContact CD2-CB 3.89Å; L312-L329 HydrophobicContact CD2-CD1 4.23Å; L312-L329 HydrophobicContact CD2-CD2 4.5Å; L312-L329 HydrophobicContact CD2-CG 4.44Å; L312-I336 HydrophobicContact CD2-CD1 3.95Å; L312-L361 HydrophobicContact CD1-CD1 3.91Å; L312-L361 HydrophobicContact CD1-CD2 3.72Å; L312-F366 HydrophobicContact CB-CD2 4.15Å; L312-F366 HydrophobicContact CB-CE2 4.21Å; L312-F366 HydrophobicContact CD1-CE2 3.95Å; L312-F366 HydrophobicContact CD1-CZ 3.95Å; L312-F366 HydrophobicContact CD2-CE2 3.87Å; L312-F366 HydrophobicContact CG-CE2 4.23Å; L312-F369 HydrophobicContact CB-CD2 4.11Å; L312-F369 HydrophobicContact CB-CE2 4.27Å; L312-F369 HydrophobicContact CD1-CE2 4.06Å
313K94.9Very high90.9Very high69 Ų6959.1 Ų59.130%0.329%0.287SS..Hα-helixtrans-62.9-41.3174.9178.254.6176.1178.80112.6I309 S310 Y311 E315 M316 T367 F369I309-K313 WeakPolarHBondContact O-CB 3.27Å; I309-K313 PolarHBondContact O-N 3.28Å; S310-K313 WeakPolarHBondContact O-CB 3.32Å; S310-K313 PolarHBondContact O-N 2.88Å; Y311-K313 VanDerWaalsContact C-N 3.27Å; Y311-K313 PolarHBondContact O-N 2.88Å; K313-E315 VanDerWaalsContact C-N 3.34Å; K313-M316 PolarHBondContact O-N 2.64Å; K313-T367 PolarHBondContact NZ-O 3.43Å; K313-F369 HydrophobicContact CB-CB 3.87Å; K313-F369 HydrophobicContact CD-CB 4.29Å; K313-F369 WeakPolarHBondContact CD-O 3.27Å; K313-F369 VanDerWaalsContact CE-O 3.24Å; K313-F369 WeakPolarHBondContact CE-O 3.45Å; K313-F369 HydrophobicContact CG-CB 4.41Å; K313-F369 WeakPolarHBondContact CG-O 3.43Å
314Q94.1Very high90.6Very high153 Ų15362.4 Ų62.472%0.71531%0.308SS*.Hα-helixtrans-66.3-36.7-179.8-176.7175.5-3.700112.2S310 Y311 M316S310-Q314 WeakPolarHBondContact O-CB 3.39Å; S310-Q314 PolarHBondContact O-N 3.11Å; Y311-Q314 WeakPolarHBondContact O-CB 3.49Å; Y311-Q314 PolarHBondContact O-N 2.97Å; Y311-Q314 VanDerWaalsContact O-N 3.1Å; Q314-M316 VanDerWaalsContact C-N 3.31Å; Q314-M316 PolarHBondContact O-N 2.85Å
315E93.7Very high90.4Very high69 Ų6965.1 Ų65.132%0.32232%0.32SS..Hα-helixtrans-78.5-11.1178.9-76.6-64.3130.800114.2Y311 L312 K313 K325 L329Y311-E315 HydrophobicContact CD1-CG 4.14Å; Y311-E315 HydrophobicContact CE1-CG 3.67Å; Y311-E315 PolarHBondContact O-N 2.9Å; L312-E315 PolarHBondContact O-N 3.23Å; K313-E315 VanDerWaalsContact C-N 3.34Å; E315-K325 WeakPolarHBondContact O-CE 3.37Å; E315-K325 IonicContact OE2-NZ 2.66Å; E315-K325 PolarHBondContact OE2-NZ 3.07Å; E315-L329 HydrophobicContact CB-CD1 3.87Å; E315-L329 HydrophobicContact CB-CD2 3.79Å; E315-L329 HydrophobicContact CB-CG 4.47Å; E315-L329 HydrophobicContact CG-CD2 4.12Å
316M91.8Very high90.3Very high21 Ų2167 Ų6710%0.10333%0.328CS..SBendtrans-77.3130.6-178.5-80.6-64.7-68.900112.4L312 K313 Q314 K322 K325 L329 F366 T367L312-M316 VanDerWaalsContact O-CG 3.25Å; L312-M316 WeakPolarHBondContact O-CG 3.38Å; L312-M316 PolarHBondContact O-N 3.37Å; K313-M316 PolarHBondContact O-N 2.64Å; Q314-M316 VanDerWaalsContact C-N 3.31Å; Q314-M316 PolarHBondContact O-N 2.85Å; M316-K322 HydrophobicContact CE-CB 3.83Å; M316-K322 HydrophobicContact CE-CG 4.09Å; M316-K325 HydrophobicContact SD-CG 4.46Å; M316-L329 HydrophobicContact CG-CD1 4.48Å; M316-L329 HydrophobicContact SD-CD1 4.16Å; M316-F366 HydrophobicContact CE-CB 3.91Å; M316-F366 HydrophobicContact CG-CB 3.59Å; M316-F366 HydrophobicContact CG-CD2 4.19Å; M316-F366 HydrophobicContact CG-CG 4.44Å; M316-F366 HydrophobicContact SD-CB 3.74Å; M316-F366 HydrophobicContact SD-CD2 3.94Å; M316-F366 HydrophobicContact SD-CG 4.32Å; M316-T367 HydrophobicContact CE-CG2 4.01Å
317P88.9Confident90.1Very high44 Ų4474.1 Ų74.129%0.28636%0.359SS..  trans-72.4144.1178.228.9-35.4000111.7V319 F320 K322 K325P317-V319 PolarHBondContact O-N 3.31Å; P317-F320 VanDerWaalsContact CG-O 3.26Å; P317-F320 WeakPolarHBondContact CG-O 3.43Å; P317-K322 HydrophobicContact CG-CG 4.17Å; P317-K322 WeakPolarHBondContact O-CE 3.49Å; P317-K325 HydrophobicContact CG-CB 4.36Å
318S80Confident90.1Very high109 Ų10977.7 Ų77.776%0.76238%0.375SS*.SBendtrans-68.5-32.1-176.5-54.40000113.9K322S318-K322 WeakPolarHBondContact O-CE 3.35Å; S318-K322 PolarHBondContact O-NZ 2.77Å
319V70.9Confident90Very high100 Ų10077.8 Ų77.861%0.60638%0.376SS*.SBendtrans-127.4-50.6-165.3-165.10000115P317P317-V319 PolarHBondContact O-N 3.31Å
320F76.9Confident89.9Confident167 Ų16778.2 Ų78.273%0.73238%0.378SS*.SBendtrans-125.2158.3-173.1-66.9-77.6000114P317 K322P317-F320 VanDerWaalsContact CG-O 3.26Å; P317-F320 WeakPolarHBondContact CG-O 3.43Å; F320-K322 VanDerWaalsContact C-N 3.35Å; F320-K322 PolarHBondContact O-N 3.33Å
321R79.2Confident89.9Confident211 Ų21185 Ų8580%0.79641%0.408SS*.  trans6031175.6-61.2-176.4178.2178.10.1116.2D323 N324 K325R321-D323 PolarHBondContact O-N 2.84Å; R321-N324 PolarHBondContact O-N 2.84Å; R321-K325 PolarHBondContact O-N 3.01Å; R321-K325 VanDerWaalsContact O-N 3.11Å
322K85.4Confident89.9Confident71 Ų7186.1 Ų86.131%0.30942%0.415SS..Hα-helixtrans-59-43.2-178.7-68.7172.3175.2177.30112.9M316 P317 S318 F320 K325 K326 T367M316-K322 HydrophobicContact CE-CB 3.83Å; M316-K322 HydrophobicContact CE-CG 4.09Å; P317-K322 HydrophobicContact CG-CG 4.17Å; P317-K322 WeakPolarHBondContact O-CE 3.49Å; S318-K322 WeakPolarHBondContact O-CE 3.35Å; S318-K322 PolarHBondContact O-NZ 2.77Å; F320-K322 VanDerWaalsContact C-N 3.35Å; F320-K322 PolarHBondContact O-N 3.33Å; K322-K325 PolarHBondContact O-N 2.86Å; K322-K326 WeakPolarHBondContact O-CB 3.3Å; K322-K326 PolarHBondContact O-N 3.39Å; K322-T367 HydrophobicContact CD-CG2 3.75Å; K322-T367 HydrophobicContact CG-CG2 4.5Å
323D87.1Confident90Very high122 Ų12286.1 Ų86.165%0.65242%0.415SS*.Hα-helixtrans-68.7-41.3-177.2-59.9-45.4000113.1R321 K326 K327R321-D323 PolarHBondContact O-N 2.84Å; D323-K326 PolarHBondContact O-N 3.08Å; D323-K327 WeakPolarHBondContact O-CG 3.46Å; D323-K327 PolarHBondContact O-N 2.79Å
324N90.2Very high90Very high109 Ų10985.9 Ų85.958%0.58342%0.42SS*.Hα-helixtrans-67.1-41.7176.9-72.5-7.3000111.2R321 K327 H328R321-N324 PolarHBondContact O-N 2.84Å; N324-K327 PolarHBondContact O-N 2.82Å; N324-H328 WeakPolarHBondContact O-CB 3.41Å; N324-H328 PolarHBondContact O-N 3.1Å
325K92.9Very high90.1Very high58 Ų5882 Ų8225%0.25241%0.407SS..Hα-helixtrans-65.5-40.2175.4-175.868.8168.6175.90111.3E315 M316 P317 R321 K322 H328 L329E315-K325 WeakPolarHBondContact O-CE 3.37Å; E315-K325 IonicContact OE2-NZ 2.66Å; E315-K325 PolarHBondContact OE2-NZ 3.07Å; M316-K325 HydrophobicContact SD-CG 4.46Å; P317-K325 HydrophobicContact CG-CB 4.36Å; R321-K325 PolarHBondContact O-N 3.01Å; R321-K325 VanDerWaalsContact O-N 3.11Å; K322-K325 PolarHBondContact O-N 2.86Å; K325-H328 WeakPolarHBondContact O-CB 3.24Å; K325-H328 PolarHBondContact O-N 3.12Å; K325-L329 HydrophobicContact CD-CD1 4.46Å; K325-L329 HydrophobicContact CD-CG 4.26Å; K325-L329 HydrophobicContact CG-CD1 4Å; K325-L329 HydrophobicContact CG-CG 4.23Å; K325-L329 WeakPolarHBondContact O-CB 3.47Å; K325-L329 VanDerWaalsContact O-CG 3.28Å; K325-L329 WeakPolarHBondContact O-CG 3.44Å; K325-L329 PolarHBondContact O-N 3.01Å
326K93.8Very high90.3Very high39 Ų3978.8 Ų78.817%0.1739%0.392CS..Hα-helixtrans-56.5-52173.3174.4-179.3168.8-176.80111.2K322 D323 H328 L329 I330 L361 M362 H364 F366K322-K326 WeakPolarHBondContact O-CB 3.3Å; K322-K326 PolarHBondContact O-N 3.39Å; D323-K326 PolarHBondContact O-N 3.08Å; K326-H328 VanDerWaalsContact C-N 3.3Å; K326-H328 PolarHBondContact O-N 3.32Å; K326-L329 PolarHBondContact O-N 3.18Å; K326-I330 HydrophobicContact CG-CD1 3.92Å; K326-I330 WeakPolarHBondContact O-CG1 3.38Å; K326-I330 PolarHBondContact O-N 3.42Å; K326-L361 WeakPolarHBondContact CE-O 3.15Å; K326-M362 PolarHBondContact NZ-O 3.36Å; K326-H364 VanDerWaalsContact CE-O 3.28Å; K326-H364 WeakPolarHBondContact CE-O 3.47Å; K326-H364 PolarHBondContact NZ-O 3.16Å; K326-F366 HydrophobicContact CB-CD2 4.39Å; K326-F366 HydrophobicContact CD-CD1 4.23Å; K326-F366 HydrophobicContact CD-CE1 4.37Å; K326-F366 HydrophobicContact CD-CG 4.5Å; K326-F366 HydrophobicContact CG-CD1 4.23Å; K326-F366 HydrophobicContact CG-CD2 4.11Å; K326-F366 HydrophobicContact CG-CE1 4.14Å; K326-F366 HydrophobicContact CG-CE2 4.01Å; K326-F366 HydrophobicContact CG-CG 4.22Å; K326-F366 HydrophobicContact CG-CZ 4.05Å
327K94.1Very high90.5Very high150 Ų15078.7 Ų78.765%0.65239%0.391SS*.Hα-helixtrans-58.5-42.4178-72.4-179.8-179.8-178.30112D323 N324 I330 H331D323-K327 WeakPolarHBondContact O-CG 3.46Å; D323-K327 PolarHBondContact O-N 2.79Å; N324-K327 PolarHBondContact O-N 2.82Å; K327-I330 PolarHBondContact O-N 3.4Å; K327-H331 PolarHBondContact O-N 3.41Å
328H95.3Very high90.8Very high93 Ų9379.5 Ų79.543%0.43140%0.398SS..Hα-helixtrans-62.4-45.9176.1-172.4-83.4000112.6N324 K325 K326 I330 H331 E332N324-H328 WeakPolarHBondContact O-CB 3.41Å; N324-H328 PolarHBondContact O-N 3.1Å; K325-H328 WeakPolarHBondContact O-CB 3.24Å; K325-H328 PolarHBondContact O-N 3.12Å; K326-H328 VanDerWaalsContact C-N 3.3Å; K326-H328 PolarHBondContact O-N 3.32Å; H328-I330 VanDerWaalsContact C-N 3.33Å; H328-I330 PolarHBondContact O-N 2.89Å; H328-H331 PolarHBondContact O-N 3.47Å; H328-E332 IonicContact CE1-OE1 2.84Å; H328-E332 PolarHBondContact CE1-OE1 3.14Å; H328-E332 IonicContact CE1-OE2 3.58Å; H328-E332 PolarHBondContact CE1-OE2 3.23Å; H328-E332 IonicContact ND1-OE2 2.66Å; H328-E332 PolarHBondContact ND1-OE2 3.44Å; H328-E332 VanDerWaalsContact ND1-OE2 3.13Å; H328-E332 WeakPolarHBondContact O-CB 3.35Å; H328-E332 PolarHBondContact O-N 2.95Å
329L95.3Very high91.6Very high2 Ų278.3 Ų78.31%0.0138%0.379CS..Hα-helixtrans-64.5-37.1178.9-72.6172.9000112.4L312 E315 M316 K325 K326 E332 L333 I336 F366L312-L329 HydrophobicContact CD2-CB 3.89Å; L312-L329 HydrophobicContact CD2-CD1 4.23Å; L312-L329 HydrophobicContact CD2-CD2 4.5Å; L312-L329 HydrophobicContact CD2-CG 4.44Å; E315-L329 HydrophobicContact CB-CD1 3.87Å; E315-L329 HydrophobicContact CB-CD2 3.79Å; E315-L329 HydrophobicContact CB-CG 4.47Å; E315-L329 HydrophobicContact CG-CD2 4.12Å; M316-L329 HydrophobicContact CG-CD1 4.48Å; M316-L329 HydrophobicContact SD-CD1 4.16Å; K325-L329 HydrophobicContact CD-CD1 4.46Å; K325-L329 HydrophobicContact CD-CG 4.26Å; K325-L329 HydrophobicContact CG-CD1 4Å; K325-L329 HydrophobicContact CG-CG 4.23Å; K325-L329 WeakPolarHBondContact O-CB 3.47Å; K325-L329 VanDerWaalsContact O-CG 3.28Å; K325-L329 WeakPolarHBondContact O-CG 3.44Å; K325-L329 PolarHBondContact O-N 3.01Å; K326-L329 PolarHBondContact O-N 3.18Å; L329-E332 CarbonylContact O-C 3.49Å; L329-E332 PolarHBondContact O-N 3.11Å; L329-L333 PolarHBondContact O-N 3.42Å; L329-L333 VanDerWaalsContact O-N 3.1Å; L329-I336 HydrophobicContact CB-CD1 4.48Å; L329-I336 HydrophobicContact CD2-CD1 3.97Å; L329-I336 WeakPolarHBondContact O-CD1 3.24Å; L329-F366 HydrophobicContact CB-CE2 4.17Å; L329-F366 HydrophobicContact CD1-CD2 4.23Å; L329-F366 HydrophobicContact CD1-CE2 4.33Å
330I95.4Very high92.8Very high11 Ų1173.6 Ų73.66%0.05635%0.35CS..Hα-helixtrans-65.3-44.1174-66.9171.1000110K326 K327 H328 E332 L333 Q358 L361 M362 F366K326-I330 HydrophobicContact CG-CD1 3.92Å; K326-I330 WeakPolarHBondContact O-CG1 3.38Å; K326-I330 PolarHBondContact O-N 3.42Å; K327-I330 PolarHBondContact O-N 3.4Å; H328-I330 VanDerWaalsContact C-N 3.33Å; H328-I330 PolarHBondContact O-N 2.89Å; I330-E332 VanDerWaalsContact C-N 3.35Å; I330-E332 PolarHBondContact O-N 3.45Å; I330-L333 WeakPolarHBondContact O-CB 3.25Å; I330-L333 PolarHBondContact O-N 2.81Å; I330-Q358 HydrophobicContact CG2-CB 3.78Å; I330-Q358 HydrophobicContact CG2-CG 3.87Å; I330-Q358 WeakPolarHBondContact O-CG 3.41Å; I330-Q358 PolarHBondContact O-NE2 2.83Å; I330-L361 HydrophobicContact CD1-CB 4.08Å; I330-L361 HydrophobicContact CG1-CB 4.04Å; I330-M362 HydrophobicContact CD1-CG 4.13Å; I330-M362 HydrophobicContact CG2-CE 4.42Å; I330-F366 HydrophobicContact CD1-CZ 4.03Å; I330-F366 HydrophobicContact CG1-CE2 4.32Å; I330-F366 HydrophobicContact CG1-CZ 3.72Å
331H96.1Very high93.6Very high149 Ų14968.7 Ų68.769%0.6933%0.33SS*.Hα-helixtrans-63-40.3176.3179.6-85.9000112.4K327 H328 L333 P334K327-H331 PolarHBondContact O-N 3.41Å; H328-H331 PolarHBondContact O-N 3.47Å; H331-L333 PolarHBondContact O-N 3.01Å; H331-P334 WeakPolarHBondContact O-CD 3.44Å
332E96.5Very high94.3Very high61 Ų6165.6 Ų65.629%0.28533%0.328SS..THydrogen-bonded Turntrans-80.74.5177.4-72.4-164.3138.600114.4H328 L329 I330 P334 V335 I336H328-E332 IonicContact CE1-OE1 2.84Å; H328-E332 PolarHBondContact CE1-OE1 3.14Å; H328-E332 IonicContact CE1-OE2 3.58Å; H328-E332 PolarHBondContact CE1-OE2 3.23Å; H328-E332 IonicContact ND1-OE2 2.66Å; H328-E332 PolarHBondContact ND1-OE2 3.44Å; H328-E332 VanDerWaalsContact ND1-OE2 3.13Å; H328-E332 WeakPolarHBondContact O-CB 3.35Å; H328-E332 PolarHBondContact O-N 2.95Å; L329-E332 CarbonylContact O-C 3.49Å; L329-E332 PolarHBondContact O-N 3.11Å; I330-E332 VanDerWaalsContact C-N 3.35Å; I330-E332 PolarHBondContact O-N 3.45Å; E332-P334 VanDerWaalsContact C-N 3.31Å; E332-V335 WeakPolarHBondContact O-CA 3.37Å; E332-V335 WeakPolarHBondContact O-CB 3.4Å; E332-V335 PolarHBondContact O-N 3.38Å; E332-I336 WeakPolarHBondContact O-CG1 3.47Å; E332-I336 PolarHBondContact O-N 3.45Å
333L96.6Very high94.8Very high0 Ų068.2 Ų68.20%034%0.342CS..Hα-helixtrans-52.2-40.3-176.8-164.470.1000114.1I308 L329 I330 H331 V335 I336 F337 M357 Q358 L361I308-L333 HydrophobicContact CG2-CD1 4.34Å; L329-L333 PolarHBondContact O-N 3.42Å; L329-L333 VanDerWaalsContact O-N 3.1Å; I330-L333 WeakPolarHBondContact O-CB 3.25Å; I330-L333 PolarHBondContact O-N 2.81Å; H331-L333 PolarHBondContact O-N 3.01Å; L333-V335 VanDerWaalsContact C-N 3.29Å; L333-V335 PolarHBondContact O-N 3.18Å; L333-I336 WeakPolarHBondContact O-CB 3.48Å; L333-I336 PolarHBondContact O-N 2.98Å; L333-I336 VanDerWaalsContact O-N 3.16Å; L333-F337 HydrophobicContact CD1-CD1 4.18Å; L333-F337 HydrophobicContact CD1-CE1 3.64Å; L333-F337 HydrophobicContact CD1-CZ 4.4Å; L333-F337 HydrophobicContact CD2-CE1 3.97Å; L333-F337 HydrophobicContact CD2-CZ 3.88Å; L333-F337 HydrophobicContact CG-CD1 4.05Å; L333-F337 HydrophobicContact CG-CE1 3.54Å; L333-F337 HydrophobicContact CG-CZ 3.92Å; L333-F337 WeakPolarHBondContact O-CD1 3.42Å; L333-F337 PolarHBondContact O-N 2.78Å; L333-M357 HydrophobicContact CD2-CB 3.89Å; L333-M357 HydrophobicContact CD2-CG 3.81Å; L333-Q358 HydrophobicContact CB-CG 4.06Å; L333-Q358 HydrophobicContact CD2-CG 3.66Å; L333-L361 HydrophobicContact CD1-CD1 4Å; L333-L361 HydrophobicContact CD2-CD1 3.87Å
334P96.6Very high95Very high64 Ų6466.3 Ų66.342%0.41633%0.329SS..Hα-helixtrans-58.5-40174.2-22.331.7000113.1H331 E332 F337 S338H331-P334 WeakPolarHBondContact O-CD 3.44Å; E332-P334 VanDerWaalsContact C-N 3.31Å; P334-F337 PolarHBondContact O-N 3.27Å; P334-S338 PolarHBondContact O-N 2.84Å; P334-S338 PolarHBondContact O-OG 3.11Å
335V96.6Very high95Very high72 Ų7268.2 Ų68.244%0.43634%0.339SS..Hα-helixtrans-71-37.7177.9-178.20000110.6E332 L333 F337 S338 K339E332-V335 WeakPolarHBondContact O-CA 3.37Å; E332-V335 WeakPolarHBondContact O-CB 3.4Å; E332-V335 PolarHBondContact O-N 3.38Å; L333-V335 VanDerWaalsContact C-N 3.29Å; L333-V335 PolarHBondContact O-N 3.18Å; V335-F337 VanDerWaalsContact C-N 3.33Å; V335-S338 PolarHBondContact O-N 3.14Å; V335-K339 HydrophobicContact CG1-CD 4.48Å; V335-K339 WeakPolarHBondContact O-CG 3.48Å; V335-K339 PolarHBondContact O-N 3Å
336I96.3Very high95Very high1 Ų165.8 Ų65.81%0.00533%0.329CS..Hα-helixtrans-61.8-42.8174.9-64.6173.1000110.3Y311 L312 L329 E332 L333 K339 I340Y311-I336 HydrophobicContact CD1-CB 4.48Å; Y311-I336 HydrophobicContact CD1-CD1 4.22Å; Y311-I336 HydrophobicContact CD1-CG1 4.25Å; Y311-I336 HydrophobicContact CD1-CG2 3.47Å; Y311-I336 VanDerWaalsContact CD1-CG2 3.47Å; Y311-I336 HydrophobicContact CE1-CB 4.33Å; Y311-I336 HydrophobicContact CE1-CD1 3.98Å; Y311-I336 HydrophobicContact CE1-CG1 3.77Å; Y311-I336 HydrophobicContact CE1-CG2 3.76Å; Y311-I336 HydrophobicContact CG-CG2 4.17Å; L312-I336 HydrophobicContact CD2-CD1 3.95Å; L329-I336 HydrophobicContact CB-CD1 4.48Å; L329-I336 HydrophobicContact CD2-CD1 3.97Å; L329-I336 WeakPolarHBondContact O-CD1 3.24Å; E332-I336 WeakPolarHBondContact O-CG1 3.47Å; E332-I336 PolarHBondContact O-N 3.45Å; L333-I336 WeakPolarHBondContact O-CB 3.48Å; L333-I336 PolarHBondContact O-N 2.98Å; L333-I336 VanDerWaalsContact O-N 3.16Å; I336-K339 PolarHBondContact O-N 3.46Å; I336-I340 HydrophobicContact CG2-CD1 3.73Å; I336-I340 HydrophobicContact CG2-CG1 4.3Å; I336-I340 WeakPolarHBondContact O-CG1 3.39Å; I336-I340 PolarHBondContact O-N 3.45Å
337F97.1Very high94.8Very high19 Ų1967.4 Ų67.48%0.08335%0.345CS..Hα-helixtrans-58.6-50176.4-75.610.2000111I308 L333 P334 V335 K339 I340 Q341 F351 P352 C354 M357I308-F337 HydrophobicContact CD1-CD1 4.13Å; I308-F337 HydrophobicContact CD1-CE1 3.4Å; I308-F337 HydrophobicContact CD1-CZ 3.83Å; I308-F337 HydrophobicContact CG1-CD1 4.2Å; I308-F337 HydrophobicContact CG1-CE1 3.78Å; I308-F337 HydrophobicContact CG2-CE1 4.32Å; L333-F337 HydrophobicContact CD1-CD1 4.18Å; L333-F337 HydrophobicContact CD1-CE1 3.64Å; L333-F337 HydrophobicContact CD1-CZ 4.4Å; L333-F337 HydrophobicContact CD2-CE1 3.97Å; L333-F337 HydrophobicContact CD2-CZ 3.88Å; L333-F337 HydrophobicContact CG-CD1 4.05Å; L333-F337 HydrophobicContact CG-CE1 3.54Å; L333-F337 HydrophobicContact CG-CZ 3.92Å; L333-F337 WeakPolarHBondContact O-CD1 3.42Å; L333-F337 PolarHBondContact O-N 2.78Å; P334-F337 PolarHBondContact O-N 3.27Å; V335-F337 VanDerWaalsContact C-N 3.33Å; F337-K339 VanDerWaalsContact C-N 3.3Å; F337-K339 PolarHBondContact O-N 3.49Å; F337-I340 PolarHBondContact O-N 3.48Å; F337-Q341 VanDerWaalsContact O-CB 3.31Å; F337-Q341 WeakPolarHBondContact O-CB 3.29Å; F337-Q341 PolarHBondContact O-N 3.21Å; F337-F351 HydrophobicContact CB-CD1 3.84Å; F337-F351 HydrophobicContact CB-CE1 3.87Å; F337-F351 AromaticContact CD1-CD1 3.88Å; F337-F351 HydrophobicContact CD1-CD1 3.88Å; F337-F351 HydrophobicContact CD1-CE1 4.05Å; F337-F351 HydrophobicContact CD2-CB 4.21Å; F337-F351 AromaticContact CD2-CD1 3.65Å; F337-F351 HydrophobicContact CD2-CD1 3.65Å; F337-F351 HydrophobicContact CD2-CE1 4.46Å; F337-F351 HydrophobicContact CD2-CG 4.26Å; F337-F351 HydrophobicContact CE1-CD1 4.32Å; F337-F351 HydrophobicContact CE2-CB 4.38Å; F337-F351 HydrophobicContact CE2-CD1 4.12Å; F337-F351 AromaticContact CG-CD1 3.52Å; F337-F351 HydrophobicContact CG-CD1 3.52Å; F337-F351 AromaticContact CG-CE1 3.89Å; F337-F351 HydrophobicContact CG-CE1 3.89Å; F337-F351 HydrophobicContact CG-CG 4.47Å; F337-F351 HydrophobicContact CZ-CD1 4.43Å; F337-P352 HydrophobicContact CE2-CG 4.43Å; F337-P352 HydrophobicContact CZ-CG 4.14Å; F337-C354 HydrophobicContact CD2-CB 4.35Å; F337-C354 HydrophobicContact CE2-CB 3.92Å; F337-M357 HydrophobicContact CZ-CB 4.39Å; F337-M357 HydrophobicContact CZ-CG 4.27Å
338S95.7Very high94.5Very high62 Ų6263 Ų6343%0.43434%0.337SS..Hα-helixtrans-60-37.4177.2-54.10000113P334 V335 Q341 L342P334-S338 PolarHBondContact O-N 2.84Å; P334-S338 PolarHBondContact O-OG 3.11Å; V335-S338 PolarHBondContact O-N 3.14Å; S338-Q341 WeakPolarHBondContact O-CB 3.33Å; S338-L342 WeakPolarHBondContact O-CG 3.5Å; S338-L342 PolarHBondContact O-N 3.24Å; S338-L342 VanDerWaalsContact O-N 3.13Å
339K95.7Very high94Very high83 Ų8361.9 Ų61.936%0.36135%0.35SS..Hα-helixtrans-64.8-48.8175.2-75.1174.2179.7172.30111.7V335 I336 F337 Q341 L342 Q343V335-K339 HydrophobicContact CG1-CD 4.48Å; V335-K339 WeakPolarHBondContact O-CG 3.48Å; V335-K339 PolarHBondContact O-N 3Å; I336-K339 PolarHBondContact O-N 3.46Å; F337-K339 VanDerWaalsContact C-N 3.3Å; F337-K339 PolarHBondContact O-N 3.49Å; K339-Q341 VanDerWaalsContact C-N 3.28Å; K339-Q341 PolarHBondContact O-N 3.12Å; K339-L342 PolarHBondContact O-N 2.89Å; K339-Q343 WeakPolarHBondContact O-CB 3.38Å; K339-Q343 VanDerWaalsContact O-CG 3.25Å; K339-Q343 WeakPolarHBondContact O-CG 3.08Å; K339-Q343 PolarHBondContact O-N 3.15Å
340I95.6Very high93.7Very high1 Ų163.2 Ų63.21%0.00536%0.357CS..Hα-helixtrans-61.1-42.3178.2-68.7172.2000109.9H307 I308 I336 F337 L342 Q343 H344 I346 F351H307-I340 HydrophobicContact CB-CD1 4.43Å; H307-I340 HydrophobicContact CB-CG2 3.79Å; I308-I340 HydrophobicContact CB-CD1 4.43Å; I308-I340 HydrophobicContact CG1-CD1 3.87Å; I336-I340 HydrophobicContact CG2-CD1 3.73Å; I336-I340 HydrophobicContact CG2-CG1 4.3Å; I336-I340 WeakPolarHBondContact O-CG1 3.39Å; I336-I340 PolarHBondContact O-N 3.45Å; F337-I340 PolarHBondContact O-N 3.48Å; I340-L342 PolarHBondContact O-N 2.82Å; I340-Q343 PolarHBondContact O-N 3.37Å; I340-H344 WeakPolarHBondContact O-CB 3.43Å; I340-H344 PolarHBondContact O-N 2.84Å; I340-I346 HydrophobicContact CG2-CD1 4.29Å; I340-F351 HydrophobicContact CB-CE1 4.24Å; I340-F351 HydrophobicContact CB-CZ 4.09Å; I340-F351 HydrophobicContact CG2-CE1 4.08Å; I340-F351 HydrophobicContact CG2-CZ 3.78Å
341Q94.6Very high93.6Very high65 Ų6564 Ų6430%0.30436%0.361SS..Hα-helixtrans-55.7-51.6178.4-166.2-169.6-1100111.5F337 S338 K339 N345 I346 F351F337-Q341 VanDerWaalsContact O-CB 3.31Å; F337-Q341 WeakPolarHBondContact O-CB 3.29Å; F337-Q341 PolarHBondContact O-N 3.21Å; S338-Q341 WeakPolarHBondContact O-CB 3.33Å; K339-Q341 VanDerWaalsContact C-N 3.28Å; K339-Q341 PolarHBondContact O-N 3.12Å; Q341-N345 VanDerWaalsContact O-CA 3.31Å; Q341-N345 WeakPolarHBondContact O-CA 3.43Å; Q341-N345 PolarHBondContact O-N 2.98Å; Q341-I346 WeakPolarHBondContact CG-O 3.48Å; Q341-I346 PolarHBondContact O-N 2.76Å; Q341-I346 VanDerWaalsContact O-N 3.1Å; Q341-F351 HydrophobicContact CB-CE2 4.01Å; Q341-F351 HydrophobicContact CB-CZ 4.09Å; Q341-F351 HydrophobicContact CG-CE2 4.16Å
342L94.4Very high93.3Very high146 Ų14658.1 Ų58.176%0.76434%0.335SS*.Hα-helixtrans-69.2-43.1-179.9-70.9170.5000112.6S338 K339 I340 H344S338-L342 WeakPolarHBondContact O-CG 3.5Å; S338-L342 PolarHBondContact O-N 3.24Å; S338-L342 VanDerWaalsContact O-N 3.13Å; K339-L342 PolarHBondContact O-N 2.89Å; I340-L342 PolarHBondContact O-N 2.82Å; L342-H344 PolarHBondContact O-N 3.47Å
343Q94.2Very high92.9Very high126 Ų12660.2 Ų60.259%0.58935%0.349SS*.Hα-helixtrans-69.4-34.2-175.8-74.3177.7-9.700113.1K339 I340K339-Q343 WeakPolarHBondContact O-CB 3.38Å; K339-Q343 VanDerWaalsContact O-CG 3.25Å; K339-Q343 WeakPolarHBondContact O-CG 3.08Å; K339-Q343 PolarHBondContact O-N 3.15Å; I340-Q343 PolarHBondContact O-N 3.37Å
344H91.4Very high92.7Very high81 Ų8161.7 Ų61.738%0.37536%0.358SS..Hα-helixtrans-110.75.4-174.7-63.1-65.8000113.6H307 I340 L342 I346H307-H344 AromaticContact CE1-CD2 3.84Å; H307-H344 AromaticContact CE1-CE1 3.54Å; H307-H344 AromaticContact CE1-CG 3.73Å; H307-H344 AromaticContact CE1-ND1 3.54Å; H307-H344 AromaticContact CE1-NE2 3.71Å; H307-H344 AromaticContact ND1-CD2 3.55Å; H307-H344 AromaticContact ND1-CE1 3.63Å; H307-H344 AromaticContact ND1-CG 3.91Å; H307-H344 AromaticContact ND1-ND1 3.96Å; H307-H344 AromaticContact ND1-NE2 3.33Å; H307-H344 PolarHBondContact ND1-NE2 3.08Å; I340-H344 WeakPolarHBondContact O-CB 3.43Å; I340-H344 PolarHBondContact O-N 2.84Å; L342-H344 PolarHBondContact O-N 3.47Å; H344-I346 HydrophobicContact CB-CD1 3.8Å; H344-I346 HydrophobicContact CB-CG1 3.85Å; H344-I346 PolarHBondContact O-N 3.29Å
345N91.3Very high92.4Very high150 Ų15061.4 Ų61.480%0.80236%0.362SS*.THydrogen-bonded Turntrans50.853.5-179-16640.1000112.6Q341Q341-N345 VanDerWaalsContact O-CA 3.31Å; Q341-N345 WeakPolarHBondContact O-CA 3.43Å; Q341-N345 PolarHBondContact O-N 2.98Å
346I92.3Very high92Very high6 Ų662.9 Ų62.93%0.03136%0.362CS..  trans-101.9146.3-179.3-55.6178.4000109.4V304 I340 Q341 H344 D350 F351V304-I346 HydrophobicContact CG2-CD1 4.06Å; V304-I346 HydrophobicContact CG2-CG2 3.64Å; I340-I346 HydrophobicContact CG2-CD1 4.29Å; Q341-I346 WeakPolarHBondContact CG-O 3.48Å; Q341-I346 PolarHBondContact O-N 2.76Å; Q341-I346 VanDerWaalsContact O-N 3.1Å; H344-I346 HydrophobicContact CB-CD1 3.8Å; H344-I346 HydrophobicContact CB-CG1 3.85Å; H344-I346 PolarHBondContact O-N 3.29Å; I346-D350 HydrophobicContact CG2-CB 3.83Å; I346-F351 HydrophobicContact CB-CE2 4.11Å; I346-F351 HydrophobicContact CG2-CD2 4.47Å; I346-F351 HydrophobicContact CG2-CE2 3.88Å
347S90.7Very high91.9Very high73 Ų7362.9 Ų62.951%0.5136%0.362SS..  trans-70.4142.2173.8-177.50000110.7G349 D350 F351S347-G349 PolarHBondContact O-N 3.27Å; S347-G349 PolarHBondContact OG-N 3.15Å; S347-D350 PolarHBondContact O-N 3.49Å; S347-D350 VanDerWaalsContact O-N 3.09Å; S347-F351 WeakPolarHBondContact O-CD2 3.43Å
348A87.8Confident91.8Very high59 Ų5964.3 Ų64.349%0.48837%0.369SS..G310 helixtrans-57.5-31.5172.800000112.1D350 F351A348-D350 PolarHBondContact O-N 3.42Å; A348-F351 PolarHBondContact O-N 3.32Å
349G84.8Confident91.7Very high69 Ų6968.2 Ų68.271%0.71138%0.381SS*.G310 helixtrans-70.1-13.5178.600000115S347 F351S347-G349 PolarHBondContact O-N 3.27Å; S347-G349 PolarHBondContact OG-N 3.15Å; G349-F351 VanDerWaalsContact C-N 3.32Å
350D89.1Confident91.5Very high29 Ų2966.5 Ų66.516%0.15537%0.374CS..G310 helixtrans-83.2-10.9175.3-68.1-13.6000112.1R300 R303 V304 I346 S347 A348R300-D350 HydrophobicContact CB-CB 4.43Å; R300-D350 WeakPolarHBondContact CD-OD1 3.27Å; R303-D350 IonicContact NH2-OD2 2.83Å; R303-D350 PolarHBondContact NH2-OD2 3.03Å; R303-D350 VanDerWaalsContact NH2-OD2 3.08Å; V304-D350 HydrophobicContact CG2-CB 3.87Å; I346-D350 HydrophobicContact CG2-CB 3.83Å; S347-D350 PolarHBondContact O-N 3.49Å; S347-D350 VanDerWaalsContact O-N 3.09Å; A348-D350 PolarHBondContact O-N 3.42Å
351F92.2Very high91.5Very high29 Ų2966.4 Ų66.413%0.12737%0.373CS..SBendtrans-82.4143.7-178-76.1-102000112.1V304 I308 F337 I340 Q341 I346 S347 A348 G349V304-F351 HydrophobicContact CG1-CB 4.48Å; V304-F351 HydrophobicContact CG1-CD1 3.48Å; V304-F351 VanDerWaalsContact CG1-CD1 3.48Å; V304-F351 HydrophobicContact CG1-CD2 4.32Å; V304-F351 HydrophobicContact CG1-CE1 3.65Å; V304-F351 HydrophobicContact CG1-CE2 4.46Å; V304-F351 HydrophobicContact CG1-CG 3.85Å; V304-F351 HydrophobicContact CG1-CZ 4.16Å; V304-F351 HydrophobicContact CG2-CE2 4.48Å; I308-F351 HydrophobicContact CD1-CD1 4.33Å; F337-F351 HydrophobicContact CB-CD1 3.84Å; F337-F351 HydrophobicContact CB-CE1 3.87Å; F337-F351 AromaticContact CD1-CD1 3.88Å; F337-F351 HydrophobicContact CD1-CD1 3.88Å; F337-F351 HydrophobicContact CD1-CE1 4.05Å; F337-F351 HydrophobicContact CD2-CB 4.21Å; F337-F351 AromaticContact CD2-CD1 3.65Å; F337-F351 HydrophobicContact CD2-CD1 3.65Å; F337-F351 HydrophobicContact CD2-CE1 4.46Å; F337-F351 HydrophobicContact CD2-CG 4.26Å; F337-F351 HydrophobicContact CE1-CD1 4.32Å; F337-F351 HydrophobicContact CE2-CB 4.38Å; F337-F351 HydrophobicContact CE2-CD1 4.12Å; F337-F351 AromaticContact CG-CD1 3.52Å; F337-F351 HydrophobicContact CG-CD1 3.52Å; F337-F351 AromaticContact CG-CE1 3.89Å; F337-F351 HydrophobicContact CG-CE1 3.89Å; F337-F351 HydrophobicContact CG-CG 4.47Å; F337-F351 HydrophobicContact CZ-CD1 4.43Å; I340-F351 HydrophobicContact CB-CE1 4.24Å; I340-F351 HydrophobicContact CB-CZ 4.09Å; I340-F351 HydrophobicContact CG2-CE1 4.08Å; I340-F351 HydrophobicContact CG2-CZ 3.78Å; Q341-F351 HydrophobicContact CB-CE2 4.01Å; Q341-F351 HydrophobicContact CB-CZ 4.09Å; Q341-F351 HydrophobicContact CG-CE2 4.16Å; I346-F351 HydrophobicContact CB-CE2 4.11Å; I346-F351 HydrophobicContact CG2-CD2 4.47Å; I346-F351 HydrophobicContact CG2-CE2 3.88Å; S347-F351 WeakPolarHBondContact O-CD2 3.43Å; A348-F351 PolarHBondContact O-N 3.32Å; G349-F351 VanDerWaalsContact C-N 3.32Å
352P90.8Very high91.4Very high25 Ų2569.3 Ų69.316%0.16239%0.388CS..PPolyproline II helixtrans-69.8165.2173.931.4-35.7000111.5L301 I308 F337 C354 M357L301-P352 HydrophobicContact CD1-CB 4.28Å; I308-P352 HydrophobicContact CD1-CG 4.29Å; F337-P352 HydrophobicContact CE2-CG 4.43Å; F337-P352 HydrophobicContact CZ-CG 4.14Å; P352-C354 PolarHBondContact O-N 3.46Å; P352-M357 HydrophobicContact CG-SD 4.48Å
353D88.5Confident91.3Very high105 Ų10566.7 Ų66.756%0.56139%0.388SS*.PPolyproline II helixtrans-56122.9170.3179.8-95.1000110.7A355 K356 M357D353-A355 PolarHBondContact OD1-N 3.21Å; D353-A355 VanDerWaalsContact OD1-N 3.17Å; D353-K356 HydrophobicContact CB-CB 4.09Å; D353-K356 WeakPolarHBondContact OD1-CB 3.31Å; D353-K356 PolarHBondContact OD1-N 3.02Å; D353-M357 WeakPolarHBondContact O-CB 3.42Å; D353-M357 PolarHBondContact O-N 3.28Å
354C91.8Very high91.3Very high30 Ų3062.8 Ų62.820%0.20337%0.369CS..Hα-helixtrans-67.2-41-172.2-171.60000111.7F337 P352 M357 Q358F337-C354 HydrophobicContact CD2-CB 4.35Å; F337-C354 HydrophobicContact CE2-CB 3.92Å; P352-C354 PolarHBondContact O-N 3.46Å; C354-M357 PolarHBondContact O-N 2.85Å; C354-Q358 VanDerWaalsContact O-CG 3.27Å; C354-Q358 WeakPolarHBondContact O-CG 3.45Å; C354-Q358 PolarHBondContact O-N 3.03Å
355A90.2Very high91.3Very high59 Ų5962.1 Ų62.149%0.48837%0.369SS..Hα-helixtrans-65.1-45.1-178.900000111.3D353 M357 Q358 E359D353-A355 PolarHBondContact OD1-N 3.21Å; D353-A355 VanDerWaalsContact OD1-N 3.17Å; A355-M357 VanDerWaalsContact C-N 3.34Å; A355-M357 PolarHBondContact O-N 3.25Å; A355-Q358 WeakPolarHBondContact O-CB 3.41Å; A355-Q358 PolarHBondContact O-N 3.27Å; A355-E359 PolarHBondContact O-N 3.41Å
356K88Confident91.4Very high103 Ų10355 Ų5545%0.44833%0.331SS..Hα-helixtrans-61.6-42.4174.9-171.5176.9180-175.50111.7D353 E359 Q360D353-K356 HydrophobicContact CB-CB 4.09Å; D353-K356 WeakPolarHBondContact OD1-CB 3.31Å; D353-K356 PolarHBondContact OD1-N 3.02Å; K356-E359 PolarHBondContact O-N 3.33Å; K356-Q360 WeakPolarHBondContact O-CG 3.18Å; K356-Q360 PolarHBondContact O-N 2.58Å
357M93.8Very high91.2Very high1 Ų156.9 Ų56.91%0.00534%0.342CS..Hα-helixtrans-64.7-40.1176.6-168.468.7-179.700111.5F43 I308 I309 L333 F337 P352 D353 C354 A355 Q360 L361F43-M357 HydrophobicContact CD1-CE 3.64Å; F43-M357 HydrophobicContact CD1-SD 3.67Å; F43-M357 HydrophobicContact CE1-CE 3.89Å; F43-M357 HydrophobicContact CE1-SD 4.33Å; F43-M357 HydrophobicContact CG-CE 4.27Å; F43-M357 HydrophobicContact CG-SD 4.42Å; I308-M357 HydrophobicContact CG2-CE 4.01Å; I309-M357 HydrophobicContact CD1-CE 4.31Å; L333-M357 HydrophobicContact CD2-CB 3.89Å; L333-M357 HydrophobicContact CD2-CG 3.81Å; F337-M357 HydrophobicContact CZ-CB 4.39Å; F337-M357 HydrophobicContact CZ-CG 4.27Å; P352-M357 HydrophobicContact CG-SD 4.48Å; D353-M357 WeakPolarHBondContact O-CB 3.42Å; D353-M357 PolarHBondContact O-N 3.28Å; C354-M357 PolarHBondContact O-N 2.85Å; A355-M357 VanDerWaalsContact C-N 3.34Å; A355-M357 PolarHBondContact O-N 3.25Å; M357-Q360 PolarHBondContact O-N 3.39Å; M357-L361 HydrophobicContact CE-CD1 4.32Å; M357-L361 HydrophobicContact CE-CD2 4.2Å; M357-L361 HydrophobicContact CE-CG 4.23Å; M357-L361 HydrophobicContact CG-CD1 3.93Å; M357-L361 HydrophobicContact CG-CG 4.32Å; M357-L361 VanDerWaalsContact O-CB 3.29Å; M357-L361 WeakPolarHBondContact O-CB 3.46Å; M357-L361 WeakPolarHBondContact O-CD1 3.29Å; M357-L361 WeakPolarHBondContact O-CG 3.47Å; M357-L361 PolarHBondContact O-N 3.46Å
358Q95.1Very high91.3Very high49 Ų4960.7 Ų60.723%0.22935%0.35CS..Hα-helixtrans-59.2-46.8175.4-75.3175.9-38.100111.7I330 L333 C354 A355 L361 M362I330-Q358 HydrophobicContact CG2-CB 3.78Å; I330-Q358 HydrophobicContact CG2-CG 3.87Å; I330-Q358 WeakPolarHBondContact O-CG 3.41Å; I330-Q358 PolarHBondContact O-NE2 2.83Å; L333-Q358 HydrophobicContact CB-CG 4.06Å; L333-Q358 HydrophobicContact CD2-CG 3.66Å; C354-Q358 VanDerWaalsContact O-CG 3.27Å; C354-Q358 WeakPolarHBondContact O-CG 3.45Å; C354-Q358 PolarHBondContact O-N 3.03Å; A355-Q358 WeakPolarHBondContact O-CB 3.41Å; A355-Q358 PolarHBondContact O-N 3.27Å; Q358-L361 PolarHBondContact O-N 2.86Å; Q358-M362 WeakPolarHBondContact O-CG 3.48Å; Q358-M362 PolarHBondContact O-N 2.5Å
359E92.9Very high91.6Very high144 Ų14458.9 Ų58.967%0.67333%0.331SS*.Hα-helixtrans-59-51.5177.1-175.1-177.7-176.600111.3A355 K356 L361 M362A355-E359 PolarHBondContact O-N 3.41Å; K356-E359 PolarHBondContact O-N 3.33Å; E359-L361 VanDerWaalsContact C-N 3.33Å; E359-L361 PolarHBondContact O-N 3.19Å; E359-M362 WeakPolarHBondContact O-CB 3.37Å; E359-M362 PolarHBondContact O-N 3.17Å; E359-M362 VanDerWaalsContact O-N 3.09Å
360Q92.1Very high92.1Very high46 Ų4660.2 Ų60.222%0.21532%0.317CS..Hα-helixtrans-62-40179.9-70.8178.3-25.600112.3F43 K356 M357 M362 A363 H364F43-Q360 HydrophobicContact CD1-CB 3.82Å; F43-Q360 HydrophobicContact CE1-CB 4.13Å; F43-Q360 VanDerWaalsContact O-CD 3.27Å; F43-Q360 PolarHBondContact O-NE2 3.18Å; F43-Q360 PolarHBondContact O-OE1 3.41Å; K356-Q360 WeakPolarHBondContact O-CG 3.18Å; K356-Q360 PolarHBondContact O-N 2.58Å; M357-Q360 PolarHBondContact O-N 3.39Å; Q360-M362 PolarHBondContact O-N 2.74Å; Q360-A363 PolarHBondContact O-N 3.12Å; Q360-H364 PolarHBondContact O-ND1 3.47Å
361L95.2Very high92.3Very high0 Ų062.2 Ų62.20%033%0.334CS..Hα-helixtrans-63.2-25.1177.2-76.3169.9000112.9F43 I309 L312 K326 I330 L333 M357 Q358 E359 A363 H364 F366 F369F43-L361 HydrophobicContact CE1-CD2 3.6Å; F43-L361 HydrophobicContact CE1-CG 3.96Å; F43-L361 HydrophobicContact CZ-CD2 3.94Å; I309-L361 HydrophobicContact CD1-CD2 4.37Å; L312-L361 HydrophobicContact CD1-CD1 3.91Å; L312-L361 HydrophobicContact CD1-CD2 3.72Å; K326-L361 WeakPolarHBondContact CE-O 3.15Å; I330-L361 HydrophobicContact CD1-CB 4.08Å; I330-L361 HydrophobicContact CG1-CB 4.04Å; L333-L361 HydrophobicContact CD1-CD1 4Å; L333-L361 HydrophobicContact CD2-CD1 3.87Å; M357-L361 HydrophobicContact CE-CD1 4.32Å; M357-L361 HydrophobicContact CE-CD2 4.2Å; M357-L361 HydrophobicContact CE-CG 4.23Å; M357-L361 HydrophobicContact CG-CD1 3.93Å; M357-L361 HydrophobicContact CG-CG 4.32Å; M357-L361 VanDerWaalsContact O-CB 3.29Å; M357-L361 WeakPolarHBondContact O-CB 3.46Å; M357-L361 WeakPolarHBondContact O-CD1 3.29Å; M357-L361 WeakPolarHBondContact O-CG 3.47Å; M357-L361 PolarHBondContact O-N 3.46Å; Q358-L361 PolarHBondContact O-N 2.86Å; E359-L361 VanDerWaalsContact C-N 3.33Å; E359-L361 PolarHBondContact O-N 3.19Å; L361-A363 VanDerWaalsContact C-N 3.25Å; L361-A363 PolarHBondContact O-N 3.46Å; L361-H364 PolarHBondContact O-N 2.91Å; L361-F366 HydrophobicContact CB-CE1 3.96Å; L361-F366 HydrophobicContact CB-CZ 3.96Å; L361-F366 HydrophobicContact CD1-CZ 4.35Å; L361-F366 HydrophobicContact CD2-CE1 3.64Å; L361-F366 HydrophobicContact CD2-CZ 3.81Å; L361-F366 HydrophobicContact CG-CE1 4.35Å; L361-F366 HydrophobicContact CG-CZ 4.26Å; L361-F366 WeakPolarHBondContact O-CE1 3.39Å; L361-F369 HydrophobicContact CD2-CE2 4Å; L361-F369 HydrophobicContact CD2-CZ 3.84Å
362M93.3Very high92.4Very high125 Ų12564.1 Ų64.162%0.61634%0.344SS*.Hα-helixtrans-62-34.7176.1-63.3-163.9-172.900112.1K326 I330 Q358 E359 Q360 H364K326-M362 PolarHBondContact NZ-O 3.36Å; I330-M362 HydrophobicContact CD1-CG 4.13Å; I330-M362 HydrophobicContact CG2-CE 4.42Å; Q358-M362 WeakPolarHBondContact O-CG 3.48Å; Q358-M362 PolarHBondContact O-N 2.5Å; E359-M362 WeakPolarHBondContact O-CB 3.37Å; E359-M362 PolarHBondContact O-N 3.17Å; E359-M362 VanDerWaalsContact O-N 3.09Å; Q360-M362 PolarHBondContact O-N 2.74Å; M362-H364 VanDerWaalsContact C-N 3.29Å; M362-H364 PolarHBondContact O-N 3.27Å
363A92.4Very high92.6Very high91 Ų9167.2 Ų67.275%0.75236%0.355SS*.THydrogen-bonded Turntrans-76.5-12.3-179.800000114Q360 L361Q360-A363 PolarHBondContact O-N 3.12Å; L361-A363 VanDerWaalsContact C-N 3.25Å; L361-A363 PolarHBondContact O-N 3.46Å
364H93.2Very high92.9Very high44 Ų4466.6 Ų66.620%0.20436%0.357CS..SBendtrans-104.2147.2-169.9-71.484.7000114D42 F43 K326 Q360 L361 M362 F369D42-H364 WeakPolarHBondContact CB-NE2 3.31Å; F43-H364 AromaticContact CE1-ND1 3.83Å; F43-H364 AromaticContact CE2-CD2 3.95Å; F43-H364 AromaticContact CE2-CE1 3.98Å; F43-H364 AromaticContact CE2-NE2 3.8Å; F43-H364 HydrophobicContact CZ-CB 4.25Å; F43-H364 AromaticContact CZ-CD2 3.8Å; F43-H364 AromaticContact CZ-CE1 3.7Å; F43-H364 AromaticContact CZ-CG 3.61Å; F43-H364 AromaticContact CZ-ND1 3.55Å; F43-H364 AromaticContact CZ-NE2 3.87Å; K326-H364 VanDerWaalsContact CE-O 3.28Å; K326-H364 WeakPolarHBondContact CE-O 3.47Å; K326-H364 PolarHBondContact NZ-O 3.16Å; Q360-H364 PolarHBondContact O-ND1 3.47Å; L361-H364 PolarHBondContact O-N 2.91Å; M362-H364 VanDerWaalsContact C-N 3.29Å; M362-H364 PolarHBondContact O-N 3.27Å; H364-F369 HydrophobicContact CB-CE1 3.93Å; H364-F369 HydrophobicContact CB-CZ 3.86Å
365D91.4Very high93.1Very high68 Ų6872 Ų7236%0.36438%0.384SS..  trans-90.8107.9174.1177.41.2000110.8T367 K368D365-T367 PolarHBondContact O-N 3.14Å; D365-T367 VanDerWaalsContact O-N 3.14Å; D365-T367 WeakPolarHBondContact OD1-CB 3.29Å; D365-T367 WeakPolarHBondContact OD1-CG2 3.39Å; D365-T367 PolarHBondContact OD1-N 2.75Å; D365-T367 PolarHBondContact OD1-OG1 3.14Å; D365-T367 PolarHBondContact OD2-OG1 2.79Å; D365-T367 VanDerWaalsContact OD2-OG1 3.06Å; D365-K368 HydrophobicContact CB-CD 4.15Å; D365-K368 HydrophobicContact CB-CG 4.25Å; D365-K368 WeakPolarHBondContact O-CB 3.43Å; D365-K368 PolarHBondContact O-N 3.4Å; D365-K368 WeakPolarHBondContact OD2-CE 3.46Å
366F93.6Very high93.3Very high1 Ų171 Ų710%0.00437%0.37CS..THydrogen-bonded Turntrans-66.5-17.3-176.4-70.517.8000112.8L312 M316 K326 L329 I330 L361 K368 F369L312-F366 HydrophobicContact CB-CD2 4.15Å; L312-F366 HydrophobicContact CB-CE2 4.21Å; L312-F366 HydrophobicContact CD1-CE2 3.95Å; L312-F366 HydrophobicContact CD1-CZ 3.95Å; L312-F366 HydrophobicContact CD2-CE2 3.87Å; L312-F366 HydrophobicContact CG-CE2 4.23Å; M316-F366 HydrophobicContact CE-CB 3.91Å; M316-F366 HydrophobicContact CG-CB 3.59Å; M316-F366 HydrophobicContact CG-CD2 4.19Å; M316-F366 HydrophobicContact CG-CG 4.44Å; M316-F366 HydrophobicContact SD-CB 3.74Å; M316-F366 HydrophobicContact SD-CD2 3.94Å; M316-F366 HydrophobicContact SD-CG 4.32Å; K326-F366 HydrophobicContact CB-CD2 4.39Å; K326-F366 HydrophobicContact CD-CD1 4.23Å; K326-F366 HydrophobicContact CD-CE1 4.37Å; K326-F366 HydrophobicContact CD-CG 4.5Å; K326-F366 HydrophobicContact CG-CD1 4.23Å; K326-F366 HydrophobicContact CG-CD2 4.11Å; K326-F366 HydrophobicContact CG-CE1 4.14Å; K326-F366 HydrophobicContact CG-CE2 4.01Å; K326-F366 HydrophobicContact CG-CG 4.22Å; K326-F366 HydrophobicContact CG-CZ 4.05Å; L329-F366 HydrophobicContact CB-CE2 4.17Å; L329-F366 HydrophobicContact CD1-CD2 4.23Å; L329-F366 HydrophobicContact CD1-CE2 4.33Å; I330-F366 HydrophobicContact CD1-CZ 4.03Å; I330-F366 HydrophobicContact CG1-CE2 4.32Å; I330-F366 HydrophobicContact CG1-CZ 3.72Å; L361-F366 HydrophobicContact CB-CE1 3.96Å; L361-F366 HydrophobicContact CB-CZ 3.96Å; L361-F366 HydrophobicContact CD1-CZ 4.35Å; L361-F366 HydrophobicContact CD2-CE1 3.64Å; L361-F366 HydrophobicContact CD2-CZ 3.81Å; L361-F366 HydrophobicContact CG-CE1 4.35Å; L361-F366 HydrophobicContact CG-CZ 4.26Å; L361-F366 WeakPolarHBondContact O-CE1 3.39Å; F366-K368 PolarHBondContact O-N 2.95Å; F366-F369 HydrophobicContact CB-CD2 3.91Å; F366-F369 HydrophobicContact CB-CE2 4.01Å; F366-F369 AromaticContact CD1-CD2 3.96Å; F366-F369 HydrophobicContact CD1-CD2 3.96Å; F366-F369 AromaticContact CD1-CE2 3.15Å; F366-F369 HydrophobicContact CD1-CE2 3.15Å; F366-F369 AromaticContact CD1-CZ 3.49Å; F366-F369 HydrophobicContact CD1-CZ 3.49Å; F366-F369 VanDerWaalsContact CD1-CZ 3.49Å; F366-F369 HydrophobicContact CD2-CE2 4.2Å; F366-F369 AromaticContact CE1-CE2 3.54Å; F366-F369 HydrophobicContact CE1-CE2 3.54Å; F366-F369 AromaticContact CE1-CZ 3.79Å; F366-F369 HydrophobicContact CE1-CZ 3.79Å; F366-F369 AromaticContact CG-CD2 3.91Å; F366-F369 HydrophobicContact CG-CD2 3.91Å; F366-F369 AromaticContact CG-CE2 3.52Å; F366-F369 HydrophobicContact CG-CE2 3.52Å; F366-F369 HydrophobicContact CG-CZ 4.28Å; F366-F369 HydrophobicContact CZ-CE2 4.21Å; F366-F369 WeakPolarHBondContact O-CB 3.41Å; F366-F369 PolarHBondContact O-N 3.27Å
367T89Confident93.7Very high45 Ų4566.8 Ų66.828%0.27635%0.352SS..THydrogen-bonded Turntrans-70.1-26.4175.171.10000112.2K313 M316 K322 D365K313-T367 PolarHBondContact NZ-O 3.43Å; M316-T367 HydrophobicContact CE-CG2 4.01Å; K322-T367 HydrophobicContact CD-CG2 3.75Å; K322-T367 HydrophobicContact CG-CG2 4.5Å; D365-T367 PolarHBondContact O-N 3.14Å; D365-T367 VanDerWaalsContact O-N 3.14Å; D365-T367 WeakPolarHBondContact OD1-CB 3.29Å; D365-T367 WeakPolarHBondContact OD1-CG2 3.39Å; D365-T367 PolarHBondContact OD1-N 2.75Å; D365-T367 PolarHBondContact OD1-OG1 3.14Å; D365-T367 PolarHBondContact OD2-OG1 2.79Å; D365-T367 VanDerWaalsContact OD2-OG1 3.06Å
368K91.9Very high93.7Very high152 Ų15269.3 Ų69.366%0.66137%0.374SS*.SBendtrans-83-13.9178-63.4-179-175.2175.90113.2D365 F366D365-K368 HydrophobicContact CB-CD 4.15Å; D365-K368 HydrophobicContact CB-CG 4.25Å; D365-K368 WeakPolarHBondContact O-CB 3.43Å; D365-K368 PolarHBondContact O-N 3.4Å; D365-K368 WeakPolarHBondContact OD2-CE 3.46Å; F366-K368 PolarHBondContact O-N 2.95Å
369F94.9Very high93.8Very high21 Ų2168.1 Ų68.19%0.09237%0.372CS..PPolyproline II helixtrans-58.1153.4175.3-68.9-13000111.8F43 I309 L312 K313 L361 H364 F366F43-F369 HydrophobicContact CZ-CE1 4.33Å; F43-F369 HydrophobicContact CZ-CZ 4.14Å; I309-F369 HydrophobicContact CD1-CD2 4.37Å; I309-F369 HydrophobicContact CD1-CE1 4.24Å; I309-F369 HydrophobicContact CD1-CE2 3.97Å; I309-F369 HydrophobicContact CD1-CZ 3.91Å; I309-F369 HydrophobicContact CG2-CB 3.79Å; I309-F369 HydrophobicContact CG2-CD1 4.11Å; I309-F369 HydrophobicContact CG2-CD2 4.11Å; I309-F369 HydrophobicContact CG2-CG 3.77Å; L312-F369 HydrophobicContact CB-CD2 4.11Å; L312-F369 HydrophobicContact CB-CE2 4.27Å; L312-F369 HydrophobicContact CD1-CE2 4.06Å; K313-F369 HydrophobicContact CB-CB 3.87Å; K313-F369 HydrophobicContact CD-CB 4.29Å; K313-F369 WeakPolarHBondContact CD-O 3.27Å; K313-F369 VanDerWaalsContact CE-O 3.24Å; K313-F369 WeakPolarHBondContact CE-O 3.45Å; K313-F369 HydrophobicContact CG-CB 4.41Å; K313-F369 WeakPolarHBondContact CG-O 3.43Å; L361-F369 HydrophobicContact CD2-CE2 4Å; L361-F369 HydrophobicContact CD2-CZ 3.84Å; H364-F369 HydrophobicContact CB-CE1 3.93Å; H364-F369 HydrophobicContact CB-CZ 3.86Å; F366-F369 HydrophobicContact CB-CD2 3.91Å; F366-F369 HydrophobicContact CB-CE2 4.01Å; F366-F369 AromaticContact CD1-CD2 3.96Å; F366-F369 HydrophobicContact CD1-CD2 3.96Å; F366-F369 AromaticContact CD1-CE2 3.15Å; F366-F369 HydrophobicContact CD1-CE2 3.15Å; F366-F369 AromaticContact CD1-CZ 3.49Å; F366-F369 HydrophobicContact CD1-CZ 3.49Å; F366-F369 VanDerWaalsContact CD1-CZ 3.49Å; F366-F369 HydrophobicContact CD2-CE2 4.2Å; F366-F369 AromaticContact CE1-CE2 3.54Å; F366-F369 HydrophobicContact CE1-CE2 3.54Å; F366-F369 AromaticContact CE1-CZ 3.79Å; F366-F369 HydrophobicContact CE1-CZ 3.79Å; F366-F369 AromaticContact CG-CD2 3.91Å; F366-F369 HydrophobicContact CG-CD2 3.91Å; F366-F369 AromaticContact CG-CE2 3.52Å; F366-F369 HydrophobicContact CG-CE2 3.52Å; F366-F369 HydrophobicContact CG-CZ 4.28Å; F366-F369 HydrophobicContact CZ-CE2 4.21Å; F366-F369 WeakPolarHBondContact O-CB 3.41Å; F366-F369 PolarHBondContact O-N 3.27Å
370K94.1Very high93.9Very high97 Ų9761.3 Ų61.342%0.42234%0.34SS..PPolyproline II helixtrans-99.5144.5-174.8-56-53.1-177.8-172.90110.4Y37 Y38Y37-K370 HydrophobicContact CD1-CB 4.1Å; Y37-K370 HydrophobicContact CD1-CG 4.37Å; Y37-K370 HydrophobicContact CD2-CG 4.48Å; Y37-K370 HydrophobicContact CE1-CB 3.43Å; Y37-K370 VanDerWaalsContact CE1-CB 3.43Å; Y37-K370 HydrophobicContact CE1-CG 3.99Å; Y37-K370 HydrophobicContact CE2-CB 4.3Å; Y37-K370 HydrophobicContact CE2-CD 4.38Å; Y37-K370 HydrophobicContact CE2-CG 4.07Å; Y37-K370 VanDerWaalsContact O-CG 3.27Å; Y37-K370 WeakPolarHBondContact O-CG 3.39Å; Y38-K370 HydrophobicContact CD1-CB 4.24Å; Y38-K370 HydrophobicContact CE1-CB 4.25Å
371S94.3Very high94Very high72 Ų7262.8 Ų62.850%0.50335%0.35SS..PPolyproline II helixtrans-72.6158.7169.756.40000110.6K373S371-K373 PolarHBondContact O-N 2.99Å
372L93.6Very high94Very high68 Ų6867 Ų6736%0.35637%0.37SS..PPolyproline II helixtrans-58.6129.4179-161.872.9000110.4Y38 S310 P374 M377Y38-L372 WeakPolarHBondContact OH-CA 3.45Å; S310-L372 VanDerWaalsContact OG-CA 3.31Å; S310-L372 WeakPolarHBondContact OG-CA 3.5Å; S310-L372 WeakPolarHBondContact OG-CD1 3.4Å; S310-L372 PolarHBondContact OG-N 3.4Å; L372-P374 WeakPolarHBondContact O-CD 3.37Å; L372-M377 HydrophobicContact CD1-CG 3.96Å; L372-M377 HydrophobicContact CD1-SD 4.08Å; L372-M377 HydrophobicContact CG-CG 4.24Å
373K96.1Very high94.1Very high90 Ų9061.1 Ų61.139%0.39134%0.34SS..  trans-103.8103.9173.4-92-171.6175.1171.80110.5Y37 Y38 S371 N375 L376 M377Y37-K373 HydrophobicContact CD1-CD 4.16Å; Y37-K373 HydrophobicContact CD2-CD 4.18Å; Y37-K373 HydrophobicContact CE1-CB 4.17Å; Y37-K373 HydrophobicContact CE1-CD 3.65Å; Y37-K373 HydrophobicContact CE1-CG 3.76Å; Y37-K373 HydrophobicContact CE2-CD 3.7Å; Y37-K373 HydrophobicContact CG-CD 4.39Å; Y37-K373 VanDerWaalsContact OH-CE 3.29Å; Y37-K373 WeakPolarHBondContact OH-CE 3.22Å; Y38-K373 PolarHBondContact OH-N 3.48Å; S371-K373 PolarHBondContact O-N 2.99Å; K373-N375 VanDerWaalsContact C-N 3.29Å; K373-N375 PolarHBondContact O-N 3.41Å; K373-L376 HydrophobicContact CB-CB 4.26Å; K373-L376 HydrophobicContact CB-CD1 4.04Å; K373-L376 HydrophobicContact CB-CG 4.12Å; K373-L376 HydrophobicContact CD-CD1 3.77Å; K373-L376 HydrophobicContact CD-CG 4.26Å; K373-L376 PolarHBondContact O-N 2.99Å; K373-L376 VanDerWaalsContact O-N 3.15Å; K373-M377 PolarHBondContact O-N 3.29Å
374P94.8Very high94.1Very high93 Ų9359 Ų5960%0.60432%0.317SS*.Hα-helixtrans-56.5-39.8-177.2-27.235.5000113.6L372 L376 M377 A378L372-P374 WeakPolarHBondContact O-CD 3.37Å; P374-L376 VanDerWaalsContact C-N 3.31Å; P374-L376 PolarHBondContact O-N 2.85Å; P374-M377 PolarHBondContact O-N 3.05Å; P374-A378 WeakPolarHBondContact O-CB 3.22Å; P374-A378 PolarHBondContact O-N 3Å
375N95.6Very high94Very high142 Ų14261.1 Ų61.176%0.75934%0.336SS*.Hα-helixtrans-63.6-35.2-178.6-62-1.4000113.1K373 A379K373-N375 VanDerWaalsContact C-N 3.29Å; K373-N375 PolarHBondContact O-N 3.41Å; N375-A379 PolarHBondContact O-N 3.24Å
376L95.1Very high94.1Very high39 Ų3959.9 Ų59.920%0.20433%0.333CS..Hα-helixtrans-73.5-41177.2-66.3-178.9000110.5P33 L34 Y37 K373 P374 A379 L380P33-L376 HydrophobicContact CB-CD2 4.15Å; L34-L376 HydrophobicContact CD1-CB 3.87Å; L34-L376 WeakPolarHBondContact CD1-O 3.33Å; L34-L376 HydrophobicContact CG-CB 4.2Å; Y37-L376 HydrophobicContact CD1-CD1 4.03Å; Y37-L376 HydrophobicContact CG-CD1 3.95Å; K373-L376 HydrophobicContact CB-CB 4.26Å; K373-L376 HydrophobicContact CB-CD1 4.04Å; K373-L376 HydrophobicContact CB-CG 4.12Å; K373-L376 HydrophobicContact CD-CD1 3.77Å; K373-L376 HydrophobicContact CD-CG 4.26Å; K373-L376 PolarHBondContact O-N 2.99Å; K373-L376 VanDerWaalsContact O-N 3.15Å; P374-L376 VanDerWaalsContact C-N 3.31Å; P374-L376 PolarHBondContact O-N 2.85Å; L376-A379 PolarHBondContact O-N 2.91Å; L376-L380 PolarHBondContact O-N 2.89Å; L376-L380 VanDerWaalsContact O-N 3.14Å
377M95.1Very high94.1Very high14 Ų1460.7 Ų60.77%0.06934%0.337CS..Hα-helixtrans-62.7-43.6175.7-61.6-58.1-63.100111.5L34 R303 A306 H307 L372 K373 P374 A379 L380 D381L34-M377 HydrophobicContact CD1-SD 3.96Å; R303-M377 HydrophobicContact CG-CE 3.73Å; A306-M377 HydrophobicContact CB-SD 4.01Å; H307-M377 VanDerWaalsContact NE2-CE 3.32Å; H307-M377 WeakPolarHBondContact NE2-CE 3.25Å; L372-M377 HydrophobicContact CD1-CG 3.96Å; L372-M377 HydrophobicContact CD1-SD 4.08Å; L372-M377 HydrophobicContact CG-CG 4.24Å; K373-M377 PolarHBondContact O-N 3.29Å; P374-M377 PolarHBondContact O-N 3.05Å; M377-A379 VanDerWaalsContact C-N 3.28Å; M377-A379 PolarHBondContact O-N 3.45Å; M377-L380 CarbonylContact O-C 3.55Å; M377-L380 WeakPolarHBondContact O-CA 3.36Å; M377-L380 WeakPolarHBondContact O-CB 3.3Å; M377-L380 PolarHBondContact O-N 2.75Å; M377-D381 PolarHBondContact O-N 3.44Å
378A95.1Very high94.2Very high55 Ų5559.5 Ų59.546%0.45533%0.329SS..Hα-helixtrans-60.1-37.3176.700000112.4P374 L380 D381 E382P374-A378 WeakPolarHBondContact O-CB 3.22Å; P374-A378 PolarHBondContact O-N 3Å; A378-L380 VanDerWaalsContact C-N 3.35Å; A378-D381 PolarHBondContact O-N 3.4Å; A378-E382 WeakPolarHBondContact O-CB 3.48Å; A378-E382 PolarHBondContact O-N 3.2Å
379A96.1Very high94.1Very high24 Ų2455 Ų5520%0.19832%0.32CS..Hα-helixtrans-65.8-37.9174.100000112K30 N375 L376 M377 L383K30-A379 HydrophobicContact CB-CB 4.43Å; K30-A379 WeakPolarHBondContact CD-O 3.43Å; K30-A379 HydrophobicContact CG-CB 4.45Å; N375-A379 PolarHBondContact O-N 3.24Å; L376-A379 PolarHBondContact O-N 2.91Å; M377-A379 VanDerWaalsContact C-N 3.28Å; M377-A379 PolarHBondContact O-N 3.45Å; A379-L383 WeakPolarHBondContact O-CB 3.45Å; A379-L383 PolarHBondContact O-N 3.46Å
380L95.4Very high93.9Very high0 Ų059.7 Ų59.70%034%0.34CS..Hα-helixtrans-67.9-40.1174.8-177.158.7000112.2L31 L34 A299 R303 L376 M377 A378 L383 L384L31-L380 HydrophobicContact CD1-CD1 3.54Å; L34-L380 HydrophobicContact CD1-CB 4.07Å; L34-L380 HydrophobicContact CD1-CD2 4.03Å; A299-L380 HydrophobicContact CB-CD1 3.77Å; R303-L380 HydrophobicContact CB-CD2 3.6Å; R303-L380 HydrophobicContact CG-CD2 4.13Å; L376-L380 PolarHBondContact O-N 2.89Å; L376-L380 VanDerWaalsContact O-N 3.14Å; M377-L380 CarbonylContact O-C 3.55Å; M377-L380 WeakPolarHBondContact O-CA 3.36Å; M377-L380 WeakPolarHBondContact O-CB 3.3Å; M377-L380 PolarHBondContact O-N 2.75Å; A378-L380 VanDerWaalsContact C-N 3.35Å; L380-L383 HydrophobicContact CD1-CD2 4.06Å; L380-L383 WeakPolarHBondContact O-CB 3.45Å; L380-L383 PolarHBondContact O-N 2.9Å; L380-L384 HydrophobicContact CG-CD1 4.48Å; L380-L384 WeakPolarHBondContact O-CG 3.45Å; L380-L384 PolarHBondContact O-N 3.42Å; L380-L384 VanDerWaalsContact O-N 3.08Å
381D93.8Very high93.5Very high78 Ų7855.5 Ų55.542%0.41732%0.322SS..Hα-helixtrans-65.9-40.5176.2-65.6-30.8000110.8M377 A378 L383 L384 S385M377-D381 PolarHBondContact O-N 3.44Å; A378-D381 PolarHBondContact O-N 3.4Å; D381-L383 VanDerWaalsContact C-N 3.34Å; D381-L384 PolarHBondContact O-N 2.92Å; D381-S385 VanDerWaalsContact O-CB 3.24Å; D381-S385 WeakPolarHBondContact O-CB 3.46Å; D381-S385 PolarHBondContact O-N 3.14Å; D381-S385 PolarHBondContact O-OG 3.33Å
382E95.7Very high93.2Very high89 Ų8955.4 Ų55.442%0.41632%0.315SS..Hα-helixtrans-63.4-39.5174-166.4-170.1170.200111.9K30 A378 S386 D387K30-E382 IonicContact NZ-OE1 3.99Å; K30-E382 PolarHBondContact NZ-OE1 3.31Å; K30-E382 IonicContact NZ-OE2 3.61Å; K30-E382 PolarHBondContact NZ-OE2 3.13Å; A378-E382 WeakPolarHBondContact O-CB 3.48Å; A378-E382 PolarHBondContact O-N 3.2Å; E382-S386 PolarHBondContact O-N 3.23Å; E382-D387 PolarHBondContact O-N 3.39Å; E382-D387 VanDerWaalsContact O-N 3.08Å
383L94.8Very high92.9Very high0 Ų055.3 Ų55.30%032%0.318CS..Iπ-helixtrans-56.1-52.1173.9174.166.9000110.8L26 K30 L31 A299 A379 L380 D381 D387 I388L26-L383 HydrophobicContact CB-CD1 3.69Å; L26-L383 HydrophobicContact CD1-CD1 3.8Å; L26-L383 HydrophobicContact CD2-CD1 3.96Å; L26-L383 HydrophobicContact CG-CD1 4.02Å; K30-L383 HydrophobicContact CB-CB 4.36Å; K30-L383 HydrophobicContact CD-CB 4.17Å; L31-L383 HydrophobicContact CB-CD2 4.43Å; A299-L383 HydrophobicContact CB-CD2 4.39Å; A379-L383 WeakPolarHBondContact O-CB 3.45Å; A379-L383 PolarHBondContact O-N 3.46Å; L380-L383 HydrophobicContact CD1-CD2 4.06Å; L380-L383 WeakPolarHBondContact O-CB 3.45Å; L380-L383 PolarHBondContact O-N 2.9Å; D381-L383 VanDerWaalsContact C-N 3.34Å; L383-D387 HydrophobicContact CD1-CB 4.39Å; L383-I388 HydrophobicContact CD1-CG1 4.48Å; L383-I388 HydrophobicContact CG-CD1 4.35Å; L383-I388 WeakPolarHBondContact O-CD1 3.35Å; L383-I388 WeakPolarHBondContact O-CG1 3.49Å; L383-I388 PolarHBondContact O-N 3.07Å; L383-I388 VanDerWaalsContact O-N 3.15Å
384L92.6Very high92.4Very high48 Ų4854.3 Ų54.325%0.25132%0.317SS..Iπ-helixtrans-74.2-32-175.2-69175.5000113.8V296 A299 L380 D381 I388V296-L384 HydrophobicContact CG1-CD2 4.2Å; A299-L384 HydrophobicContact CB-CD2 3.85Å; A299-L384 HydrophobicContact CB-CG 4.38Å; L380-L384 HydrophobicContact CG-CD1 4.48Å; L380-L384 WeakPolarHBondContact O-CG 3.45Å; L380-L384 PolarHBondContact O-N 3.42Å; L380-L384 VanDerWaalsContact O-N 3.08Å; D381-L384 PolarHBondContact O-N 2.92Å; L384-I388 HydrophobicContact CD2-CD1 3.96Å
385S91.8Very high92Very high88 Ų8850 Ų5062%0.61529%0.289SS*.Iπ-helixtrans-94.8-32.2-174.361.20000114.4D381D381-S385 VanDerWaalsContact O-CB 3.24Å; D381-S385 WeakPolarHBondContact O-CB 3.46Å; D381-S385 PolarHBondContact O-N 3.14Å; D381-S385 PolarHBondContact O-OG 3.33Å
386S92.9Very high91.5Very high42 Ų4250.1 Ų50.129%0.29428%0.278SS..Iπ-helixtrans-123.2-50-171-169.50000113.2E382 A389 K390E382-S386 PolarHBondContact O-N 3.23Å; S386-A389 WeakPolarHBondContact O-CB 3.41Å; S386-A389 PolarHBondContact O-N 3.42Å; S386-K390 WeakPolarHBondContact O-CG 3.4Å; S386-K390 PolarHBondContact O-N 3.48Å; S386-K390 VanDerWaalsContact O-N 3.12Å; S386-K390 VanDerWaalsContact OG-CE 3.26Å; S386-K390 WeakPolarHBondContact OG-CE 3.45Å; S386-K390 PolarHBondContact OG-NZ 3.39Å
387D93.1Very high90.9Very high18 Ų1853.1 Ų53.110%0.09629%0.291CS..Iπ-helixtrans-70.3-41.3-170.4-63.9-36.5000112.6L26 K30 E382 L383 A389 K390 L391L26-D387 HydrophobicContact CD1-CB 3.95Å; L26-D387 HydrophobicContact CD2-CB 3.71Å; K30-D387 WeakPolarHBondContact CD-OD2 3.5Å; K30-D387 WeakPolarHBondContact CE-OD2 3.37Å; K30-D387 IonicContact NZ-OD1 3.6Å; K30-D387 IonicContact NZ-OD2 3.52Å; K30-D387 PolarHBondContact NZ-OD2 2.84Å; E382-D387 PolarHBondContact O-N 3.39Å; E382-D387 VanDerWaalsContact O-N 3.08Å; L383-D387 HydrophobicContact CD1-CB 4.39Å; D387-A389 VanDerWaalsContact C-N 3.29Å; D387-A389 PolarHBondContact O-N 3.27Å; D387-K390 WeakPolarHBondContact O-CB 3.27Å; D387-K390 PolarHBondContact O-N 3.11Å; D387-K390 VanDerWaalsContact O-N 3.15Å; D387-K390 IonicContact OD1-NZ 3.85Å; D387-K390 PolarHBondContact OD1-NZ 3.09Å; D387-L391 PolarHBondContact O-N 3.35Å
388I90.8Very high90.1Very high20 Ų2054.8 Ų54.810%0.10330%0.299CS..Hα-helixtrans-60.8-41.9174.1-73.5163000110.8L292 V296 L383 L384 K390 L391 M392L292-I388 HydrophobicContact CD1-CB 4.4Å; L292-I388 HydrophobicContact CD1-CG1 3.93Å; L292-I388 HydrophobicContact CD1-CG2 3.85Å; L292-I388 HydrophobicContact CD2-CG2 4.41Å; V296-I388 HydrophobicContact CG2-CD1 3.45Å; V296-I388 VanDerWaalsContact CG2-CD1 3.45Å; V296-I388 HydrophobicContact CG2-CG1 4.48Å; L383-I388 HydrophobicContact CD1-CG1 4.48Å; L383-I388 HydrophobicContact CG-CD1 4.35Å; L383-I388 WeakPolarHBondContact O-CD1 3.35Å; L383-I388 WeakPolarHBondContact O-CG1 3.49Å; L383-I388 PolarHBondContact O-N 3.07Å; L383-I388 VanDerWaalsContact O-N 3.15Å; L384-I388 HydrophobicContact CD2-CD1 3.96Å; I388-K390 PolarHBondContact O-N 3.03Å; I388-L391 WeakPolarHBondContact O-CB 3.28Å; I388-L391 PolarHBondContact O-N 3.5Å; I388-M392 PolarHBondContact O-N 2.82Å
389A90.1Very high89.3Confident57 Ų5754.9 Ų54.947%0.47129%0.29SS..Hα-helixtrans-60.8-33177.100000112.5S386 D387 L391 M392 P393S386-A389 WeakPolarHBondContact O-CB 3.41Å; S386-A389 PolarHBondContact O-N 3.42Å; D387-A389 VanDerWaalsContact C-N 3.29Å; D387-A389 PolarHBondContact O-N 3.27Å; A389-L391 VanDerWaalsContact C-N 3.32Å; A389-M392 PolarHBondContact O-N 2.92Å; A389-P393 VanDerWaalsContact O-CD 3.29Å; A389-P393 WeakPolarHBondContact O-CD 3.33Å
390K90.3Very high88.3Confident120 Ų12060.1 Ų60.152%0.52231%0.314SS..Hα-helixtrans-72.2-23.5174.6-65.7167.3-164.8153.60113.2S386 D387 I388 P393S386-K390 WeakPolarHBondContact O-CG 3.4Å; S386-K390 PolarHBondContact O-N 3.48Å; S386-K390 VanDerWaalsContact O-N 3.12Å; S386-K390 VanDerWaalsContact OG-CE 3.26Å; S386-K390 WeakPolarHBondContact OG-CE 3.45Å; S386-K390 PolarHBondContact OG-NZ 3.39Å; D387-K390 WeakPolarHBondContact O-CB 3.27Å; D387-K390 PolarHBondContact O-N 3.11Å; D387-K390 VanDerWaalsContact O-N 3.15Å; D387-K390 IonicContact OD1-NZ 3.85Å; D387-K390 PolarHBondContact OD1-NZ 3.09Å; I388-K390 PolarHBondContact O-N 3.03Å; K390-P393 WeakPolarHBondContact O-CD 3.44Å
391L87.6Confident87.3Confident8 Ų865.2 Ų65.24%0.04234%0.338CS..Hα-helixtrans-81-25.1175.2-66.7-179.4000112.5L23 L26 D387 I388 A389 L394 L395L23-L391 HydrophobicContact CD2-CD1 3.79Å; L23-L391 HydrophobicContact CG-CD1 4.32Å; L26-L391 HydrophobicContact CD1-CD1 3.62Å; L26-L391 HydrophobicContact CD1-CG 4.42Å; D387-L391 PolarHBondContact O-N 3.35Å; I388-L391 WeakPolarHBondContact O-CB 3.28Å; I388-L391 PolarHBondContact O-N 3.5Å; A389-L391 VanDerWaalsContact C-N 3.32Å; L391-L394 HydrophobicContact CD2-CD1 4.41Å; L391-L394 PolarHBondContact O-N 3.23Å; L391-L394 VanDerWaalsContact O-N 3.12Å; L391-L395 WeakPolarHBondContact O-CB 3.45Å; L391-L395 PolarHBondContact O-N 2.84Å
392M86.8Confident85.9Confident71 Ų7162.5 Ų62.535%0.3533%0.326SS..Hα-helixtrans-58.7-38.7-177.6-64.4-56.4-6100115L292 I388 A389 L395 R396L292-M392 HydrophobicContact CD2-SD 3.64Å; I388-M392 PolarHBondContact O-N 2.82Å; A389-M392 PolarHBondContact O-N 2.92Å; M392-L395 HydrophobicContact CE-CD2 4.33Å; M392-L395 HydrophobicContact SD-CD2 4.32Å; M392-R396 WeakPolarHBondContact O-CG 3.41Å; M392-R396 PolarHBondContact O-N 3.07Å; M392-R396 VanDerWaalsContact O-N 3.09Å; M392-R396 PolarHBondContact O-NE 3.45Å
393P88.2Confident84.2Confident66 Ų6660 Ų6043%0.42932%0.324SS..Hα-helixtrans-64.9-42.4172.8-22.234000112.8A389 K390 L395 R396 Q397A389-P393 VanDerWaalsContact O-CD 3.29Å; A389-P393 WeakPolarHBondContact O-CD 3.33Å; K390-P393 WeakPolarHBondContact O-CD 3.44Å; P393-L395 VanDerWaalsContact C-N 3.34Å; P393-R396 PolarHBondContact O-N 3.44Å; P393-Q397 PolarHBondContact O-N 3Å
394L85.3Confident82.2Confident69 Ų6967.2 Ų67.236%0.36136%0.363SS..Hα-helixtrans-65.2-39.9177.4-68.4176.2000111.3V19 L391 Q397 E398V19-L394 HydrophobicContact CG2-CB 3.95Å; L391-L394 HydrophobicContact CD2-CD1 4.41Å; L391-L394 PolarHBondContact O-N 3.23Å; L391-L394 VanDerWaalsContact O-N 3.12Å; L394-Q397 WeakPolarHBondContact O-CB 3.26Å; L394-Q397 PolarHBondContact O-N 3.43Å; L394-E398 PolarHBondContact O-N 3.45Å
395L85.1Confident80.6Confident2 Ų271.1 Ų71.11%0.0138%0.38CS..Hα-helixtrans-61.7-46.1175.9-177.368.4000111.8V19 A288 L289 L292 L391 M392 P393 Q397 E398 E399V19-L395 HydrophobicContact CG1-CD1 4.24Å; V19-L395 HydrophobicContact CG2-CB 4.13Å; V19-L395 HydrophobicContact CG2-CD1 4.39Å; A288-L395 HydrophobicContact CB-CD1 3.52Å; L289-L395 HydrophobicContact CB-CD1 4.34Å; L289-L395 HydrophobicContact CB-CD2 3.99Å; L289-L395 HydrophobicContact CD1-CD2 3.54Å; L289-L395 HydrophobicContact CG-CD2 4.33Å; L292-L395 HydrophobicContact CD2-CD2 3.99Å; L391-L395 WeakPolarHBondContact O-CB 3.45Å; L391-L395 PolarHBondContact O-N 2.84Å; M392-L395 HydrophobicContact CE-CD2 4.33Å; M392-L395 HydrophobicContact SD-CD2 4.32Å; P393-L395 VanDerWaalsContact C-N 3.34Å; L395-Q397 VanDerWaalsContact C-N 3.26Å; L395-Q397 PolarHBondContact O-N 3.44Å; L395-E398 PolarHBondContact O-N 3Å; L395-E399 WeakPolarHBondContact O-CB 3.1Å; L395-E399 VanDerWaalsContact O-CG 3.31Å; L395-E399 WeakPolarHBondContact O-CG 3.34Å; L395-E399 PolarHBondContact O-N 3.21Å
396R85.1Confident78.9Confident144 Ų14470.7 Ų70.754%0.54338%0.375SS..Hα-helixtrans-62.4-35.4175.5-74.1-178.5-69.3172.9-0.1112.3M392 P393 L400M392-R396 WeakPolarHBondContact O-CG 3.41Å; M392-R396 PolarHBondContact O-N 3.07Å; M392-R396 VanDerWaalsContact O-N 3.09Å; M392-R396 PolarHBondContact O-NE 3.45Å; P393-R396 PolarHBondContact O-N 3.44Å; R396-L400 VanDerWaalsContact O-CG 3.27Å; R396-L400 WeakPolarHBondContact O-CG 3.32Å; R396-L400 PolarHBondContact O-N 2.98Å; R396-L400 VanDerWaalsContact O-N 3.07Å
397Q82.8Confident78Confident102 Ų10269.1 Ų69.148%0.47737%0.365SS..Hα-helixtrans-68.2-46.5175.4-173.3-179.7-14.400111.3P393 L394 L395 E399 L400 E401P393-Q397 PolarHBondContact O-N 3Å; L394-Q397 WeakPolarHBondContact O-CB 3.26Å; L394-Q397 PolarHBondContact O-N 3.43Å; L395-Q397 VanDerWaalsContact C-N 3.26Å; L395-Q397 PolarHBondContact O-N 3.44Å; Q397-E399 VanDerWaalsContact C-N 3.3Å; Q397-E399 PolarHBondContact O-N 3.13Å; Q397-L400 PolarHBondContact O-N 2.97Å; Q397-E401 WeakPolarHBondContact CG-OE1 3.24Å; Q397-E401 PolarHBondContact NE2-OE1 2.77Å; Q397-E401 WeakPolarHBondContact O-CB 3.09Å; Q397-E401 WeakPolarHBondContact O-CG 3.34Å; Q397-E401 PolarHBondContact O-N 3.21Å
398E79.4Confident77.4Confident49 Ų4968.2 Ų68.223%0.22936%0.361CS..Hα-helixtrans-61-37.8174.1-76.8-174.8-175.500111.9T18 V19 L394 L395 E401 A402T18-E398 WeakPolarHBondContact CA-OE1 3.31Å; T18-E398 WeakPolarHBondContact CB-OE1 3.45Å; V19-E398 WeakPolarHBondContact CB-OE2 3.45Å; V19-E398 HydrophobicContact CG2-CG 4.39Å; V19-E398 WeakPolarHBondContact CG2-OE2 3.28Å; V19-E398 PolarHBondContact N-OE1 3.49Å; L394-E398 PolarHBondContact O-N 3.45Å; L395-E398 PolarHBondContact O-N 3Å; E398-E401 PolarHBondContact O-N 3.07Å; E398-A402 WeakPolarHBondContact O-CB 3.44Å; E398-A402 PolarHBondContact O-N 2.93Å
399E76.9Confident76.8Confident58 Ų5871.2 Ų71.227%0.27137%0.374SS..Hα-helixtrans-64.9-39175.7-77.6172.5166.300112.2L395 Q397 G403L395-E399 WeakPolarHBondContact O-CB 3.1Å; L395-E399 VanDerWaalsContact O-CG 3.31Å; L395-E399 WeakPolarHBondContact O-CG 3.34Å; L395-E399 PolarHBondContact O-N 3.21Å; Q397-E399 VanDerWaalsContact C-N 3.3Å; Q397-E399 PolarHBondContact O-N 3.13Å; E399-G403 PolarHBondContact O-N 2.68Å
400L76.6Confident76.2Confident133 Ų13368.6 Ų68.670%0.69635%0.352SS*.Hα-helixtrans-68.3-46.1174.7-72.1166.3000111.2R396 Q397 A402 G403R396-L400 VanDerWaalsContact O-CG 3.27Å; R396-L400 WeakPolarHBondContact O-CG 3.32Å; R396-L400 PolarHBondContact O-N 2.98Å; R396-L400 VanDerWaalsContact O-N 3.07Å; Q397-L400 PolarHBondContact O-N 2.97Å; L400-A402 VanDerWaalsContact C-N 3.29Å; L400-A402 PolarHBondContact O-N 3.37Å; L400-G403 PolarHBondContact O-N 2.81Å; L400-G403 VanDerWaalsContact O-N 3.14Å
401E73.3Confident75.7Confident107 Ų10763.3 Ų63.350%0.533%0.332SS..Hα-helixtrans-63.8-34176.2-70.2173.8-168.600112Q397 E398Q397-E401 WeakPolarHBondContact CG-OE1 3.24Å; Q397-E401 PolarHBondContact NE2-OE1 2.77Å; Q397-E401 WeakPolarHBondContact O-CB 3.09Å; Q397-E401 WeakPolarHBondContact O-CG 3.34Å; Q397-E401 PolarHBondContact O-N 3.21Å; E398-E401 PolarHBondContact O-N 3.07Å
402A65.3Low75.3Confident21 Ų2163.3 Ų63.317%0.17433%0.333CS..Hα-helixtrans-80.1-20.6174.400000113.3R285 E398 L400 D404 Q405R285-A402 HydrophobicContact CG-CB 4.37Å; R285-A402 PolarHBondContact NE-O 3.35Å; R285-A402 VanDerWaalsContact NE-O 3.11Å; E398-A402 WeakPolarHBondContact O-CB 3.44Å; E398-A402 PolarHBondContact O-N 2.93Å; L400-A402 VanDerWaalsContact C-N 3.29Å; L400-A402 PolarHBondContact O-N 3.37Å; A402-D404 PolarHBondContact O-N 2.94Å; A402-Q405 PolarHBondContact O-N 2.99Å
403G59.5Low75Confident36 Ų3660.3 Ų60.337%0.37132%0.318SS..Hα-helixtrans-61.8-34.4171.500000112R285 E399 L400R285-G403 PolarHBondContact NH2-O 3.13Å; E399-G403 PolarHBondContact O-N 2.68Å; L400-G403 PolarHBondContact O-N 2.81Å; L400-G403 VanDerWaalsContact O-N 3.14Å
404D53.9Low73.8Confident152 Ų15262.7 Ų62.781%0.81333%0.327SS*.SBendtrans-80.5-17.5175.6-73.3-15.3000113.2A402A402-D404 PolarHBondContact O-N 2.94Å
405Q57.3Low72.3Confident130 Ų13062 Ų6261%0.60734%0.337SS*.SBendtrans-86.4136.8174-67-175.94.300110.7R285 A402 G407R285-Q405 PolarHBondContact NE-O 3.19Å; R285-Q405 PolarHBondContact NH2-O 3.29Å; A402-Q405 PolarHBondContact O-N 2.99Å; Q405-G407 PolarHBondContact O-N 3.41Å
406P57.2Low70.7Confident80 Ų8063.8 Ų63.852%0.51935%0.348SS..  trans-70.6128.2177.31.314000108.3Q409P406-Q409 HydrophobicContact CB-CG 3.75Å; P406-Q409 HydrophobicContact CG-CG 4.43Å; P406-Q409 PolarHBondContact O-NE2 3.26Å
407G74.8Confident68.9Low8 Ų867.4 Ų67.48%0.08236%0.362CS..SBendtrans-61.5-116.5-173.200000114.3S146 Q405 Q409S146-G407 PolarHBondContact OG-O 2.92Å; S146-G407 VanDerWaalsContact OG-O 3.04Å; Q405-G407 PolarHBondContact O-N 3.41Å; G407-Q409 PolarHBondContact O-N 3.47Å
408V80.4Confident67.2Low0 Ų066.3 Ų66.30%037%0.369CS..SBendtrans-68.1131.7164.2-177.30000108.8V143 I147 Q281 P284 F413V143-V408 HydrophobicContact CB-CG1 4.17Å; V143-V408 HydrophobicContact CG1-CG1 3.73Å; V143-V408 HydrophobicContact CG2-CG1 4.22Å; I147-V408 HydrophobicContact CD1-CG2 4.3Å; I147-V408 HydrophobicContact CG1-CG2 4.31Å; I147-V408 HydrophobicContact CG2-CG2 3.76Å; Q281-V408 HydrophobicContact CB-CB 4.33Å; Q281-V408 HydrophobicContact CG-CB 4.06Å; Q281-V408 WeakPolarHBondContact CG-O 3.47Å; Q281-V408 PolarHBondContact NE2-O 3.35Å; Q281-V408 PolarHBondContact O-N 3.1Å; Q281-V408 VanDerWaalsContact O-N 3.15Å; P284-V408 HydrophobicContact CG-CG2 4.01Å; V408-F413 HydrophobicContact CG1-CD2 3.68Å; V408-F413 HydrophobicContact CG1-CE2 3.71Å; V408-F413 HydrophobicContact CG1-CG 4.15Å; V408-F413 HydrophobicContact CG1-CZ 4.2Å
409Q77.5Confident65.6Low82 Ų8265.7 Ų65.738%0.38338%0.377SS..  trans-120.7154.1-178.1-66.5-179.437.900110.7Q142 V143 P406 G407Q142-Q409 CarbonylContact C-O 3.29Å; Q142-Q409 WeakPolarHBondContact CB-O 3.3Å; V143-Q409 WeakPolarHBondContact CA-O 3.5Å; V143-Q409 WeakPolarHBondContact CG2-O 3.35Å; V143-Q409 PolarHBondContact N-O 3.09Å; P406-Q409 HydrophobicContact CB-CG 3.75Å; P406-Q409 HydrophobicContact CG-CG 4.43Å; P406-Q409 PolarHBondContact O-NE2 3.26Å; G407-Q409 PolarHBondContact O-N 3.47Å
410G76.3Confident63.9Low2 Ų268.7 Ų68.72%0.02140%0.401CS..SBendtrans76.4178.8178.500000114.1V143 F413V143-G410 WeakPolarHBondContact CG2-O 3.37Å; G410-F413 WeakPolarHBondContact O-CD2 3.39Å; G410-F413 PolarHBondContact O-N 3.27Å
411G81.2Confident62.3Low10 Ų1070.8 Ų70.810%0.10341%0.405CS..G310 helixtrans56.3-147.9-175.900000112.6E78 F413 L414E78-G411 VanDerWaalsContact CD-C 3.44Å; G411-F413 PolarHBondContact O-N 2.97Å; G411-L414 PolarHBondContact O-N 3.23Å; G411-L414 VanDerWaalsContact O-N 3.11Å
412A79.8Confident61.1Low7 Ų770.6 Ų70.66%0.05841%0.411CS..G310 helixtrans-63.8-13.6-176.200000113.8Y75 L76 E78 F277 L414 G415Y75-A412 WeakPolarHBondContact O-CB 3.4Å; L76-A412 PolarHBondContact O-N 2.96Å; L76-A412 VanDerWaalsContact O-N 3.14Å; E78-A412 HydrophobicContact CG-CB 4.38Å; E78-A412 WeakPolarHBondContact OE1-CA 3.47Å; F277-A412 HydrophobicContact CD2-CB 4.46Å; F277-A412 HydrophobicContact CE2-CB 3.58Å; F277-A412 HydrophobicContact CZ-CB 3.94Å; A412-L414 VanDerWaalsContact C-N 3.26Å; A412-L414 PolarHBondContact O-N 3.13Å; A412-G415 PolarHBondContact O-N 3.02Å
413F79.3Confident59.9Low8 Ų878.1 Ų78.14%0.03544%0.443CS..G310 helixtrans-76-9.8177.5-54.5-84.5000113.6L76 V143 F277 I280 Q281 V408 G410 G411 T416L76-F413 HydrophobicContact CB-CE2 4.43Å; L76-F413 HydrophobicContact CD2-CE2 4.24Å; L76-F413 HydrophobicContact CD2-CZ 3.82Å; V143-F413 HydrophobicContact CG1-CE2 3.9Å; V143-F413 HydrophobicContact CG2-CD2 3.86Å; V143-F413 HydrophobicContact CG2-CE2 4Å; F277-F413 HydrophobicContact CB-CD1 3.88Å; F277-F413 HydrophobicContact CB-CE1 3.92Å; F277-F413 HydrophobicContact CD1-CE1 4.35Å; F277-F413 HydrophobicContact CD2-CD1 4.43Å; F277-F413 HydrophobicContact CG-CD1 4.18Å; F277-F413 HydrophobicContact CG-CE1 4.06Å; I280-F413 HydrophobicContact CB-CE1 3.98Å; I280-F413 HydrophobicContact CB-CZ 4.2Å; I280-F413 HydrophobicContact CG2-CE1 3.92Å; I280-F413 HydrophobicContact CG2-CZ 3.67Å; Q281-F413 HydrophobicContact CB-CD1 4.22Å; V408-F413 HydrophobicContact CG1-CD2 3.68Å; V408-F413 HydrophobicContact CG1-CE2 3.71Å; V408-F413 HydrophobicContact CG1-CG 4.15Å; V408-F413 HydrophobicContact CG1-CZ 4.2Å; G410-F413 WeakPolarHBondContact O-CD2 3.39Å; G410-F413 PolarHBondContact O-N 3.27Å; G411-F413 PolarHBondContact O-N 2.97Å; F413-T416 PolarHBondContact O-OG1 3.42Å
414L64Low59Low116 Ų11680 Ų8061%0.60746%0.462SS*.G310 helixtrans-77.1-29.9174.3-70.4174.2000112.4G411 A412G411-L414 PolarHBondContact O-N 3.23Å; G411-L414 VanDerWaalsContact O-N 3.11Å; A412-L414 VanDerWaalsContact C-N 3.26Å; A412-L414 PolarHBondContact O-N 3.13Å
415G53.2Low58.5Low56 Ų5675.9 Ų75.958%0.57744%0.44SS*.THydrogen-bonded Turntrans-86.8-10-173.200000115.7A412 R417A412-G415 PolarHBondContact O-N 3.02Å; G415-R417 PolarHBondContact O-N 3.13Å
416T51.6Low58Low38 Ų3873 Ų7323%0.23343%0.432CS..THydrogen-bonded Turntrans-74.2-5.7179.9480000114.1E274 F277 F413E274-T416 HydrophobicContact CG-CG2 4.17Å; F277-T416 HydrophobicContact CB-CG2 4.02Å; F277-T416 HydrophobicContact CD2-CG2 3.54Å; F277-T416 HydrophobicContact CE2-CG2 4.45Å; F277-T416 HydrophobicContact CG-CG2 4.26Å; F413-T416 PolarHBondContact O-OG1 3.42Å
417R46.6Very low57.5Low221 Ų22170.2 Ų70.283%0.83441%0.412SS*.SBendtrans-89.9105.3160.7-65.6-177.4-179.6-169.4-1105.9G415 G419G415-R417 PolarHBondContact O-N 3.13Å; R417-G419 PolarHBondContact O-N 2.89Å; R417-G419 VanDerWaalsContact O-N 3.09Å
418A46.6Very low56.1Low78 Ų7872.2 Ų72.265%0.64543%0.428SS*.  trans-19.9110.9174.400000111.7T422A418-T422 HydrophobicContact CB-CG2 4.12Å
419G45.7Very low54.4Low37 Ų3780.1 Ų80.138%0.38147%0.465SS..  trans-59171.8-175.300000112.1R417 F421 T422R417-G419 PolarHBondContact O-N 2.89Å; R417-G419 VanDerWaalsContact O-N 3.09Å; G419-F421 PolarHBondContact O-N 2.85Å; G419-T422 PolarHBondContact O-N 3.2Å
420P42.9Very low52.6Low120 Ų12085.4 Ų85.478%0.77949%0.49SS*.THydrogen-bonded Turntrans-64.1-0.5176.330.2-36.3000113.4
421F42.9Very low51.2Low177 Ų17793 Ų9378%0.77653%0.53SS*.THydrogen-bonded Turntrans-109.744.5175.7-47.9-76000110.7G419 E423G419-F421 PolarHBondContact O-N 2.85Å; F421-E423 PolarHBondContact O-N 2.74Å
422T46.4Very low49Very low104 Ų10495.4 Ų95.464%0.63856%0.555SS**  trans-55.692.514447.10000104.5A418 G419 G424A418-T422 HydrophobicContact CB-CG2 4.12Å; G419-T422 PolarHBondContact O-N 3.2Å; T422-G424 PolarHBondContact O-N 2.65Å
423E40.4Very low46.9Very low179 Ų179103.1 Ų103.184%0.83659%0.59SS**  trans-48.8115.2176.1-83.7-175.1150.700104.5F421 D425F421-E423 PolarHBondContact O-N 2.74Å; E423-D425 PolarHBondContact O-N 2.89Å
424G40.7Very low44.9Very low74 Ų74112.3 Ų112.376%0.76363%0.633SS**  trans-61.581.6171.600000106.8T422 P426T422-G424 PolarHBondContact O-N 2.65Å; G424-P426 WeakPolarHBondContact O-CD 3.21Å
425D43.7Very low43.5Very low66 Ų66113.5 Ų113.535%0.35364%0.635SS.*  trans-66.4113.4159.3-179.87.1000104E423 F427 A428E423-D425 PolarHBondContact O-N 2.89Å; D425-F427 PolarHBondContact O-N 3.32Å; D425-F427 WeakPolarHBondContact OD1-CA 3.11Å; D425-F427 WeakPolarHBondContact OD1-CB 3.39Å; D425-F427 WeakPolarHBondContact OD1-CD2 3.15Å; D425-F427 PolarHBondContact OD1-N 3.37Å; D425-A428 HydrophobicContact CB-CB 3.7Å; D425-A428 PolarHBondContact O-N 2.82Å
426P46.4Very low42.9Very low70 Ų70120.5 Ų120.546%0.45565%0.652SS.*THydrogen-bonded Turntrans-60.21.4171.726.5-32.6000111.8G424 R526G424-P426 WeakPolarHBondContact O-CD 3.21Å; P426-R526 VanDerWaalsContact C-NH2 3.26Å; P426-R526 PolarHBondContact O-NH2 2.9Å
427F47.3Very low42.4Very low21 Ų21126 Ų1269%0.09268%0.676CS.*THydrogen-bonded Turntrans-111.3-5.8173.9-51.5-64.2000115.9D425 V512 P520 P524 R526 L527D425-F427 PolarHBondContact O-N 3.32Å; D425-F427 WeakPolarHBondContact OD1-CA 3.11Å; D425-F427 WeakPolarHBondContact OD1-CB 3.39Å; D425-F427 WeakPolarHBondContact OD1-CD2 3.15Å; D425-F427 PolarHBondContact OD1-N 3.37Å; F427-V512 HydrophobicContact CE2-CG1 3.94Å; F427-V512 HydrophobicContact CZ-CG1 3.68Å; F427-V512 HydrophobicContact CZ-CG2 4.13Å; F427-P520 HydrophobicContact CD2-CB 4.49Å; F427-P524 HydrophobicContact CB-CG 4.07Å; F427-R526 PolarHBondContact O-NH2 3.1Å; F427-L527 HydrophobicContact CD1-CD1 3.71Å; F427-L527 HydrophobicContact CD1-CG 4.48Å; F427-L527 HydrophobicContact CE1-CD1 3.78Å
428A45.9Very low42.6Very low51 Ų51124.8 Ų124.842%0.42168%0.679SS.*SBendtrans-102.6152.7179.500000113.7D425D425-A428 HydrophobicContact CB-CB 3.7Å; D425-A428 PolarHBondContact O-N 2.82Å
429E43.8Very low43.1Very low166 Ų166126.8 Ų126.878%0.77668%0.675SS**  trans-67.4123.4179.4-67.9170.8167.700111.1N431E429-N431 PolarHBondContact O-N 2.8Å
430E40.5Very low44.4Very low193 Ų193131.7 Ų131.790%0.90269%0.693SS**  trans-70.5112.2153.9-77.7-175.3167.200106.6G432E430-G432 VanDerWaalsContact C-N 3.34Å; E430-G432 PolarHBondContact O-N 3.3Å
431N45.9Very low46.3Very low161 Ų161126.4 Ų126.486%0.86166%0.658SS**  trans-64.894.6174-77.2-44.7000109.6E429E429-N431 PolarHBondContact O-N 2.8Å
432G36.2Very low48.2Very low61 Ų61120.9 Ų120.963%0.62964%0.638SS**  trans-171.198.3176.200000112E430E430-G432 VanDerWaalsContact C-N 3.34Å; E430-G432 PolarHBondContact O-N 3.3Å
433E33.9Very low50Low169 Ų169116 Ų11679%0.7961%0.608SS**  trans71.1111.6162.7-57.8-178.3175.700116.9H435E433-H435 PolarHBondContact O-N 3.28Å
434E38.6Very low52.1Low200 Ų200110.6 Ų110.694%0.93559%0.587SS**  trans-56.995167-67.6175.2160.700110.1
435H34.8Very low54.2Low141 Ų141116 Ų11665%0.65359%0.59SS**  trans-101.1106.3158.1-86.2-78.4000108.3E433 E437E433-H435 PolarHBondContact O-N 3.28Å; H435-E437 PolarHBondContact O-N 3.47Å
436E39.5Very low56.2Low203 Ų203116 Ų11695%0.94959%0.59SS**  trans-65.669.6164.3-68.4-178.3154.600110
437E41.7Very low58.2Low154 Ų154114.3 Ų114.372%0.7258%0.575SS**  trans-101.6127.7159.4-66.4-170.7178.500107H435 E439H435-E437 PolarHBondContact O-N 3.47Å; E437-E439 PolarHBondContact O-N 2.82Å
438E50.7Low60.2Low195 Ų195117.6 Ų117.691%0.91160%0.599SS**  trans-50.9103.6177.2-71178.3147.500109.5D440E438-D440 PolarHBondContact O-N 3.03Å
439E57Low62.4Low120 Ų120119.9 Ų119.956%0.56160%0.599SS**  trans-62.999.2-178.3-79.7-169.8148.500110.5E437 W441 R533E437-E439 PolarHBondContact O-N 2.82Å; E439-W441 PolarHBondContact O-N 3.08Å; E439-R533 PolarHBondContact O-NH1 2.96Å; E439-R533 PolarHBondContact O-NH2 2.87Å
440D72.3Confident64.7Low141 Ų141112.1 Ų112.175%0.75456%0.563SS**  trans-50.1131.1166.5-89.4-22.6000109.7E438 V442E438-D440 PolarHBondContact O-N 3.03Å; D440-V442 PolarHBondContact O-N 3.46Å
441W84.6Confident67Low9 Ų9104.4 Ų104.43%0.03453%0.528CS..  trans-59.7127.1179.617853000109.8E439 V443 T444 K447 E501 A504 L505 R526 L527 P529 P530E439-W441 PolarHBondContact O-N 3.08Å; W441-V443 HydrophobicContact CD2-CB 3.87Å; W441-V443 HydrophobicContact CD2-CG2 4.31Å; W441-V443 HydrophobicContact CE3-CB 4.06Å; W441-V443 HydrophobicContact CH2-CB 3.9Å; W441-V443 HydrophobicContact CH2-CG1 4.04Å; W441-V443 HydrophobicContact CH2-CG2 4.47Å; W441-V443 HydrophobicContact CZ2-CB 3.69Å; W441-V443 HydrophobicContact CZ2-CG1 4.17Å; W441-V443 HydrophobicContact CZ2-CG2 3.79Å; W441-V443 HydrophobicContact CZ3-CB 4.08Å; W441-V443 HydrophobicContact CZ3-CG1 4.39Å; W441-V443 PolarHBondContact O-N 2.66Å; W441-T444 WeakPolarHBondContact CB-OG1 3.27Å; W441-T444 WeakPolarHBondContact O-CB 3.47Å; W441-T444 PolarHBondContact O-N 3.19Å; W441-T444 PolarHBondContact O-OG1 3.02Å; W441-K447 HydrophobicContact CZ3-CD 4.11Å; W441-E501 HydrophobicContact CH2-CB 3.87Å; W441-E501 HydrophobicContact CH2-CG 4.44Å; W441-E501 VanDerWaalsContact CH2-O 3.29Å; W441-E501 WeakPolarHBondContact CH2-O 3.21Å; W441-E501 HydrophobicContact CZ3-CB 4.35Å; W441-E501 HydrophobicContact CZ3-CG 4.44Å; W441-A504 HydrophobicContact CH2-CB 3.94Å; W441-L505 HydrophobicContact CZ2-CB 4.24Å; W441-R526 VanDerWaalsContact CD1-O 3.28Å; W441-L527 PolarHBondContact NE1-O 3.17Å; W441-P529 HydrophobicContact CZ2-CB 4.32Å; W441-P529 HydrophobicContact CZ2-CG 4.04Å; W441-P530 HydrophobicContact CB-CG 3.81Å; W441-P530 HydrophobicContact CD2-CG 4.42Å; W441-P530 HydrophobicContact CE3-CG 4.46Å; W441-P530 HydrophobicContact CG-CG 4.19Å
442V81.3Confident69.2Low61 Ų61103.1 Ų103.137%0.3752%0.517SS..G310 helixtrans-54.8-31.6-170.2-179.90000112.5D440 T444 R526 L527D440-V442 PolarHBondContact O-N 3.46Å; V442-T444 VanDerWaalsContact C-N 3.32Å; V442-T444 PolarHBondContact O-N 2.92Å; V442-R526 HydrophobicContact CG2-CB 4.37Å; V442-R526 HydrophobicContact CG2-CG 4.24Å; V442-L527 HydrophobicContact CB-CD2 4Å; V442-L527 HydrophobicContact CG1-CD2 4.47Å; V442-L527 HydrophobicContact CG2-CD2 4.27Å
443V85.7Confident71.8Confident0 Ų0103 Ų1030%050%0.501CS..G310 helixtrans-79.8-11.7-177.6-168.90000112.6W441 K445 D446 K447 Y450 A504 H508 L527W441-V443 HydrophobicContact CD2-CB 3.87Å; W441-V443 HydrophobicContact CD2-CG2 4.31Å; W441-V443 HydrophobicContact CE3-CB 4.06Å; W441-V443 HydrophobicContact CH2-CB 3.9Å; W441-V443 HydrophobicContact CH2-CG1 4.04Å; W441-V443 HydrophobicContact CH2-CG2 4.47Å; W441-V443 HydrophobicContact CZ2-CB 3.69Å; W441-V443 HydrophobicContact CZ2-CG1 4.17Å; W441-V443 HydrophobicContact CZ2-CG2 3.79Å; W441-V443 HydrophobicContact CZ3-CB 4.08Å; W441-V443 HydrophobicContact CZ3-CG1 4.39Å; W441-V443 PolarHBondContact O-N 2.66Å; V443-K445 PolarHBondContact O-N 3.41Å; V443-K445 VanDerWaalsContact O-N 3.13Å; V443-D446 PolarHBondContact O-N 2.95Å; V443-D446 VanDerWaalsContact O-N 3.08Å; V443-K447 PolarHBondContact O-N 3.05Å; V443-Y450 HydrophobicContact CG1-CD2 3.89Å; V443-Y450 HydrophobicContact CG1-CE2 3.8Å; V443-A504 HydrophobicContact CG1-CB 3.76Å; V443-A504 WeakPolarHBondContact CG1-O 3.34Å; V443-H508 HydrophobicContact CG1-CB 4.13Å; V443-H508 HydrophobicContact CG2-CB 3.89Å; V443-L527 HydrophobicContact CG2-CD2 4.49Å
444T84.6Confident74.6Confident67 Ų6794.9 Ų94.941%0.41146%0.463SS..G310 helixtrans-55.9-36.2-174.3-560000112.9W441 V442 D446W441-T444 WeakPolarHBondContact CB-OG1 3.27Å; W441-T444 WeakPolarHBondContact O-CB 3.47Å; W441-T444 PolarHBondContact O-N 3.19Å; W441-T444 PolarHBondContact O-OG1 3.02Å; V442-T444 VanDerWaalsContact C-N 3.32Å; V442-T444 PolarHBondContact O-N 2.92Å; T444-D446 VanDerWaalsContact C-N 3.35Å; T444-D446 PolarHBondContact O-N 3.31Å
445K83.5Confident77.1Confident187 Ų18791.8 Ų91.881%0.81344%0.444SS*.G310 helixtrans-64.7-38.3-179.3-66.4179.7-178.2172.50112.7V443V443-K445 PolarHBondContact O-N 3.41Å; V443-K445 VanDerWaalsContact O-N 3.13Å
446D85.8Confident79.8Confident65 Ų6591.1 Ų91.135%0.34845%0.445SS..THydrogen-bonded Turntrans-101.6-4.5-176.2-60.4-51.2000112.8V443 T444 P448 K449 Y450V443-D446 PolarHBondContact O-N 2.95Å; V443-D446 VanDerWaalsContact O-N 3.08Å; T444-D446 VanDerWaalsContact C-N 3.35Å; T444-D446 PolarHBondContact O-N 3.31Å; D446-P448 VanDerWaalsContact C-CD 3.45Å; D446-P448 VanDerWaalsContact C-N 3.35Å; D446-K449 WeakPolarHBondContact O-CB 3.2Å; D446-K449 PolarHBondContact O-N 3.34Å; D446-Y450 HydrophobicContact CB-CD2 4.08Å; D446-Y450 HydrophobicContact CB-CE2 3.39Å; D446-Y450 VanDerWaalsContact O-CD2 3.28Å; D446-Y450 WeakPolarHBondContact O-CD2 3.44Å; D446-Y450 PolarHBondContact O-N 3.13Å
447K87.8Confident82.2Confident36 Ų3683.8 Ų83.816%0.15741%0.412CS..Hα-helixtrans-49.6-45.4178.6-174.8-179.217554.20113.3W441 V443 K449 Y450 D451 D500W441-K447 HydrophobicContact CZ3-CD 4.11Å; V443-K447 PolarHBondContact O-N 3.05Å; K447-K449 VanDerWaalsContact C-N 3.27Å; K447-K449 PolarHBondContact O-N 3.38Å; K447-Y450 PolarHBondContact O-N 2.96Å; K447-D451 IonicContact NZ-OD1 3.22Å; K447-D451 PolarHBondContact NZ-OD1 2.88Å; K447-D451 IonicContact NZ-OD2 3.75Å; K447-D451 WeakPolarHBondContact O-CB 3.47Å; K447-D451 VanDerWaalsContact O-CG 3.28Å; K447-D451 PolarHBondContact O-N 3.4Å; K447-D500 IonicContact NZ-OD2 2.75Å; K447-D500 PolarHBondContact NZ-OD2 2.93Å
448P90.8Very high84.4Confident89 Ų8979.3 Ų79.358%0.57840%0.401SS*.Hα-helixtrans-59.8-35.1179.6-24.435000113.9D446 E452D446-P448 VanDerWaalsContact C-CD 3.45Å; D446-P448 VanDerWaalsContact C-N 3.35Å; P448-E452 PolarHBondContact O-N 2.9Å
449K91.7Very high86.3Confident100 Ų10071.4 Ų71.444%0.43537%0.367SS..Hα-helixtrans-68.2-41.5176.1176.1-164.6176.9-164.20110.7D446 K447 I453 E511D446-K449 WeakPolarHBondContact O-CB 3.2Å; D446-K449 PolarHBondContact O-N 3.34Å; K447-K449 VanDerWaalsContact C-N 3.27Å; K447-K449 PolarHBondContact O-N 3.38Å; K449-I453 PolarHBondContact O-N 2.89Å; K449-E511 IonicContact NZ-OE1 3.02Å; K449-E511 PolarHBondContact NZ-OE1 2.77Å; K449-E511 IonicContact NZ-OE2 2.71Å
450Y91.2Very high87.8Confident2 Ų271.6 Ų71.61%0.00837%0.372CS..Hα-helixtrans-72.4-38.1178.9-57.5-43.2000112.5V443 D446 K447 E452 I453 F454 A504 S507 H508 E511V443-Y450 HydrophobicContact CG1-CD2 3.89Å; V443-Y450 HydrophobicContact CG1-CE2 3.8Å; D446-Y450 HydrophobicContact CB-CD2 4.08Å; D446-Y450 HydrophobicContact CB-CE2 3.39Å; D446-Y450 VanDerWaalsContact O-CD2 3.28Å; D446-Y450 WeakPolarHBondContact O-CD2 3.44Å; D446-Y450 PolarHBondContact O-N 3.13Å; K447-Y450 PolarHBondContact O-N 2.96Å; Y450-E452 VanDerWaalsContact C-N 3.3Å; Y450-E452 PolarHBondContact O-N 2.9Å; Y450-I453 PolarHBondContact O-N 3.01Å; Y450-I453 VanDerWaalsContact O-N 3.16Å; Y450-F454 WeakPolarHBondContact O-CB 3.37Å; Y450-F454 PolarHBondContact O-N 3.2Å; Y450-A504 HydrophobicContact CD2-CB 3.85Å; Y450-A504 HydrophobicContact CG-CB 4.3Å; Y450-S507 VanDerWaalsContact CE1-CB 3.4Å; Y450-H508 HydrophobicContact CE2-CB 4.34Å; Y450-E511 PolarHBondContact OH-OE2 2.72Å
451D90.3Very high88.5Confident32 Ų3273.8 Ų73.817%0.17138%0.377CS..Hα-helixtrans-60.8-40.3175.9-71.7-5.4000110.6K447 I453 F454 Y455K447-D451 IonicContact NZ-OD1 3.22Å; K447-D451 PolarHBondContact NZ-OD1 2.88Å; K447-D451 IonicContact NZ-OD2 3.75Å; K447-D451 WeakPolarHBondContact O-CB 3.47Å; K447-D451 VanDerWaalsContact O-CG 3.28Å; K447-D451 PolarHBondContact O-N 3.4Å; D451-I453 VanDerWaalsContact C-N 3.33Å; D451-I453 PolarHBondContact O-N 3.16Å; D451-F454 WeakPolarHBondContact O-CB 3.4Å; D451-F454 PolarHBondContact O-N 3.15Å; D451-Y455 HydrophobicContact CB-CD2 4.29Å; D451-Y455 HydrophobicContact CB-CE2 4.09Å; D451-Y455 WeakPolarHBondContact O-CD2 3.45Å; D451-Y455 PolarHBondContact O-N 3.14Å
452E91.4Very high88.6Confident134 Ų13475 Ų7563%0.62639%0.392SS*.Hα-helixtrans-58.6-44.3174.8-172.3-179.9-179.500111.8P448 Y450 N456P448-E452 PolarHBondContact O-N 2.9Å; Y450-E452 VanDerWaalsContact C-N 3.3Å; Y450-E452 PolarHBondContact O-N 2.9Å; E452-N456 WeakPolarHBondContact O-CB 3.33Å; E452-N456 PolarHBondContact O-N 2.95Å; E452-N456 PolarHBondContact O-ND2 3.24Å
453I91.1Very high89Confident57 Ų5775.1 Ų75.129%0.29239%0.388SS..Hα-helixtrans-66-44.6176.2-59.9168.8000110.2K449 Y450 D451 N456 L457 W472 F503K449-I453 PolarHBondContact O-N 2.89Å; Y450-I453 PolarHBondContact O-N 3.01Å; Y450-I453 VanDerWaalsContact O-N 3.16Å; D451-I453 VanDerWaalsContact C-N 3.33Å; D451-I453 PolarHBondContact O-N 3.16Å; I453-N456 PolarHBondContact O-N 3.2Å; I453-L457 HydrophobicContact CG2-CD1 4.28Å; I453-L457 WeakPolarHBondContact O-CG 3.47Å; I453-L457 PolarHBondContact O-N 3.15Å; I453-W472 HydrophobicContact CG2-CZ2 4.3Å; I453-F503 HydrophobicContact CB-CE1 4.14Å; I453-F503 HydrophobicContact CB-CZ 4.47Å; I453-F503 HydrophobicContact CG2-CE1 3.99Å; I453-F503 HydrophobicContact CG2-CZ 3.82Å
454F92.4Very high89.3Confident0 Ų075.1 Ų75.10%039%0.388CS..Hα-helixtrans-57.3-52-179.6179.4-107.9000111.7Y450 D451 N456 L457 P459 G462 L464 L498 D500 F503Y450-F454 WeakPolarHBondContact O-CB 3.37Å; Y450-F454 PolarHBondContact O-N 3.2Å; D451-F454 WeakPolarHBondContact O-CB 3.4Å; D451-F454 PolarHBondContact O-N 3.15Å; F454-N456 VanDerWaalsContact C-N 3.32Å; F454-N456 PolarHBondContact O-N 2.96Å; F454-L457 WeakPolarHBondContact O-CB 3.45Å; F454-L457 PolarHBondContact O-N 2.6Å; F454-L457 VanDerWaalsContact O-N 3.12Å; F454-P459 HydrophobicContact CD1-CG 4.03Å; F454-P459 HydrophobicContact CE1-CB 3.85Å; F454-P459 HydrophobicContact CE1-CG 3.63Å; F454-P459 HydrophobicContact CE2-CB 4.24Å; F454-P459 HydrophobicContact CZ-CB 3.67Å; F454-P459 HydrophobicContact CZ-CG 4.01Å; F454-P459 WeakPolarHBondContact O-CD 3.45Å; F454-G462 WeakPolarHBondContact CZ-O 3.39Å; F454-L464 HydrophobicContact CD2-CB 4.37Å; F454-L464 HydrophobicContact CE2-CB 3.7Å; F454-L464 HydrophobicContact CZ-CB 4.5Å; F454-L498 WeakPolarHBondContact CE2-O 3.5Å; F454-D500 HydrophobicContact CD1-CB 3.93Å; F454-D500 HydrophobicContact CE1-CB 3.79Å; F454-D500 HydrophobicContact CZ-CB 4.3Å; F454-F503 HydrophobicContact CB-CD1 3.66Å; F454-F503 HydrophobicContact CB-CE1 3.96Å; F454-F503 HydrophobicContact CB-CG 4.16Å; F454-F503 HydrophobicContact CD2-CB 3.52Å; F454-F503 AromaticContact CD2-CD1 3.9Å; F454-F503 HydrophobicContact CD2-CD1 3.9Å; F454-F503 AromaticContact CD2-CD2 3.86Å; F454-F503 HydrophobicContact CD2-CD2 3.86Å; F454-F503 AromaticContact CD2-CG 3.47Å; F454-F503 HydrophobicContact CD2-CG 3.47Å; F454-F503 VanDerWaalsContact CD2-CG 3.47Å; F454-F503 HydrophobicContact CE2-CB 3.93Å; F454-F503 HydrophobicContact CE2-CG 4.28Å; F454-F503 HydrophobicContact CG-CB 4.36Å; F454-F503 HydrophobicContact CG-CD1 4.22Å; F454-F503 HydrophobicContact CG-CG 4.24Å
455Y91.4Very high89.6Confident135 Ų13573.9 Ų73.953%0.52938%0.382SS..Hα-helixtrans-68.5-31-179.3-70.2-63.5000112.7D451 L457 A458 P459D451-Y455 HydrophobicContact CB-CD2 4.29Å; D451-Y455 HydrophobicContact CB-CE2 4.09Å; D451-Y455 WeakPolarHBondContact O-CD2 3.45Å; D451-Y455 PolarHBondContact O-N 3.14Å; Y455-L457 PolarHBondContact O-N 3.19Å; Y455-A458 PolarHBondContact O-N 3.23Å; Y455-A458 VanDerWaalsContact O-N 3.11Å; Y455-P459 HydrophobicContact CD1-CG 4.06Å
456N91.9Very high89.8Confident126 Ų12666 Ų6667%0.67435%0.354SS*.Hα-helixtrans-65.2-24.1172.9-78.9-34.5000113.3E452 I453 F454 A458E452-N456 WeakPolarHBondContact O-CB 3.33Å; E452-N456 PolarHBondContact O-N 2.95Å; E452-N456 PolarHBondContact O-ND2 3.24Å; I453-N456 PolarHBondContact O-N 3.2Å; F454-N456 VanDerWaalsContact C-N 3.32Å; F454-N456 PolarHBondContact O-N 2.96Å; N456-A458 PolarHBondContact O-N 3.34Å
457L88.9Confident89.9Confident49 Ų4967.6 Ų67.626%0.25737%0.366SS..THydrogen-bonded Turntrans-79.92.5175.1-65.4167.3000113.4I453 F454 Y455 L464 K468 W472 F503I453-L457 HydrophobicContact CG2-CD1 4.28Å; I453-L457 WeakPolarHBondContact O-CG 3.47Å; I453-L457 PolarHBondContact O-N 3.15Å; F454-L457 WeakPolarHBondContact O-CB 3.45Å; F454-L457 PolarHBondContact O-N 2.6Å; F454-L457 VanDerWaalsContact O-N 3.12Å; Y455-L457 PolarHBondContact O-N 3.19Å; L457-L464 HydrophobicContact CB-CD1 3.84Å; L457-L464 HydrophobicContact CB-CD2 4.42Å; L457-L464 HydrophobicContact CD1-CD2 3.9Å; L457-K468 PolarHBondContact O-NZ 3.19Å; L457-W472 HydrophobicContact CD1-CB 4.02Å; L457-W472 HydrophobicContact CD1-CD2 4.3Å; L457-W472 HydrophobicContact CD1-CG 3.75Å; L457-W472 HydrophobicContact CD2-CB 4.27Å; L457-W472 HydrophobicContact CD2-CG 4.41Å; L457-F503 HydrophobicContact CD1-CE2 3.73Å; L457-F503 HydrophobicContact CD1-CZ 3.69Å
458A89Confident89.9Confident60 Ų6070 Ų7050%0.49638%0.377SS..  trans53.268.6179.700000112.2Y455 N456 K468Y455-A458 PolarHBondContact O-N 3.23Å; Y455-A458 VanDerWaalsContact O-N 3.11Å; N456-A458 PolarHBondContact O-N 3.34Å; A458-K468 PolarHBondContact O-NZ 2.99Å
459P90Very high89.9Confident29 Ų2965.8 Ų65.819%0.18835%0.349CS..  trans-64.4148.9174.729.6-33.7000109.8F454 Y455 K463F454-P459 HydrophobicContact CD1-CG 4.03Å; F454-P459 HydrophobicContact CE1-CB 3.85Å; F454-P459 HydrophobicContact CE1-CG 3.63Å; F454-P459 HydrophobicContact CE2-CB 4.24Å; F454-P459 HydrophobicContact CZ-CB 3.67Å; F454-P459 HydrophobicContact CZ-CG 4.01Å; F454-P459 WeakPolarHBondContact O-CD 3.45Å; Y455-P459 HydrophobicContact CD1-CG 4.06Å; P459-K463 CarbonylContact C-O 3.57Å; P459-K463 WeakPolarHBondContact CA-O 3.28Å; P459-K463 WeakPolarHBondContact CB-O 3.38Å
460N88.6Confident89.7Confident124 Ų12467.2 Ų67.266%0.66336%0.356SS*.BIsolated β-bridgetrans-99125.4175.7-169.929.9000108.7G462 K463N460-G462 PolarHBondContact O-N 2.99Å; N460-G462 VanDerWaalsContact O-N 3.14Å; N460-K463 PolarHBondContact N-O 3.3Å; N460-K463 PolarHBondContact O-N 3.41Å; N460-K463 VanDerWaalsContact O-O 3.08Å
461E86.9Confident89.6Confident187 Ų18772.7 Ų72.787%0.87439%0.385SS*.THydrogen-bonded Turntrans52.234-177.8-59-176.5171.900114K463E461-K463 VanDerWaalsContact C-N 3.3Å; E461-K463 PolarHBondContact O-N 2.98Å
462G86.4Confident89.7Confident34 Ų3473 Ų7335%0.35138%0.384SS..THydrogen-bonded Turntrans78.39.8-178.900000114.7F454 N460F454-G462 WeakPolarHBondContact CZ-O 3.39Å; N460-G462 PolarHBondContact O-N 2.99Å; N460-G462 VanDerWaalsContact O-N 3.14Å
463K90.1Very high89.5Confident64 Ų6466.9 Ų66.928%0.27836%0.355SS..BIsolated β-bridgetrans-124.5138.1174.8-65.4-168.4171.1-162.40112.4P459 N460 E461 D493 D495 M497 D499P459-K463 CarbonylContact C-O 3.57Å; P459-K463 WeakPolarHBondContact CA-O 3.28Å; P459-K463 WeakPolarHBondContact CB-O 3.38Å; N460-K463 PolarHBondContact N-O 3.3Å; N460-K463 PolarHBondContact O-N 3.41Å; N460-K463 VanDerWaalsContact O-O 3.08Å; E461-K463 VanDerWaalsContact C-N 3.3Å; E461-K463 PolarHBondContact O-N 2.98Å; K463-D493 IonicContact NZ-OD2 3.99Å; K463-D495 IonicContact NZ-OD2 2.59Å; K463-D495 PolarHBondContact NZ-OD2 2.82Å; K463-M497 HydrophobicContact CB-CB 4.17Å; K463-M497 HydrophobicContact CB-SD 4.28Å; K463-M497 HydrophobicContact CD-CB 4.36Å; K463-D499 HydrophobicContact CG-CB 4.36Å
464L91.9Very high89.4Confident0 Ų067.5 Ų67.50%036%0.361CS..EExtended strand (participates in β ladder)trans-93.7125.1174.7-168.767.9000109.7F454 L457 K468 A469 M497 L498 F503F454-L464 HydrophobicContact CD2-CB 4.37Å; F454-L464 HydrophobicContact CE2-CB 3.7Å; F454-L464 HydrophobicContact CZ-CB 4.5Å; L457-L464 HydrophobicContact CB-CD1 3.84Å; L457-L464 HydrophobicContact CB-CD2 4.42Å; L457-L464 HydrophobicContact CD1-CD2 3.9Å; L464-K468 HydrophobicContact CD1-CB 3.71Å; L464-K468 HydrophobicContact CD1-CD 3.83Å; L464-K468 HydrophobicContact CD1-CG 4.48Å; L464-K468 HydrophobicContact CG-CB 4.03Å; L464-A469 HydrophobicContact CD2-CB 3.84Å; L464-A469 HydrophobicContact CG-CB 4.23Å; L464-M497 WeakPolarHBondContact O-CA 3.46Å; L464-M497 WeakPolarHBondContact O-CB 3.43Å; L464-L498 PolarHBondContact N-O 3.22Å; L464-L498 PolarHBondContact O-N 3.45Å; L464-F503 HydrophobicContact CD2-CD2 3.88Å; L464-F503 HydrophobicContact CD2-CE2 3.83Å
465S91.3Very high89.2Confident41 Ų4171.2 Ų71.229%0.28739%0.387SS..EExtended strand (participates in β ladder)trans-64.8145.1178.968.50000111.4T467 K468 A469S465-T467 PolarHBondContact O-N 3.14Å; S465-T467 PolarHBondContact OG-OG1 3.36Å; S465-K468 PolarHBondContact O-N 3.35Å; S465-K468 WeakPolarHBondContact OG-CG 3.21Å; S465-A469 PolarHBondContact O-N 3.38Å
466G86.1Confident89.1Confident21 Ų2166.1 Ų66.122%0.21637%0.37CS..Hα-helixtrans-56.7-26.7179.900000114.8K470 G496G466-K470 WeakPolarHBondContact O-CB 3.46Å; G466-K470 PolarHBondContact O-N 3.3Å; G466-G496 PolarHBondContact N-O 2.93Å
467T87.6Confident88.8Confident100 Ų10071.2 Ų71.261%0.61338%0.38SS*.Hα-helixtrans-65.5-49.6171.547.60000112.6S465 K470 D471S465-T467 PolarHBondContact O-N 3.14Å; S465-T467 PolarHBondContact OG-OG1 3.36Å; T467-K470 PolarHBondContact O-N 2.9Å; T467-D471 VanDerWaalsContact O-CG 3.32Å; T467-D471 PolarHBondContact O-N 2.99Å
468K89.4Confident88.5Confident87 Ų8770 Ų7038%0.37837%0.374SS..Hα-helixtrans-67.5-41.8178.6-72.5-176.3172.1-165.10111.7L457 A458 L464 S465 K470 D471 W472L457-K468 PolarHBondContact O-NZ 3.19Å; A458-K468 PolarHBondContact O-NZ 2.99Å; L464-K468 HydrophobicContact CD1-CB 3.71Å; L464-K468 HydrophobicContact CD1-CD 3.83Å; L464-K468 HydrophobicContact CD1-CG 4.48Å; L464-K468 HydrophobicContact CG-CB 4.03Å; S465-K468 PolarHBondContact O-N 3.35Å; S465-K468 WeakPolarHBondContact OG-CG 3.21Å; K468-K470 VanDerWaalsContact C-N 3.34Å; K468-D471 PolarHBondContact O-N 3.06Å; K468-W472 PolarHBondContact O-N 3.33Å
469A89.4Confident88.3Confident0 Ų070.8 Ų70.80%037%0.374CS..Hα-helixtrans-61.1-44.4175.900000111.1L464 S465 D471 W472 M473 W487 L498L464-A469 HydrophobicContact CD2-CB 3.84Å; L464-A469 HydrophobicContact CG-CB 4.23Å; S465-A469 PolarHBondContact O-N 3.38Å; A469-D471 PolarHBondContact O-N 2.87Å; A469-W472 PolarHBondContact O-N 3.2Å; A469-M473 WeakPolarHBondContact O-CB 3.35Å; A469-M473 WeakPolarHBondContact O-CG 3.48Å; A469-M473 PolarHBondContact O-N 3.42Å; A469-W487 HydrophobicContact CB-CH2 4.4Å; A469-W487 HydrophobicContact CB-CZ3 3.63Å; A469-L498 HydrophobicContact CB-CD1 3.92Å
470K87.6Confident87.4Confident130 Ų13075.1 Ų75.157%0.56540%0.395SS*.Hα-helixtrans-59.8-46.3174.9-179.9-176.6177.2-174.80112.3G466 T467 K468 W472 M473 V474G466-K470 WeakPolarHBondContact O-CB 3.46Å; G466-K470 PolarHBondContact O-N 3.3Å; T467-K470 PolarHBondContact O-N 2.9Å; K468-K470 VanDerWaalsContact C-N 3.34Å; K470-W472 VanDerWaalsContact C-N 3.29Å; K470-W472 PolarHBondContact O-N 3.28Å; K470-M473 PolarHBondContact O-N 2.96Å; K470-V474 HydrophobicContact CG-CG2 4.35Å; K470-V474 WeakPolarHBondContact O-CB 3.42Å; K470-V474 VanDerWaalsContact O-CG2 3.26Å; K470-V474 WeakPolarHBondContact O-CG2 3.19Å; K470-V474 PolarHBondContact O-N 3.28Å
471D88.9Confident86.8Confident116 Ų11674 Ų7462%0.6240%0.397SS*.Hα-helixtrans-61.2-41179.8-70.1-19.3000111.4T467 K468 A469 S475T467-D471 VanDerWaalsContact O-CG 3.32Å; T467-D471 PolarHBondContact O-N 2.99Å; K468-D471 PolarHBondContact O-N 3.06Å; A469-D471 PolarHBondContact O-N 2.87Å; D471-S475 PolarHBondContact O-N 2.83Å
472W92.3Very high86.5Confident40 Ų4066.3 Ų66.315%0.15236%0.363CS..Hα-helixtrans-65.9-48.4172.9174.181.1000112.3I453 L457 K468 A469 K470 V474 S475 F503 S507 I510I453-W472 HydrophobicContact CG2-CZ2 4.3Å; L457-W472 HydrophobicContact CD1-CB 4.02Å; L457-W472 HydrophobicContact CD1-CD2 4.3Å; L457-W472 HydrophobicContact CD1-CG 3.75Å; L457-W472 HydrophobicContact CD2-CB 4.27Å; L457-W472 HydrophobicContact CD2-CG 4.41Å; K468-W472 PolarHBondContact O-N 3.33Å; A469-W472 PolarHBondContact O-N 3.2Å; K470-W472 VanDerWaalsContact C-N 3.29Å; K470-W472 PolarHBondContact O-N 3.28Å; W472-V474 VanDerWaalsContact C-N 3.29Å; W472-V474 PolarHBondContact O-N 3.34Å; W472-S475 VanDerWaalsContact O-CB 3.26Å; W472-S475 WeakPolarHBondContact O-CB 3.37Å; W472-S475 PolarHBondContact O-N 2.66Å; W472-S475 PolarHBondContact O-OG 3Å; W472-F503 AromaticContact CD2-CE2 3.84Å; W472-F503 HydrophobicContact CD2-CE2 3.84Å; W472-F503 AromaticContact CD2-CZ 3.79Å; W472-F503 HydrophobicContact CD2-CZ 3.79Å; W472-F503 AromaticContact CE2-CZ 3.66Å; W472-F503 AromaticContact CE3-CE2 3.56Å; W472-F503 HydrophobicContact CE3-CE2 3.56Å; W472-F503 AromaticContact CE3-CZ 3.86Å; W472-F503 HydrophobicContact CE3-CZ 3.86Å; W472-F503 HydrophobicContact CH2-CE1 4.35Å; W472-F503 HydrophobicContact CH2-CE2 4.1Å; W472-F503 AromaticContact CH2-CZ 3.74Å; W472-F503 HydrophobicContact CH2-CZ 3.74Å; W472-F503 HydrophobicContact CZ2-CE1 4.32Å; W472-F503 HydrophobicContact CZ2-CE2 4.34Å; W472-F503 AromaticContact CZ2-CZ 3.65Å; W472-F503 HydrophobicContact CZ2-CZ 3.65Å; W472-F503 HydrophobicContact CZ3-CD2 4.49Å; W472-F503 AromaticContact CZ3-CE2 3.71Å; W472-F503 HydrophobicContact CZ3-CE2 3.71Å; W472-F503 AromaticContact CZ3-CZ 3.84Å; W472-F503 HydrophobicContact CZ3-CZ 3.84Å; W472-S507 VanDerWaalsContact CH2-OG 3.27Å; W472-S507 WeakPolarHBondContact CH2-OG 3.29Å; W472-I510 HydrophobicContact CH2-CD1 3.83Å; W472-I510 HydrophobicContact CZ3-CD1 3.66Å
473M87.7Confident86.2Confident5 Ų565.1 Ų65.13%0.02535%0.349CS..Hα-helixtrans-58.3-39.7179-74.4175.789.300111.9A469 K470 S475 T476 L483 I486 W487 I510A469-M473 WeakPolarHBondContact O-CB 3.35Å; A469-M473 WeakPolarHBondContact O-CG 3.48Å; A469-M473 PolarHBondContact O-N 3.42Å; K470-M473 PolarHBondContact O-N 2.96Å; M473-S475 PolarHBondContact O-N 2.96Å; M473-T476 WeakPolarHBondContact O-CB 3.45Å; M473-T476 WeakPolarHBondContact O-CG2 3.34Å; M473-T476 PolarHBondContact O-N 3.48Å; M473-T476 PolarHBondContact O-OG1 2.85Å; M473-L483 HydrophobicContact CB-CD1 4.34Å; M473-L483 HydrophobicContact CB-CD2 4.06Å; M473-L483 HydrophobicContact CE-CB 4.43Å; M473-L483 HydrophobicContact CE-CD2 4.28Å; M473-L483 WeakPolarHBondContact CE-O 3.47Å; M473-L483 WeakPolarHBondContact O-CD1 3.39Å; M473-I486 HydrophobicContact CE-CB 3.95Å; M473-I486 HydrophobicContact CE-CG2 3.76Å; M473-W487 HydrophobicContact CE-CB 4.34Å; M473-W487 HydrophobicContact SD-CE3 4Å; M473-I510 HydrophobicContact CE-CD1 4.47Å; M473-I510 HydrophobicContact CG-CD1 4.19Å
474V88.5Confident85.8Confident69 Ų6964.1 Ų64.142%0.41836%0.356SS..Hα-helixtrans-64.5-30.5177169.80000111.7K470 W472 T476 R477 L483K470-V474 HydrophobicContact CG-CG2 4.35Å; K470-V474 WeakPolarHBondContact O-CB 3.42Å; K470-V474 VanDerWaalsContact O-CG2 3.26Å; K470-V474 WeakPolarHBondContact O-CG2 3.19Å; K470-V474 PolarHBondContact O-N 3.28Å; W472-V474 VanDerWaalsContact C-N 3.29Å; W472-V474 PolarHBondContact O-N 3.34Å; V474-T476 PolarHBondContact O-N 3.25Å; V474-R477 PolarHBondContact O-N 3.37Å; V474-R477 VanDerWaalsContact O-N 3.15Å; V474-L483 HydrophobicContact CG2-CD1 4.08Å
475S88.8Confident85.4Confident79 Ų7969.2 Ų69.255%0.55238%0.376SS*.Hα-helixtrans-63.8-20.8177.282.50000113.6D471 W472 M473 R477D471-S475 PolarHBondContact O-N 2.83Å; W472-S475 VanDerWaalsContact O-CB 3.26Å; W472-S475 WeakPolarHBondContact O-CB 3.37Å; W472-S475 PolarHBondContact O-N 2.66Å; W472-S475 PolarHBondContact O-OG 3Å; M473-S475 PolarHBondContact O-N 2.96Å; S475-R477 PolarHBondContact O-N 2.93Å
476T88.8Confident85.3Confident28 Ų2867.2 Ų67.217%0.17236%0.362CS..THydrogen-bonded Turntrans-73.8-4.9177.673.60000113.6M473 V474 L478 I510M473-T476 WeakPolarHBondContact O-CB 3.45Å; M473-T476 WeakPolarHBondContact O-CG2 3.34Å; M473-T476 PolarHBondContact O-N 3.48Å; M473-T476 PolarHBondContact O-OG1 2.85Å; V474-T476 PolarHBondContact O-N 3.25Å; T476-L478 PolarHBondContact O-N 2.78Å; T476-I510 HydrophobicContact CG2-CD1 4.24Å; T476-I510 HydrophobicContact CG2-CG2 3.94Å
477R87.5Confident85.5Confident233 Ų23369.1 Ų69.188%0.87936%0.363SS*.THydrogen-bonded Turntrans62.316.1177.5-53.4-176.9178.8-177.8-0.5115.1V474 S475V474-R477 PolarHBondContact O-N 3.37Å; V474-R477 VanDerWaalsContact O-N 3.15Å; S475-R477 PolarHBondContact O-N 2.93Å
478L82.6Confident85.5Confident24 Ų2472.5 Ų72.513%0.12637%0.369CS..  trans-74151.3169.9-70.4176.5000111.5T476 V482 L483 I486 I510 K513 L514T476-L478 PolarHBondContact O-N 2.78Å; L478-V482 HydrophobicContact CD1-CG1 4.4Å; L478-L483 HydrophobicContact CB-CD2 3.7Å; L478-L483 HydrophobicContact CB-CG 3.95Å; L478-L483 HydrophobicContact CD1-CD2 4.07Å; L478-L483 HydrophobicContact CG-CD2 4.48Å; L478-I486 HydrophobicContact CD1-CD1 4.11Å; L478-I510 HydrophobicContact CD1-CB 4.31Å; L478-I510 HydrophobicContact CD1-CG1 4.15Å; L478-I510 HydrophobicContact CD1-CG2 3.95Å; L478-K513 HydrophobicContact CD1-CB 4.22Å; L478-K513 HydrophobicContact CD1-CG 4.23Å; L478-K513 HydrophobicContact CD2-CG 4.09Å; L478-L514 HydrophobicContact CD2-CD2 3.77Å; L478-L514 HydrophobicContact CD2-CG 4.29Å; L478-L514 HydrophobicContact CG-CD2 4.14Å
479P84.3Confident85.4Confident76 Ų7669.2 Ų69.249%0.49436%0.355SS..  trans-59.6142.7175.9-23.133.2000112.6S481 V482 L483P479-S481 PolarHBondContact O-N 2.87Å; P479-S481 VanDerWaalsContact O-N 3.1Å; P479-V482 HydrophobicContact CB-CG2 4.16Å; P479-V482 HydrophobicContact CG-CG2 4.21Å; P479-V482 WeakPolarHBondContact O-CA 3.13Å; P479-V482 WeakPolarHBondContact O-CB 3.26Å; P479-V482 PolarHBondContact O-N 3.35Å; P479-L483 PolarHBondContact O-N 3.16Å
480N71.9Confident85.5Confident120 Ų12069.2 Ų69.264%0.64236%0.355SS*.Hα-helixtrans-55.2-32.6-180-78.6-31.1000113.8V482 G484N480-V482 VanDerWaalsContact C-N 3.33Å; N480-G484 PolarHBondContact O-N 3.27Å
481S74.9Confident85.6Confident99 Ų9963.8 Ų63.869%0.69233%0.332SS*.Hα-helixtrans-65.7-35.5175.853.30000112.8P479 R485P479-S481 PolarHBondContact O-N 2.87Å; P479-S481 VanDerWaalsContact O-N 3.1Å; S481-R485 PolarHBondContact O-N 3.45Å
482V79.7Confident85.6Confident27 Ų2760.4 Ų60.416%0.16432%0.316CS..Hα-helixtrans-74.6-46.4177.3176.20000109.9L478 P479 N480 G484 R485 I486 K513 L519L478-V482 HydrophobicContact CD1-CG1 4.4Å; P479-V482 HydrophobicContact CB-CG2 4.16Å; P479-V482 HydrophobicContact CG-CG2 4.21Å; P479-V482 WeakPolarHBondContact O-CA 3.13Å; P479-V482 WeakPolarHBondContact O-CB 3.26Å; P479-V482 PolarHBondContact O-N 3.35Å; N480-V482 VanDerWaalsContact C-N 3.33Å; V482-G484 VanDerWaalsContact C-N 3.31Å; V482-G484 PolarHBondContact O-N 2.93Å; V482-R485 WeakPolarHBondContact O-CB 3.04Å; V482-R485 PolarHBondContact O-N 3.2Å; V482-I486 HydrophobicContact CG1-CD1 4.12Å; V482-I486 WeakPolarHBondContact O-CG1 3.27Å; V482-I486 PolarHBondContact O-N 2.91Å; V482-K513 HydrophobicContact CG1-CD 4.35Å; V482-K513 HydrophobicContact CG1-CG 3.67Å; V482-L519 HydrophobicContact CG1-CD1 3.83Å
483L82.1Confident85.3Confident9 Ų962 Ų625%0.04733%0.327CS..Hα-helixtrans-59.9-40.1176.9-65.9179.2000112.2M473 V474 L478 P479 R485 I486 W487M473-L483 HydrophobicContact CB-CD1 4.34Å; M473-L483 HydrophobicContact CB-CD2 4.06Å; M473-L483 HydrophobicContact CE-CB 4.43Å; M473-L483 HydrophobicContact CE-CD2 4.28Å; M473-L483 WeakPolarHBondContact CE-O 3.47Å; M473-L483 WeakPolarHBondContact O-CD1 3.39Å; V474-L483 HydrophobicContact CG2-CD1 4.08Å; L478-L483 HydrophobicContact CB-CD2 3.7Å; L478-L483 HydrophobicContact CB-CG 3.95Å; L478-L483 HydrophobicContact CD1-CD2 4.07Å; L478-L483 HydrophobicContact CG-CD2 4.48Å; P479-L483 PolarHBondContact O-N 3.16Å; L483-R485 VanDerWaalsContact C-N 3.29Å; L483-R485 PolarHBondContact O-N 2.81Å; L483-I486 PolarHBondContact O-N 3.19Å; L483-W487 WeakPolarHBondContact O-CB 3.11Å; L483-W487 PolarHBondContact O-N 2.6Å
484G81.1Confident85.3Confident43 Ų4371.8 Ų71.844%0.44336%0.364SS..Hα-helixtrans-63.7-32.7174.600000113.4N480 V482 K488N480-G484 PolarHBondContact O-N 3.27Å; V482-G484 VanDerWaalsContact C-N 3.31Å; V482-G484 PolarHBondContact O-N 2.93Å; G484-K488 PolarHBondContact O-N 3.33Å
485R83.4Confident85.2Confident106 Ų10671.6 Ų71.640%0.436%0.361SS..Hα-helixtrans-73.4-40.9174.6-174.1173.1174.8-172.8-6111.9S481 V482 L483 K488 L489 L519 P520 P521S481-R485 PolarHBondContact O-N 3.45Å; V482-R485 WeakPolarHBondContact O-CB 3.04Å; V482-R485 PolarHBondContact O-N 3.2Å; L483-R485 VanDerWaalsContact C-N 3.29Å; L483-R485 PolarHBondContact O-N 2.81Å; R485-K488 PolarHBondContact O-N 3.32Å; R485-L489 HydrophobicContact CG-CD1 4.35Å; R485-L489 WeakPolarHBondContact O-CG 3.45Å; R485-L489 PolarHBondContact O-N 2.85Å; R485-L489 VanDerWaalsContact O-N 3.13Å; R485-L519 HydrophobicContact CB-CD1 4.38Å; R485-L519 HydrophobicContact CG-CD1 4.32Å; R485-L519 PolarHBondContact NH2-O 3.34Å; R485-P520 PolarHBondContact NH2-O 3.36Å; R485-P521 VanDerWaalsContact NH2-CA 3.31Å
486I88.4Confident85.2Confident0 Ų069.4 Ų69.40%035%0.35CS..Hα-helixtrans-61.3-47.9174.5-65.2173.6000109.8M473 L478 V482 L483 K488 L489 S490 A506 L509 I510 L519M473-I486 HydrophobicContact CE-CB 3.95Å; M473-I486 HydrophobicContact CE-CG2 3.76Å; L478-I486 HydrophobicContact CD1-CD1 4.11Å; V482-I486 HydrophobicContact CG1-CD1 4.12Å; V482-I486 WeakPolarHBondContact O-CG1 3.27Å; V482-I486 PolarHBondContact O-N 2.91Å; L483-I486 PolarHBondContact O-N 3.19Å; I486-K488 VanDerWaalsContact C-N 3.3Å; I486-K488 PolarHBondContact O-N 3.4Å; I486-L489 PolarHBondContact O-N 3.16Å; I486-S490 WeakPolarHBondContact O-CB 3.44Å; I486-S490 PolarHBondContact O-N 2.89Å; I486-S490 PolarHBondContact O-OG 3.05Å; I486-S490 VanDerWaalsContact O-OG 3.06Å; I486-A506 HydrophobicContact CG2-CB 4.29Å; I486-L509 HydrophobicContact CD1-CB 4.5Å; I486-L509 HydrophobicContact CG1-CB 4.28Å; I486-L509 HydrophobicContact CG2-CB 3.95Å; I486-L509 HydrophobicContact CG2-CD1 4.25Å; I486-I510 HydrophobicContact CD1-CG1 3.68Å; I486-I510 HydrophobicContact CG2-CG1 4.3Å; I486-L519 HydrophobicContact CD1-CD1 4.11Å; I486-L519 HydrophobicContact CD1-CD2 4.28Å; I486-L519 HydrophobicContact CG1-CD1 3.53Å; I486-L519 HydrophobicContact CG1-CD2 3.95Å; I486-L519 HydrophobicContact CG1-CG 4.41Å
487W90Very high85.3Confident61 Ų6172 Ų7223%0.23136%0.362CS..Hα-helixtrans-51.3-49.7175.1177.2-85.4000112A469 M473 L483 L489 S490 D491 L498A469-W487 HydrophobicContact CB-CH2 4.4Å; A469-W487 HydrophobicContact CB-CZ3 3.63Å; M473-W487 HydrophobicContact CE-CB 4.34Å; M473-W487 HydrophobicContact SD-CE3 4Å; L483-W487 WeakPolarHBondContact O-CB 3.11Å; L483-W487 PolarHBondContact O-N 2.6Å; W487-L489 PolarHBondContact O-N 3.33Å; W487-S490 PolarHBondContact O-N 3.04Å; W487-D491 WeakPolarHBondContact O-CB 3.43Å; W487-D491 PolarHBondContact O-N 3.41Å; W487-L498 HydrophobicContact CE3-CD1 4.21Å; W487-L498 HydrophobicContact CH2-CD1 4.49Å; W487-L498 HydrophobicContact CH2-CD2 4.43Å; W487-L498 HydrophobicContact CH2-CG 4.07Å; W487-L498 HydrophobicContact CZ3-CD1 3.71Å; W487-L498 HydrophobicContact CZ3-CD2 4.24Å; W487-L498 HydrophobicContact CZ3-CG 3.78Å
488K87.8Confident85.6Confident171 Ų17161 Ų6174%0.74332%0.32SS*.Hα-helixtrans-62.7-29.5179.7-173-178.9177-170.10113.4G484 R485 I486G484-K488 PolarHBondContact O-N 3.33Å; R485-K488 PolarHBondContact O-N 3.32Å; I486-K488 VanDerWaalsContact C-N 3.3Å; I486-K488 PolarHBondContact O-N 3.4Å
489L87.3Confident86.1Confident18 Ų1860.8 Ų60.89%0.09432%0.319CS..Hα-helixtrans-83.3-30.3177.6-70.6170000112.1R485 I486 W487 L509 P520 L523R485-L489 HydrophobicContact CG-CD1 4.35Å; R485-L489 WeakPolarHBondContact O-CG 3.45Å; R485-L489 PolarHBondContact O-N 2.85Å; R485-L489 VanDerWaalsContact O-N 3.13Å; I486-L489 PolarHBondContact O-N 3.16Å; W487-L489 PolarHBondContact O-N 3.33Å; L489-L509 HydrophobicContact CB-CD1 3.87Å; L489-L509 HydrophobicContact CD1-CD1 4.29Å; L489-P520 HydrophobicContact CD1-CG 4.42Å; L489-L523 HydrophobicContact CB-CD1 4.5Å; L489-L523 HydrophobicContact CD2-CB 4.18Å
490S91.4Very high86.5Confident0 Ų059.3 Ų59.30%031%0.307CS..Hα-helixtrans-89.5-30.6-175.1-590000114.4I486 W487 V492 E502 A506I486-S490 WeakPolarHBondContact O-CB 3.44Å; I486-S490 PolarHBondContact O-N 2.89Å; I486-S490 PolarHBondContact O-OG 3.05Å; I486-S490 VanDerWaalsContact O-OG 3.06Å; W487-S490 PolarHBondContact O-N 3.04Å; S490-V492 VanDerWaalsContact C-N 3.3Å; S490-V492 PolarHBondContact O-N 3.49Å; S490-E502 VanDerWaalsContact O-CB 3.29Å; S490-E502 WeakPolarHBondContact O-CB 3.37Å; S490-E502 WeakPolarHBondContact O-CG 3.5Å; S490-A506 WeakPolarHBondContact OG-CA 3.38Å; S490-A506 WeakPolarHBondContact OG-CB 3.47Å; S490-A506 PolarHBondContact OG-N 2.93Å
491D90.3Very high87.4Confident16 Ų1655.1 Ų55.19%0.08628%0.284CS..  trans-79.678.1173.6-1789000109.2W487 R494 D495 G496 L498W487-D491 WeakPolarHBondContact O-CB 3.43Å; W487-D491 PolarHBondContact O-N 3.41Å; D491-R494 WeakPolarHBondContact OD1-CA 3.48Å; D491-R494 PolarHBondContact OD1-N 2.92Å; D491-D495 PolarHBondContact OD1-N 3.02Å; D491-G496 PolarHBondContact OD2-N 3.21Å; D491-L498 HydrophobicContact CB-CD2 4.18Å
492V89.1Confident88.3Confident45 Ų4550.4 Ų50.427%0.27325%0.251SS..SBendtrans-74.4-40-169.1175.10000110.8S490 R494 E502 L505 L523 K532S490-V492 VanDerWaalsContact C-N 3.3Å; S490-V492 PolarHBondContact O-N 3.49Å; V492-R494 VanDerWaalsContact C-N 3.34Å; V492-E502 PolarHBondContact N-OE1 2.8Å; V492-L505 HydrophobicContact CG2-CD2 4.2Å; V492-L523 HydrophobicContact CG2-CD2 3.87Å; V492-K532 HydrophobicContact CB-CD 3.83Å; V492-K532 HydrophobicContact CG1-CB 3.94Å; V492-K532 HydrophobicContact CG1-CD 4Å
493D85.9Confident89Confident72 Ų7249.1 Ų49.139%0.38524%0.243SC..SBendtrans-85.1-8176.566.617000113.6K463 D495 E502 K532K463-D493 IonicContact NZ-OD2 3.99Å; D493-D495 VanDerWaalsContact C-N 3.28Å; D493-D495 PolarHBondContact O-N 2.71Å; D493-D495 VanDerWaalsContact OD1-CG 3.29Å; D493-D495 PolarHBondContact OD1-N 3.38Å; D493-E502 PolarHBondContact N-OE1 3.18Å; D493-K532 VanDerWaalsContact CG-NZ 3.28Å; D493-K532 IonicContact OD1-NZ 3.71Å; D493-K532 IonicContact OD2-NZ 3.68Å; D493-K532 PolarHBondContact OD2-NZ 3.11Å
494R87.9Confident89.5Confident211 Ų21148.7 Ų48.780%0.79624%0.241SC*.  trans62.932173.6-55.2-178.2-176.7169.22.8113.1D491 V492 G496D491-R494 WeakPolarHBondContact OD1-CA 3.48Å; D491-R494 PolarHBondContact OD1-N 2.92Å; V492-R494 VanDerWaalsContact C-N 3.34Å; R494-G496 VanDerWaalsContact C-N 3.31Å
495D86.8Confident90.1Very high66 Ų6646.7 Ų46.735%0.35322%0.22SC..SBendtrans-85.8-6.3179.182.8-4.4000113.2K463 D491 D493 M497K463-D495 IonicContact NZ-OD2 2.59Å; K463-D495 PolarHBondContact NZ-OD2 2.82Å; D491-D495 PolarHBondContact OD1-N 3.02Å; D493-D495 VanDerWaalsContact C-N 3.28Å; D493-D495 PolarHBondContact O-N 2.71Å; D493-D495 VanDerWaalsContact OD1-CG 3.29Å; D493-D495 PolarHBondContact OD1-N 3.38Å; D495-M497 VanDerWaalsContact C-N 3.32Å; D495-M497 WeakPolarHBondContact OD1-CA 3.26Å; D495-M497 WeakPolarHBondContact OD1-CB 3.47Å; D495-M497 PolarHBondContact OD1-N 3.05Å
496G87.8Confident90.5Very high33 Ų3341.6 Ų41.634%0.3420%0.201SC..SBendtrans80.910.7178.500000114.3G466 D491 R494G466-G496 PolarHBondContact N-O 2.93Å; D491-G496 PolarHBondContact OD2-N 3.21Å; R494-G496 VanDerWaalsContact C-N 3.31Å
497M92.1Very high90.7Very high83 Ų8341.8 Ų41.841%0.40920%0.202SC..EExtended strand (participates in β ladder)trans-124.1172.4172.5-51.1-166.4-154.100108.8K463 L464 D495K463-M497 HydrophobicContact CB-CB 4.17Å; K463-M497 HydrophobicContact CB-SD 4.28Å; K463-M497 HydrophobicContact CD-CB 4.36Å; L464-M497 WeakPolarHBondContact O-CA 3.46Å; L464-M497 WeakPolarHBondContact O-CB 3.43Å; D495-M497 VanDerWaalsContact C-N 3.32Å; D495-M497 WeakPolarHBondContact OD1-CA 3.26Å; D495-M497 WeakPolarHBondContact OD1-CB 3.47Å; D495-M497 PolarHBondContact OD1-N 3.05Å
498L92.3Very high90.8Very high1 Ų140 Ų401%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-125.7124.1172.7-60.1174.8000108.7F454 L464 A469 W487 D491 E502 F503 A506F454-L498 WeakPolarHBondContact CE2-O 3.5Å; L464-L498 PolarHBondContact N-O 3.22Å; L464-L498 PolarHBondContact O-N 3.45Å; A469-L498 HydrophobicContact CB-CD1 3.92Å; W487-L498 HydrophobicContact CE3-CD1 4.21Å; W487-L498 HydrophobicContact CH2-CD1 4.49Å; W487-L498 HydrophobicContact CH2-CD2 4.43Å; W487-L498 HydrophobicContact CH2-CG 4.07Å; W487-L498 HydrophobicContact CZ3-CD1 3.71Å; W487-L498 HydrophobicContact CZ3-CD2 4.24Å; W487-L498 HydrophobicContact CZ3-CG 3.78Å; D491-L498 HydrophobicContact CB-CD2 4.18Å; L498-E502 HydrophobicContact CB-CB 4.16Å; L498-E502 HydrophobicContact CD2-CB 3.86Å; L498-F503 HydrophobicContact CB-CB 4.49Å; L498-A506 HydrophobicContact CD1-CB 4.43Å
499D93.4Very high90.8Very high20 Ų2031.8 Ų31.811%0.10716%0.16CC..  trans-77.1-177.8164.862.836.4000111.8K463 E501 E502 F503 K532K463-D499 HydrophobicContact CG-CB 4.36Å; D499-E501 VanDerWaalsContact C-N 3.31Å; D499-E501 PolarHBondContact O-N 2.97Å; D499-E501 PolarHBondContact OD1-N 2.99Å; D499-E501 VanDerWaalsContact OD1-N 3.13Å; D499-E502 PolarHBondContact N-OE2 3.43Å; D499-E502 PolarHBondContact O-N 3.44Å; D499-E502 WeakPolarHBondContact OD1-CB 3.29Å; D499-E502 WeakPolarHBondContact OD1-CG 3.36Å; D499-E502 PolarHBondContact OD1-N 2.98Å; D499-F503 WeakPolarHBondContact O-CB 3.4Å; D499-F503 PolarHBondContact O-N 3.03Å; D499-K532 IonicContact OD1-NZ 3.86Å; D499-K532 WeakPolarHBondContact OD2-CE 3.49Å; D499-K532 IonicContact OD2-NZ 2.78Å; D499-K532 PolarHBondContact OD2-NZ 3.13Å
500D92Very high91Very high45 Ų4531.3 Ų31.324%0.24116%0.157CC..Hα-helixtrans-64.3-34.2-176.363.7-61.8000112.7K447 F454 A504K447-D500 IonicContact NZ-OD2 2.75Å; K447-D500 PolarHBondContact NZ-OD2 2.93Å; F454-D500 HydrophobicContact CD1-CB 3.93Å; F454-D500 HydrophobicContact CE1-CB 3.79Å; F454-D500 HydrophobicContact CZ-CB 4.3Å; D500-A504 WeakPolarHBondContact O-CB 3.43Å; D500-A504 PolarHBondContact O-N 2.9Å; D500-A504 VanDerWaalsContact O-N 3.08Å
501E92.8Very high90.8Very high32 Ų3233.9 Ų33.915%0.1517%0.17CC..Hα-helixtrans-76.2-40.6177.4-59.3-170.3140.900112.1W441 D499 F503 A504 L505 P529 S531W441-E501 HydrophobicContact CH2-CB 3.87Å; W441-E501 HydrophobicContact CH2-CG 4.44Å; W441-E501 VanDerWaalsContact CH2-O 3.29Å; W441-E501 WeakPolarHBondContact CH2-O 3.21Å; W441-E501 HydrophobicContact CZ3-CB 4.35Å; W441-E501 HydrophobicContact CZ3-CG 4.44Å; D499-E501 VanDerWaalsContact C-N 3.31Å; D499-E501 PolarHBondContact O-N 2.97Å; D499-E501 PolarHBondContact OD1-N 2.99Å; D499-E501 VanDerWaalsContact OD1-N 3.13Å; E501-F503 VanDerWaalsContact C-N 3.34Å; E501-A504 PolarHBondContact O-N 3.08Å; E501-L505 PolarHBondContact O-N 3.46Å; E501-P529 HydrophobicContact CB-CB 3.76Å; E501-P529 HydrophobicContact CB-CG 4.11Å; E501-P529 VanDerWaalsContact OE2-CB 3.3Å; E501-P529 WeakPolarHBondContact OE2-CB 3.47Å; E501-S531 WeakPolarHBondContact OE2-CB 3.14Å; E501-S531 PolarHBondContact OE2-OG 3.05Å
502E93.6Very high90.5Very high0 Ų033.7 Ų33.70%017%0.169CC..Hα-helixtrans-67.3-35.8175.2-71-179.6144.600112.5S490 V492 D493 L498 D499 L505 A506 K532S490-E502 VanDerWaalsContact O-CB 3.29Å; S490-E502 WeakPolarHBondContact O-CB 3.37Å; S490-E502 WeakPolarHBondContact O-CG 3.5Å; V492-E502 PolarHBondContact N-OE1 2.8Å; D493-E502 PolarHBondContact N-OE1 3.18Å; L498-E502 HydrophobicContact CB-CB 4.16Å; L498-E502 HydrophobicContact CD2-CB 3.86Å; D499-E502 PolarHBondContact N-OE2 3.43Å; D499-E502 PolarHBondContact O-N 3.44Å; D499-E502 WeakPolarHBondContact OD1-CB 3.29Å; D499-E502 WeakPolarHBondContact OD1-CG 3.36Å; D499-E502 PolarHBondContact OD1-N 2.98Å; E502-L505 WeakPolarHBondContact O-CB 3.28Å; E502-L505 PolarHBondContact O-N 3.13Å; E502-A506 WeakPolarHBondContact O-CB 3.47Å; E502-A506 PolarHBondContact O-N 2.65Å; E502-K532 HydrophobicContact CG-CD 4.27Å; E502-K532 IonicContact OE1-NZ 2.72Å; E502-K532 PolarHBondContact OE1-NZ 3.27Å; E502-K532 IonicContact OE2-NZ 3.91Å; E502-K532 PolarHBondContact OE2-NZ 2.97Å
503F93.8Very high90.1Very high0 Ų034.5 Ų34.50%017%0.169CC..Hα-helixtrans-66.6-41173.6-175-91000111.7I453 F454 L457 L464 W472 L498 D499 E501 L505 A506 S507I453-F503 HydrophobicContact CB-CE1 4.14Å; I453-F503 HydrophobicContact CB-CZ 4.47Å; I453-F503 HydrophobicContact CG2-CE1 3.99Å; I453-F503 HydrophobicContact CG2-CZ 3.82Å; F454-F503 HydrophobicContact CB-CD1 3.66Å; F454-F503 HydrophobicContact CB-CE1 3.96Å; F454-F503 HydrophobicContact CB-CG 4.16Å; F454-F503 HydrophobicContact CD2-CB 3.52Å; F454-F503 AromaticContact CD2-CD1 3.9Å; F454-F503 HydrophobicContact CD2-CD1 3.9Å; F454-F503 AromaticContact CD2-CD2 3.86Å; F454-F503 HydrophobicContact CD2-CD2 3.86Å; F454-F503 AromaticContact CD2-CG 3.47Å; F454-F503 HydrophobicContact CD2-CG 3.47Å; F454-F503 VanDerWaalsContact CD2-CG 3.47Å; F454-F503 HydrophobicContact CE2-CB 3.93Å; F454-F503 HydrophobicContact CE2-CG 4.28Å; F454-F503 HydrophobicContact CG-CB 4.36Å; F454-F503 HydrophobicContact CG-CD1 4.22Å; F454-F503 HydrophobicContact CG-CG 4.24Å; L457-F503 HydrophobicContact CD1-CE2 3.73Å; L457-F503 HydrophobicContact CD1-CZ 3.69Å; L464-F503 HydrophobicContact CD2-CD2 3.88Å; L464-F503 HydrophobicContact CD2-CE2 3.83Å; W472-F503 AromaticContact CD2-CE2 3.84Å; W472-F503 HydrophobicContact CD2-CE2 3.84Å; W472-F503 AromaticContact CD2-CZ 3.79Å; W472-F503 HydrophobicContact CD2-CZ 3.79Å; W472-F503 AromaticContact CE2-CZ 3.66Å; W472-F503 AromaticContact CE3-CE2 3.56Å; W472-F503 HydrophobicContact CE3-CE2 3.56Å; W472-F503 AromaticContact CE3-CZ 3.86Å; W472-F503 HydrophobicContact CE3-CZ 3.86Å; W472-F503 HydrophobicContact CH2-CE1 4.35Å; W472-F503 HydrophobicContact CH2-CE2 4.1Å; W472-F503 AromaticContact CH2-CZ 3.74Å; W472-F503 HydrophobicContact CH2-CZ 3.74Å; W472-F503 HydrophobicContact CZ2-CE1 4.32Å; W472-F503 HydrophobicContact CZ2-CE2 4.34Å; W472-F503 AromaticContact CZ2-CZ 3.65Å; W472-F503 HydrophobicContact CZ2-CZ 3.65Å; W472-F503 HydrophobicContact CZ3-CD2 4.49Å; W472-F503 AromaticContact CZ3-CE2 3.71Å; W472-F503 HydrophobicContact CZ3-CE2 3.71Å; W472-F503 AromaticContact CZ3-CZ 3.84Å; W472-F503 HydrophobicContact CZ3-CZ 3.84Å; L498-F503 HydrophobicContact CB-CB 4.49Å; D499-F503 WeakPolarHBondContact O-CB 3.4Å; D499-F503 PolarHBondContact O-N 3.03Å; E501-F503 VanDerWaalsContact C-N 3.34Å; F503-L505 VanDerWaalsContact C-N 3.33Å; F503-A506 PolarHBondContact O-N 3.18Å; F503-S507 WeakPolarHBondContact CE1-OG 3.37Å; F503-S507 WeakPolarHBondContact O-CB 3.33Å; F503-S507 PolarHBondContact O-N 2.86Å; F503-S507 PolarHBondContact O-OG 3.47Å
504A92.7Very high89.8Confident0 Ų036 Ų360%018%0.177CC..Hα-helixtrans-63-40.7173.600000111.3W441 V443 Y450 D500 E501 S507 H508W441-A504 HydrophobicContact CH2-CB 3.94Å; V443-A504 HydrophobicContact CG1-CB 3.76Å; V443-A504 WeakPolarHBondContact CG1-O 3.34Å; Y450-A504 HydrophobicContact CD2-CB 3.85Å; Y450-A504 HydrophobicContact CG-CB 4.3Å; D500-A504 WeakPolarHBondContact O-CB 3.43Å; D500-A504 PolarHBondContact O-N 2.9Å; D500-A504 VanDerWaalsContact O-N 3.08Å; E501-A504 PolarHBondContact O-N 3.08Å; A504-S507 PolarHBondContact O-N 3.42Å; A504-H508 WeakPolarHBondContact O-CB 3.21Å; A504-H508 PolarHBondContact O-N 3.23Å
505L92.5Very high89.6Confident0 Ų032.5 Ų32.50%017%0.169CC..Hα-helixtrans-61.4-46.1172.6177.258.3000112.1W441 V492 E501 E502 F503 S507 H508 L509 L523 L527 P529W441-L505 HydrophobicContact CZ2-CB 4.24Å; V492-L505 HydrophobicContact CG2-CD2 4.2Å; E501-L505 PolarHBondContact O-N 3.46Å; E502-L505 WeakPolarHBondContact O-CB 3.28Å; E502-L505 PolarHBondContact O-N 3.13Å; F503-L505 VanDerWaalsContact C-N 3.33Å; L505-S507 VanDerWaalsContact C-N 3.31Å; L505-S507 PolarHBondContact O-N 2.86Å; L505-H508 PolarHBondContact O-N 3.34Å; L505-L509 HydrophobicContact CD1-CD1 4.23Å; L505-L509 HydrophobicContact CD1-CG 4.21Å; L505-L509 HydrophobicContact CG-CD1 4.27Å; L505-L509 WeakPolarHBondContact O-CG 3.22Å; L505-L509 PolarHBondContact O-N 2.87Å; L505-L523 HydrophobicContact CD1-CD1 4.09Å; L505-L523 HydrophobicContact CD2-CD1 3.93Å; L505-L523 HydrophobicContact CD2-CD2 3.7Å; L505-L523 HydrophobicContact CD2-CG 4.49Å; L505-L527 HydrophobicContact CD1-CB 4.11Å; L505-L527 HydrophobicContact CD1-CD2 4.47Å; L505-P529 HydrophobicContact CD2-CG 4.46Å
506A93.1Very high88.8Confident0 Ų032.3 Ų32.30%018%0.183CC..Hα-helixtrans-60-43176.500000111.7I486 S490 L498 E502 F503 L509 I510I486-A506 HydrophobicContact CG2-CB 4.29Å; S490-A506 WeakPolarHBondContact OG-CA 3.38Å; S490-A506 WeakPolarHBondContact OG-CB 3.47Å; S490-A506 PolarHBondContact OG-N 2.93Å; L498-A506 HydrophobicContact CD1-CB 4.43Å; E502-A506 WeakPolarHBondContact O-CB 3.47Å; E502-A506 PolarHBondContact O-N 2.65Å; F503-A506 PolarHBondContact O-N 3.18Å; A506-L509 PolarHBondContact O-N 2.88Å; A506-I510 WeakPolarHBondContact O-CD1 3.15Å; A506-I510 WeakPolarHBondContact O-CG1 2.96Å; A506-I510 PolarHBondContact O-N 3.45Å
507S92.4Very high88.3Confident3 Ų334.9 Ų34.92%0.02119%0.186CC..Hα-helixtrans-64.2-44.3178.7-57.70000111.7Y450 W472 F503 A504 L505 I510 E511Y450-S507 VanDerWaalsContact CE1-CB 3.4Å; W472-S507 VanDerWaalsContact CH2-OG 3.27Å; W472-S507 WeakPolarHBondContact CH2-OG 3.29Å; F503-S507 WeakPolarHBondContact CE1-OG 3.37Å; F503-S507 WeakPolarHBondContact O-CB 3.33Å; F503-S507 PolarHBondContact O-N 2.86Å; F503-S507 PolarHBondContact O-OG 3.47Å; A504-S507 PolarHBondContact O-N 3.42Å; L505-S507 VanDerWaalsContact C-N 3.31Å; L505-S507 PolarHBondContact O-N 2.86Å; S507-I510 WeakPolarHBondContact O-CB 3.46Å; S507-I510 PolarHBondContact O-N 3.13Å; S507-E511 PolarHBondContact O-N 2.52Å
508H91Very high87.4Confident23 Ų2333.2 Ų33.211%0.10619%0.19CC..Hα-helixtrans-61.6-45.6175.4-17970.4000112.3V443 Y450 A504 L505 I510 E511 V512V443-H508 HydrophobicContact CG1-CB 4.13Å; V443-H508 HydrophobicContact CG2-CB 3.89Å; Y450-H508 HydrophobicContact CE2-CB 4.34Å; A504-H508 WeakPolarHBondContact O-CB 3.21Å; A504-H508 PolarHBondContact O-N 3.23Å; L505-H508 PolarHBondContact O-N 3.34Å; H508-I510 VanDerWaalsContact C-N 3.26Å; H508-I510 PolarHBondContact O-N 3.08Å; H508-E511 PolarHBondContact O-N 3.27Å; H508-V512 WeakPolarHBondContact O-CB 3.49Å; H508-V512 VanDerWaalsContact O-CG2 3.28Å; H508-V512 WeakPolarHBondContact O-CG2 3.3Å; H508-V512 PolarHBondContact O-N 2.78Å
509L89.7Confident86.6Confident0 Ų033.9 Ų33.90%019%0.194CC..Hα-helixtrans-63.7-31.6176.7-70.1176.2000112.8I486 L489 L505 A506 K513 L519 L527I486-L509 HydrophobicContact CD1-CB 4.5Å; I486-L509 HydrophobicContact CG1-CB 4.28Å; I486-L509 HydrophobicContact CG2-CB 3.95Å; I486-L509 HydrophobicContact CG2-CD1 4.25Å; L489-L509 HydrophobicContact CB-CD1 3.87Å; L489-L509 HydrophobicContact CD1-CD1 4.29Å; L505-L509 HydrophobicContact CD1-CD1 4.23Å; L505-L509 HydrophobicContact CD1-CG 4.21Å; L505-L509 HydrophobicContact CG-CD1 4.27Å; L505-L509 WeakPolarHBondContact O-CG 3.22Å; L505-L509 PolarHBondContact O-N 2.87Å; A506-L509 PolarHBondContact O-N 2.88Å; L509-K513 VanDerWaalsContact O-CB 3.27Å; L509-K513 WeakPolarHBondContact O-CB 3.44Å; L509-K513 PolarHBondContact O-N 3.23Å; L509-K513 VanDerWaalsContact O-N 3.14Å; L509-L519 HydrophobicContact CB-CD2 4.15Å; L509-L519 HydrophobicContact CD2-CD2 4.22Å; L509-L527 HydrophobicContact CD2-CD1 4.33Å
510I89.7Confident85.9Confident7 Ų733.2 Ų33.24%0.03619%0.19CC..Hα-helixtrans-68.4-46.8173.2-72.7166.5000110.5W472 M473 T476 L478 I486 A506 S507 H508 K513 L514W472-I510 HydrophobicContact CH2-CD1 3.83Å; W472-I510 HydrophobicContact CZ3-CD1 3.66Å; M473-I510 HydrophobicContact CE-CD1 4.47Å; M473-I510 HydrophobicContact CG-CD1 4.19Å; T476-I510 HydrophobicContact CG2-CD1 4.24Å; T476-I510 HydrophobicContact CG2-CG2 3.94Å; L478-I510 HydrophobicContact CD1-CB 4.31Å; L478-I510 HydrophobicContact CD1-CG1 4.15Å; L478-I510 HydrophobicContact CD1-CG2 3.95Å; I486-I510 HydrophobicContact CD1-CG1 3.68Å; I486-I510 HydrophobicContact CG2-CG1 4.3Å; A506-I510 WeakPolarHBondContact O-CD1 3.15Å; A506-I510 WeakPolarHBondContact O-CG1 2.96Å; A506-I510 PolarHBondContact O-N 3.45Å; S507-I510 WeakPolarHBondContact O-CB 3.46Å; S507-I510 PolarHBondContact O-N 3.13Å; H508-I510 VanDerWaalsContact C-N 3.26Å; H508-I510 PolarHBondContact O-N 3.08Å; I510-K513 PolarHBondContact O-N 3.42Å; I510-K513 VanDerWaalsContact O-N 3.16Å; I510-L514 HydrophobicContact CG2-CD1 3.85Å; I510-L514 HydrophobicContact CG2-CG 4.38Å; I510-L514 WeakPolarHBondContact O-CG 3.46Å; I510-L514 PolarHBondContact O-N 3.4Å
511E87.9Confident84.7Confident55 Ų5536.3 Ų36.326%0.25721%0.213SC..Hα-helixtrans-61-49.8178.6-72.7-168.3178.300111.4K449 Y450 S507 H508 K513 L514 E515K449-E511 IonicContact NZ-OE1 3.02Å; K449-E511 PolarHBondContact NZ-OE1 2.77Å; K449-E511 IonicContact NZ-OE2 2.71Å; Y450-E511 PolarHBondContact OH-OE2 2.72Å; S507-E511 PolarHBondContact O-N 2.52Å; H508-E511 PolarHBondContact O-N 3.27Å; E511-K513 PolarHBondContact O-N 2.92Å; E511-K513 VanDerWaalsContact O-N 3.15Å; E511-L514 PolarHBondContact O-N 3.16Å; E511-E515 WeakPolarHBondContact O-CG 3.4Å; E511-E515 PolarHBondContact O-N 3.47Å
512V83.9Confident84Confident12 Ų1242.4 Ų42.47%0.07324%0.241CC..Hα-helixtrans-51.3-41.9173.1165.60000111.1F427 H508 E515 G516 H517F427-V512 HydrophobicContact CE2-CG1 3.94Å; F427-V512 HydrophobicContact CZ-CG1 3.68Å; F427-V512 HydrophobicContact CZ-CG2 4.13Å; H508-V512 WeakPolarHBondContact O-CB 3.49Å; H508-V512 VanDerWaalsContact O-CG2 3.28Å; H508-V512 WeakPolarHBondContact O-CG2 3.3Å; H508-V512 PolarHBondContact O-N 2.78Å; V512-E515 PolarHBondContact O-N 2.59Å; V512-G516 PolarHBondContact O-N 3.42Å; V512-H517 HydrophobicContact CG1-CB 3.64Å; V512-H517 WeakPolarHBondContact O-CB 3.36Å; V512-H517 PolarHBondContact O-N 2.82Å; V512-H517 VanDerWaalsContact O-N 3.08Å
513K80.7Confident83.4Confident61 Ų6144 Ų4427%0.26525%0.25SC..Hα-helixtrans-73.7-33.7-178.8-167.250.4171.5175.90113.1L478 V482 L509 I510 E511 E515 G516 H517 L519L478-K513 HydrophobicContact CD1-CB 4.22Å; L478-K513 HydrophobicContact CD1-CG 4.23Å; L478-K513 HydrophobicContact CD2-CG 4.09Å; V482-K513 HydrophobicContact CG1-CD 4.35Å; V482-K513 HydrophobicContact CG1-CG 3.67Å; L509-K513 VanDerWaalsContact O-CB 3.27Å; L509-K513 WeakPolarHBondContact O-CB 3.44Å; L509-K513 PolarHBondContact O-N 3.23Å; L509-K513 VanDerWaalsContact O-N 3.14Å; I510-K513 PolarHBondContact O-N 3.42Å; I510-K513 VanDerWaalsContact O-N 3.16Å; E511-K513 PolarHBondContact O-N 2.92Å; E511-K513 VanDerWaalsContact O-N 3.15Å; K513-E515 VanDerWaalsContact C-N 3.34Å; K513-G516 PolarHBondContact O-N 3.23Å; K513-H517 WeakPolarHBondContact CD-O 3.38Å; K513-H517 PolarHBondContact NZ-O 3.07Å; K513-L519 HydrophobicContact CB-CD2 4.33Å; K513-L519 HydrophobicContact CD-CG 4.2Å
514L79.9Confident82.8Confident105 Ų10545.5 Ų45.555%0.5526%0.26SS..Hα-helixtrans-71.1-30.5174.5-72.5170.8000112.1L478 I510 E511 G516L478-L514 HydrophobicContact CD2-CD2 3.77Å; L478-L514 HydrophobicContact CD2-CG 4.29Å; L478-L514 HydrophobicContact CG-CD2 4.14Å; I510-L514 HydrophobicContact CG2-CD1 3.85Å; I510-L514 HydrophobicContact CG2-CG 4.38Å; I510-L514 WeakPolarHBondContact O-CG 3.46Å; I510-L514 PolarHBondContact O-N 3.4Å; E511-L514 PolarHBondContact O-N 3.16Å; L514-G516 PolarHBondContact O-N 2.82Å
515E82.9Confident82.1Confident136 Ų13651.7 Ų51.764%0.63629%0.293SS*.THydrogen-bonded Turntrans-72.2-6.3172.1-70.417517300113.2E511 V512 K513E511-E515 WeakPolarHBondContact O-CG 3.4Å; E511-E515 PolarHBondContact O-N 3.47Å; V512-E515 PolarHBondContact O-N 2.59Å; K513-E515 VanDerWaalsContact C-N 3.34Å
516G70.9Confident81.6Confident62 Ų6254.6 Ų54.664%0.63930%0.304SS*.THydrogen-bonded Turntrans98.33.9174.200000114.5V512 K513 L514V512-G516 PolarHBondContact O-N 3.42Å; K513-G516 PolarHBondContact O-N 3.23Å; L514-G516 PolarHBondContact O-N 2.82Å
517H76.4Confident81.2Confident87 Ų8754.6 Ų54.640%0.40330%0.304SS..PPolyproline II helixtrans-79.1159.6-179.2-64-75.8000113.2V512 K513V512-H517 HydrophobicContact CG1-CB 3.64Å; V512-H517 WeakPolarHBondContact O-CB 3.36Å; V512-H517 PolarHBondContact O-N 2.82Å; V512-H517 VanDerWaalsContact O-N 3.08Å; K513-H517 WeakPolarHBondContact CD-O 3.38Å; K513-H517 PolarHBondContact NZ-O 3.07Å
518G72.9Confident80.9Confident49 Ų4955.9 Ų55.951%0.50531%0.31SS..PPolyproline II helixtrans-72.1150.4173.200000111.8
519L77.1Confident80.8Confident15 Ų1554.8 Ų54.88%0.07931%0.305CS..PPolyproline II helixtrans-87.3140.3167.4-67.3172.7000108.6V482 R485 I486 L509 K513V482-L519 HydrophobicContact CG1-CD1 3.83Å; R485-L519 HydrophobicContact CB-CD1 4.38Å; R485-L519 HydrophobicContact CG-CD1 4.32Å; R485-L519 PolarHBondContact NH2-O 3.34Å; I486-L519 HydrophobicContact CD1-CD1 4.11Å; I486-L519 HydrophobicContact CD1-CD2 4.28Å; I486-L519 HydrophobicContact CG1-CD1 3.53Å; I486-L519 HydrophobicContact CG1-CD2 3.95Å; I486-L519 HydrophobicContact CG1-CG 4.41Å; L509-L519 HydrophobicContact CB-CD2 4.15Å; L509-L519 HydrophobicContact CD2-CD2 4.22Å; K513-L519 HydrophobicContact CB-CD2 4.33Å; K513-L519 HydrophobicContact CD-CG 4.2Å
520P77.9Confident80.6Confident5 Ų557.7 Ų57.73%0.03232%0.324CS..PPolyproline II helixtrans-67.1150.5178.829.7-36.1000111.2F427 R485 L489 E522 P524F427-P520 HydrophobicContact CD2-CB 4.49Å; R485-P520 PolarHBondContact NH2-O 3.36Å; L489-P520 HydrophobicContact CD1-CG 4.42Å; P520-E522 VanDerWaalsContact C-N 3.34Å; P520-E522 WeakPolarHBondContact CB-O 3.45Å; P520-P524 HydrophobicContact CB-CG 4.45Å
521P67.1Low80.3Confident111 Ų11161.4 Ų61.472%0.72135%0.35SS*.SBendtrans-67.6-34.617926.1-32.3000112.5R485R485-P521 VanDerWaalsContact NH2-CA 3.31Å
522E77.1Confident80Confident159 Ų15960.6 Ų60.674%0.74335%0.346SS*.SBendtrans-135.8155.4175-62.8-172.8164.800108.9P520 P524P520-E522 VanDerWaalsContact C-N 3.34Å; P520-E522 WeakPolarHBondContact CB-O 3.45Å; E522-P524 WeakPolarHBondContact O-CD 3.45Å
523L80.9Confident80Confident35 Ų3564.2 Ų64.218%0.18336%0.358CS..  trans-74.4114.6-177.1-168.771.7000110.2L489 V492 L505 L527 I528L489-L523 HydrophobicContact CB-CD1 4.5Å; L489-L523 HydrophobicContact CD2-CB 4.18Å; V492-L523 HydrophobicContact CG2-CD2 3.87Å; L505-L523 HydrophobicContact CD1-CD1 4.09Å; L505-L523 HydrophobicContact CD2-CD1 3.93Å; L505-L523 HydrophobicContact CD2-CD2 3.7Å; L505-L523 HydrophobicContact CD2-CG 4.49Å; L523-L527 HydrophobicContact CD1-CB 3.74Å; L523-L527 HydrophobicContact CD1-CD1 4.28Å; L523-L527 HydrophobicContact CG-CB 4.17Å; L523-I528 HydrophobicContact CD2-CG1 3.85Å; L523-I528 HydrophobicContact CG-CG1 4.22Å
524P81.8Confident79.4Confident31 Ų3172.9 Ų72.920%0.20139%0.389CS..  trans-64.9151.2176.5-16.129.3000111.9F427 P520 E522 R526 L527 I528F427-P524 HydrophobicContact CB-CG 4.07Å; P520-P524 HydrophobicContact CB-CG 4.45Å; E522-P524 WeakPolarHBondContact O-CD 3.45Å; P524-R526 HydrophobicContact CB-CG 4.35Å; P524-R526 PolarHBondContact O-N 3.33Å; P524-R526 VanDerWaalsContact O-N 3.14Å; P524-L527 HydrophobicContact CG-CD1 4.4Å; P524-L527 PolarHBondContact O-N 3.42Å; P524-I528 PolarHBondContact O-N 3.12Å
525N78.8Confident78.1Confident130 Ų13076 Ų7670%0.69540%0.401SS*.G310 helixtrans-54-37.9-177.2-73.7-28.6000113.6L527 I528N525-L527 PolarHBondContact O-N 3.29Å; N525-I528 WeakPolarHBondContact O-CB 3.04Å; N525-I528 PolarHBondContact O-N 3.21Å; N525-I528 VanDerWaalsContact O-N 3.16Å
526R80.4Confident76.4Confident61 Ų6180.3 Ų80.323%0.2342%0.418CS..G310 helixtrans-66.6-20.8178.468.3-179.8-179.7-159.74.5115P426 F427 W441 V442 P524P426-R526 VanDerWaalsContact C-NH2 3.26Å; P426-R526 PolarHBondContact O-NH2 2.9Å; F427-R526 PolarHBondContact O-NH2 3.1Å; W441-R526 VanDerWaalsContact CD1-O 3.28Å; V442-R526 HydrophobicContact CG2-CB 4.37Å; V442-R526 HydrophobicContact CG2-CG 4.24Å; P524-R526 HydrophobicContact CB-CG 4.35Å; P524-R526 PolarHBondContact O-N 3.33Å; P524-R526 VanDerWaalsContact O-N 3.14Å
527L84.8Confident75.3Confident0 Ų080.5 Ų80.50%042%0.42CS..G310 helixtrans-93.9-12.5175.2-72.2-178.1000112.8F427 W441 V442 V443 L505 L509 L523 P524 N525 P529F427-L527 HydrophobicContact CD1-CD1 3.71Å; F427-L527 HydrophobicContact CD1-CG 4.48Å; F427-L527 HydrophobicContact CE1-CD1 3.78Å; W441-L527 PolarHBondContact NE1-O 3.17Å; V442-L527 HydrophobicContact CB-CD2 4Å; V442-L527 HydrophobicContact CG1-CD2 4.47Å; V442-L527 HydrophobicContact CG2-CD2 4.27Å; V443-L527 HydrophobicContact CG2-CD2 4.49Å; L505-L527 HydrophobicContact CD1-CB 4.11Å; L505-L527 HydrophobicContact CD1-CD2 4.47Å; L509-L527 HydrophobicContact CD2-CD1 4.33Å; L523-L527 HydrophobicContact CD1-CB 3.74Å; L523-L527 HydrophobicContact CD1-CD1 4.28Å; L523-L527 HydrophobicContact CG-CB 4.17Å; P524-L527 HydrophobicContact CG-CD1 4.4Å; P524-L527 PolarHBondContact O-N 3.42Å; N525-L527 PolarHBondContact O-N 3.29Å; L527-P529 WeakPolarHBondContact O-CD 3.46Å
528I87Confident73.5Confident29 Ų2980.8 Ų80.815%0.14943%0.432CS..SBendtrans-67.1125.8175.4-57.7178.1000108.8L523 P524 N525 K532 R533L523-I528 HydrophobicContact CD2-CG1 3.85Å; L523-I528 HydrophobicContact CG-CG1 4.22Å; P524-I528 PolarHBondContact O-N 3.12Å; N525-I528 WeakPolarHBondContact O-CB 3.04Å; N525-I528 PolarHBondContact O-N 3.21Å; N525-I528 VanDerWaalsContact O-N 3.16Å; I528-K532 HydrophobicContact CG2-CB 4.28Å; I528-R533 HydrophobicContact CB-CG 4.17Å; I528-R533 HydrophobicContact CG2-CG 3.94Å; I528-R533 PolarHBondContact O-NE 2.86Å
529P88.3Confident71.7Confident0 Ų086.8 Ų86.80%045%0.452CS..  trans-49.4135.9174.1-31.137.9000112.1W441 E501 L505 L527 S531 K532 R533W441-P529 HydrophobicContact CZ2-CB 4.32Å; W441-P529 HydrophobicContact CZ2-CG 4.04Å; E501-P529 HydrophobicContact CB-CB 3.76Å; E501-P529 HydrophobicContact CB-CG 4.11Å; E501-P529 VanDerWaalsContact OE2-CB 3.3Å; E501-P529 WeakPolarHBondContact OE2-CB 3.47Å; L505-P529 HydrophobicContact CD2-CG 4.46Å; L527-P529 WeakPolarHBondContact O-CD 3.46Å; P529-S531 PolarHBondContact O-N 2.9Å; P529-S531 VanDerWaalsContact O-N 3.16Å; P529-K532 CarbonylContact O-C 3.6Å; P529-K532 PolarHBondContact O-N 3.21Å; P529-K532 WeakPolarHBondContact O-CA 3.38Å; P529-K532 HydrophobicContact CB-CG 4.24Å; P529-K532 HydrophobicContact CB-CB 4.34Å; P529-R533 PolarHBondContact O-N 3.38Å
530P85.3Confident69.7Low62 Ų6294.6 Ų94.640%0.40352%0.519SS..G310 helixtrans-52.6-39.4-177-28.635.8000113.6W441 K532 R533W441-P530 HydrophobicContact CB-CG 3.81Å; W441-P530 HydrophobicContact CD2-CG 4.42Å; W441-P530 HydrophobicContact CE3-CG 4.46Å; W441-P530 HydrophobicContact CG-CG 4.19Å; P530-K532 PolarHBondContact O-N 2.75Å; P530-R533 PolarHBondContact O-N 2.79Å
531S83.9Confident69.3Low85 Ų8599.1 Ų99.159%0.59454%0.543SS*.G310 helixtrans-66.4-21.7178.874.20000113.8E501 P529E501-S531 WeakPolarHBondContact OE2-CB 3.14Å; E501-S531 PolarHBondContact OE2-OG 3.05Å; P529-S531 PolarHBondContact O-N 2.9Å; P529-S531 VanDerWaalsContact O-N 3.16Å
532K82.4Confident69.4Low38 Ų3898.5 Ų98.517%0.16553%0.534CS..G310 helixtrans-106.92.5-176.2-52.9-165-175.1-152.60113.3V492 D493 D499 E502 I528 P529 P530 R534V492-K532 HydrophobicContact CB-CD 3.83Å; V492-K532 HydrophobicContact CG1-CB 3.94Å; V492-K532 HydrophobicContact CG1-CD 4Å; D493-K532 VanDerWaalsContact CG-NZ 3.28Å; D493-K532 IonicContact OD1-NZ 3.71Å; D493-K532 IonicContact OD2-NZ 3.68Å; D493-K532 PolarHBondContact OD2-NZ 3.11Å; D499-K532 IonicContact OD1-NZ 3.86Å; D499-K532 WeakPolarHBondContact OD2-CE 3.49Å; D499-K532 IonicContact OD2-NZ 2.78Å; D499-K532 PolarHBondContact OD2-NZ 3.13Å; E502-K532 HydrophobicContact CG-CD 4.27Å; E502-K532 IonicContact OE1-NZ 2.72Å; E502-K532 PolarHBondContact OE1-NZ 3.27Å; E502-K532 IonicContact OE2-NZ 3.91Å; E502-K532 PolarHBondContact OE2-NZ 2.97Å; I528-K532 HydrophobicContact CG2-CB 4.28Å; P529-K532 CarbonylContact O-C 3.6Å; P529-K532 PolarHBondContact O-N 3.21Å; P529-K532 WeakPolarHBondContact O-CA 3.38Å; P529-K532 HydrophobicContact CB-CG 4.24Å; P529-K532 HydrophobicContact CB-CB 4.34Å; P530-K532 PolarHBondContact O-N 2.75Å; K532-R534 PolarHBondContact O-N 3.22Å
533R83.7Confident69Low88 Ų8895.1 Ų95.133%0.33252%0.522SS..SBendtrans-68.3127.2172.7-69.1179.4-177.3-178.2-2.8109.3E439 I528 P529 P530 Q535E439-R533 PolarHBondContact O-NH1 2.96Å; E439-R533 PolarHBondContact O-NH2 2.87Å; I528-R533 HydrophobicContact CB-CG 4.17Å; I528-R533 HydrophobicContact CG2-CG 3.94Å; I528-R533 PolarHBondContact O-NE 2.86Å; P529-R533 PolarHBondContact O-N 3.38Å; P530-R533 PolarHBondContact O-N 2.79Å; R533-Q535 PolarHBondContact O-N 3.47Å
534R66.9Low68.3Low243 Ų24398.6 Ų98.692%0.91754%0.542SS*.  trans-63.2119.8171.9-76.3-175.7171.5-174.4-3.5109.2K532 K536K532-R534 PolarHBondContact O-N 3.22Å; R534-K536 PolarHBondContact O-N 2.95Å; R534-K536 VanDerWaalsContact O-N 3.13Å
535Q52.5Low67.5Low170 Ų170102.9 Ų102.979%0.79456%0.564SS**  trans-61.8114.9170.6-75.7-176.9-5.100109.2R533 G537R533-Q535 PolarHBondContact O-N 3.47Å; Q535-G537 PolarHBondContact O-N 3.14Å
536K48.6Very low66.7Low226 Ų226101.1 Ų101.198%0.98356%0.555SS**SBendtrans-69.185.9162.5-93.4-177.8173.1176.40107.4R534R534-K536 PolarHBondContact O-N 2.95Å; R534-K536 VanDerWaalsContact O-N 3.13Å
537G47.2Very low65.7Low67 Ų67103.9 Ų103.969%0.69158%0.578SS**  trans157.944.8177.100000116.7Q535Q535-G537 PolarHBondContact O-N 3.14Å
538S38.7Very low64.3Low93 Ų93111.9 Ų111.965%0.6562%0.623SS**  trans-158.470.2160.266.90000110.8
539D34.8Very low62.4Low175 Ų175118.8 Ų118.894%0.93666%0.662SS**  trans-152.996.5149.9-87.6-31.5000105.4
540A36.1Very low60Low179 Ų179129.6 Ų129.6100%1.47972%0.722SS**  trans-90.2016700000109.4

Retrieved 540 of 540 residues in 382.4 ms (Link to these results)

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