A0A096LWM3_POEFO Loading...

Serine/threonine-protein phosphatase

AlphaFold DB (A0A3B4GXN7), UniProt , Accession A0A096LWM3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 327 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
1M37.6Very low77.7Confident236 Ų23693 Ų93100%1.16354%0.536SS*.  01210-70.2-168.8-79.600105.9E3M1-E3 PolarHBondContact O-N 2.88Å; M1-E3 VanDerWaalsContact O-N 3.16Å
2A38.3Very low79.4Confident103 Ų10386.4 Ų86.485%0.85150%0.497SS*.PPolyproline II helixtrans-58.1119.3177.400000108G4A2-G4 PolarHBondContact O-N 3Å
3E55.4Low80.8Confident137 Ų13784.6 Ų84.664%0.6449%0.493SS*.PPolyproline II helixtrans-61.8117.5168.9-71.7-176.6143.800106.2M1 R35M1-E3 PolarHBondContact O-N 2.88Å; M1-E3 VanDerWaalsContact O-N 3.16Å; E3-R35 IonicContact OE1-CZ 3.46Å; E3-R35 IonicContact OE1-NE 2.67Å; E3-R35 PolarHBondContact OE1-NE 3.25Å; E3-R35 IonicContact OE1-NH2 3.1Å; E3-R35 PolarHBondContact OE1-NH2 2.91Å
4G62.2Low82Confident71 Ų7182.6 Ų82.673%0.73247%0.473SS*.PPolyproline II helixtrans-56141.8174.900000109.8A2 L6A2-G4 PolarHBondContact O-N 3Å; G4-L6 PolarHBondContact O-N 2.96Å
5E80.2Confident83.1Confident194 Ų19477.1 Ų77.191%0.90744%0.441SS*.PPolyproline II helixtrans-56.9133.4176.8-167.9170.2-168.900110.1D7E5-D7 PolarHBondContact O-N 3.32Å; E5-D7 VanDerWaalsContact O-N 3.16Å
6L93.7Very high84Confident41 Ų4174.3 Ų74.322%0.21542%0.424CS..  trans-70.6108.1-178.4176.770.2000109.8G4 V8 E33 L37 K40 I111G4-L6 PolarHBondContact O-N 2.96Å; L6-V8 HydrophobicContact CD2-CG2 3.73Å; L6-V8 HydrophobicContact CG-CG2 3.8Å; L6-V8 PolarHBondContact O-N 2.89Å; L6-V8 VanDerWaalsContact O-N 3.13Å; L6-E33 HydrophobicContact CD1-CB 4.49Å; L6-L37 HydrophobicContact CD2-CD2 4.17Å; L6-K40 HydrophobicContact CD2-CG 4.31Å; L6-I111 HydrophobicContact CD2-CD1 4.27Å
7D96.7Very high84.6Confident96 Ų9677.9 Ų77.951%0.51344%0.436SS..  trans-80.889171.6-173.5-14.4000110.5E5 D9 S10 L11E5-D7 PolarHBondContact O-N 3.32Å; E5-D7 VanDerWaalsContact O-N 3.16Å; D7-D9 VanDerWaalsContact C-N 3.31Å; D7-D9 PolarHBondContact O-N 3.29Å; D7-D9 PolarHBondContact OD1-N 2.82Å; D7-S10 WeakPolarHBondContact OD1-CB 3.21Å; D7-S10 PolarHBondContact OD1-N 2.67Å; D7-S10 VanDerWaalsContact OD2-CB 3.29Å; D7-S10 WeakPolarHBondContact OD2-CB 3.47Å; D7-L11 PolarHBondContact O-N 3.25Å
8V97.4Very high85.1Confident18 Ų1874.6 Ų74.611%0.10942%0.418CS..Hα-helixtrans-65.6-34.2-178.8178.40000111.6L6 L11 I12 A108 I111 K112L6-V8 HydrophobicContact CD2-CG2 3.73Å; L6-V8 HydrophobicContact CG-CG2 3.8Å; L6-V8 PolarHBondContact O-N 2.89Å; L6-V8 VanDerWaalsContact O-N 3.13Å; V8-L11 PolarHBondContact O-N 3.01Å; V8-I12 HydrophobicContact CG1-CD1 3.77Å; V8-I12 HydrophobicContact CG1-CG1 4.22Å; V8-I12 VanDerWaalsContact O-CG1 3.32Å; V8-I12 WeakPolarHBondContact O-CG1 3.46Å; V8-I12 PolarHBondContact O-N 2.84Å; V8-A108 HydrophobicContact CG1-CB 4.14Å; V8-I111 HydrophobicContact CG2-CB 4.46Å; V8-I111 HydrophobicContact CG2-CG2 3.83Å; V8-K112 HydrophobicContact CG1-CB 4.24Å
9D97.8Very high85.2Confident77 Ų7776.5 Ų76.541%0.41242%0.418SS..Hα-helixtrans-70-42.1-177.3-71.9-25.2000111.6D7 L11 S13 K112D7-D9 VanDerWaalsContact C-N 3.31Å; D7-D9 PolarHBondContact O-N 3.29Å; D7-D9 PolarHBondContact OD1-N 2.82Å; D9-L11 VanDerWaalsContact C-N 3.31Å; D9-L11 PolarHBondContact O-N 2.84Å; D9-S13 WeakPolarHBondContact O-CB 3.23Å; D9-S13 PolarHBondContact O-N 2.82Å; D9-S13 PolarHBondContact O-OG 2.92Å; D9-K112 VanDerWaalsContact OD1-CD 3.31Å; D9-K112 WeakPolarHBondContact OD1-CD 3.48Å; D9-K112 WeakPolarHBondContact OD1-CE 3.1Å; D9-K112 IonicContact OD1-NZ 2.69Å; D9-K112 PolarHBondContact OD1-NZ 3.38Å; D9-K112 IonicContact OD2-NZ 2.82Å; D9-K112 PolarHBondContact OD2-NZ 3.04Å
10S97.6Very high85.1Confident50 Ų5077.1 Ų77.135%0.3544%0.443SS..Hα-helixtrans-61.3-39.7171.9174.80000112.2D7 S13 R14D7-S10 WeakPolarHBondContact OD1-CB 3.21Å; D7-S10 PolarHBondContact OD1-N 2.67Å; D7-S10 VanDerWaalsContact OD2-CB 3.29Å; D7-S10 WeakPolarHBondContact OD2-CB 3.47Å; S10-S13 PolarHBondContact O-N 2.85Å; S10-R14 PolarHBondContact O-N 2.85Å; S10-R14 VanDerWaalsContact O-N 3.12Å
11L97.8Very high85.3Confident0 Ų075.5 Ų75.50%044%0.436CS..Hα-helixtrans-70.6-43.6179.3-173.855.2000112.4D7 V8 D9 S13 R14 L15 M29 E33 L37D7-L11 PolarHBondContact O-N 3.25Å; V8-L11 PolarHBondContact O-N 3.01Å; D9-L11 VanDerWaalsContact C-N 3.31Å; D9-L11 PolarHBondContact O-N 2.84Å; L11-S13 VanDerWaalsContact C-N 3.31Å; L11-S13 PolarHBondContact O-N 3.08Å; L11-R14 PolarHBondContact O-N 3.03Å; L11-L15 HydrophobicContact CD1-CD1 4.28Å; L11-L15 HydrophobicContact CG-CD1 4.04Å; L11-L15 WeakPolarHBondContact O-CB 3.41Å; L11-L15 WeakPolarHBondContact O-CD1 3.37Å; L11-L15 WeakPolarHBondContact O-CG 3.48Å; L11-L15 PolarHBondContact O-N 3.18Å; L11-M29 HydrophobicContact CD1-CG 3.8Å; L11-M29 HydrophobicContact CD1-SD 4.11Å; L11-E33 HydrophobicContact CD2-CB 4.23Å; L11-L37 HydrophobicContact CD2-CD1 3.5Å; L11-L37 VanDerWaalsContact CD2-CD1 3.5Å; L11-L37 HydrophobicContact CD2-CD2 4.02Å; L11-L37 HydrophobicContact CD2-CG 3.75Å
12I98.5Very high87.7Confident14 Ų1474.8 Ų74.87%0.07242%0.42CS..Hα-helixtrans-58.3-46.7173-70.3171.3000109.8V8 R14 L15 L16 A108 Y109 K112V8-I12 HydrophobicContact CG1-CD1 3.77Å; V8-I12 HydrophobicContact CG1-CG1 4.22Å; V8-I12 VanDerWaalsContact O-CG1 3.32Å; V8-I12 WeakPolarHBondContact O-CG1 3.46Å; V8-I12 PolarHBondContact O-N 2.84Å; I12-R14 PolarHBondContact O-N 3.38Å; I12-L15 PolarHBondContact O-N 2.96Å; I12-L16 HydrophobicContact CG2-CD1 3.72Å; I12-L16 HydrophobicContact CG2-CG 4.16Å; I12-L16 VanDerWaalsContact O-CG 3.31Å; I12-L16 WeakPolarHBondContact O-CG 3.41Å; I12-L16 PolarHBondContact O-N 3.33Å; I12-A108 HydrophobicContact CD1-CB 4.16Å; I12-A108 HydrophobicContact CG1-CB 3.64Å; I12-Y109 HydrophobicContact CD1-CD1 4.03Å; I12-Y109 HydrophobicContact CD1-CE1 4.18Å; I12-Y109 HydrophobicContact CG2-CE1 4.05Å; I12-K112 HydrophobicContact CD1-CB 3.99Å; I12-K112 HydrophobicContact CD1-CG 4.23Å
13S97.8Very high90.2Very high63 Ų6374.3 Ų74.344%0.44141%0.408SS..Hα-helixtrans-56.6-50179.9-59.90000111.7D9 S10 L11 L15 L16 E17D9-S13 WeakPolarHBondContact O-CB 3.23Å; D9-S13 PolarHBondContact O-N 2.82Å; D9-S13 PolarHBondContact O-OG 2.92Å; S10-S13 PolarHBondContact O-N 2.85Å; L11-S13 VanDerWaalsContact C-N 3.31Å; L11-S13 PolarHBondContact O-N 3.08Å; S13-L15 VanDerWaalsContact C-N 3.35Å; S13-L15 PolarHBondContact O-N 2.93Å; S13-L16 CarbonylContact O-C 3.53Å; S13-L16 PolarHBondContact O-N 3.02Å; S13-L16 VanDerWaalsContact O-N 3.17Å; S13-E17 VanDerWaalsContact O-CG 3.32Å; S13-E17 WeakPolarHBondContact O-CG 3.06Å; S13-E17 PolarHBondContact O-N 3.08Å
14R97.6Very high91.9Very high57 Ų5769.8 Ų69.822%0.21540%0.398CS..Hα-helixtrans-62.2-37.9176.6-78.9-177-69.8155.9-10.6113.8S10 L11 I12 L16 V27 Q28 E33S10-R14 PolarHBondContact O-N 2.85Å; S10-R14 VanDerWaalsContact O-N 3.12Å; L11-R14 PolarHBondContact O-N 3.03Å; I12-R14 PolarHBondContact O-N 3.38Å; R14-L16 VanDerWaalsContact C-N 3.33Å; R14-V27 HydrophobicContact CB-CG1 4.18Å; R14-Q28 PolarHBondContact NH1-O 2.82Å; R14-E33 IonicContact CZ-OE1 2.68Å; R14-E33 IonicContact CZ-OE2 2.99Å; R14-E33 IonicContact NH1-OE1 3.43Å; R14-E33 PolarHBondContact NH1-OE1 2.98Å; R14-E33 IonicContact NH1-OE2 2.72Å; R14-E33 PolarHBondContact NH1-OE2 2.82Å; R14-E33 VanDerWaalsContact NH1-OE2 3.1Å; R14-E33 VanDerWaalsContact NH2-CD 3.25Å; R14-E33 IonicContact NH2-OE1 3.45Å; R14-E33 PolarHBondContact NH2-OE1 3.26Å; R14-E33 IonicContact NH2-OE2 3.71Å; R14-E33 PolarHBondContact NH2-OE2 2.91Å
15L97.9Very high93.4Very high0 Ų071.5 Ų71.50%039%0.386CS..Hα-helixtrans-63.4-43.1175.6-78.1163.4000110L11 I12 S13 V18 V27 M29 Y68 E101 C104 L105L11-L15 HydrophobicContact CD1-CD1 4.28Å; L11-L15 HydrophobicContact CG-CD1 4.04Å; L11-L15 WeakPolarHBondContact O-CB 3.41Å; L11-L15 WeakPolarHBondContact O-CD1 3.37Å; L11-L15 WeakPolarHBondContact O-CG 3.48Å; L11-L15 PolarHBondContact O-N 3.18Å; I12-L15 PolarHBondContact O-N 2.96Å; S13-L15 VanDerWaalsContact C-N 3.35Å; S13-L15 PolarHBondContact O-N 2.93Å; L15-V18 WeakPolarHBondContact O-CG2 3.4Å; L15-V27 HydrophobicContact CD2-CB 4.14Å; L15-V27 HydrophobicContact CD2-CG1 4.03Å; L15-V27 HydrophobicContact CD2-CG2 4.19Å; L15-V27 HydrophobicContact CG-CG1 4.27Å; L15-M29 HydrophobicContact CD2-SD 3.94Å; L15-Y68 WeakPolarHBondContact CA-OH 3.48Å; L15-Y68 WeakPolarHBondContact CB-OH 3.25Å; L15-Y68 PolarHBondContact O-OH 3.22Å; L15-E101 HydrophobicContact CD2-CB 4.23Å; L15-E101 HydrophobicContact CD2-CG 4.28Å; L15-C104 HydrophobicContact CD1-CB 4.33Å; L15-L105 HydrophobicContact CB-CD1 4.05Å; L15-L105 HydrophobicContact CD1-CB 4.1Å; L15-L105 HydrophobicContact CD1-CD1 4.2Å
16L97.5Very high94.1Very high32 Ų3266 Ų6617%0.16836%0.362CS..Hα-helixtrans-77.2-22.8179.6-62.6-178.8000114.4I12 S13 R14 V18 R19 L72 F80 L105 Y109I12-L16 HydrophobicContact CG2-CD1 3.72Å; I12-L16 HydrophobicContact CG2-CG 4.16Å; I12-L16 VanDerWaalsContact O-CG 3.31Å; I12-L16 WeakPolarHBondContact O-CG 3.41Å; I12-L16 PolarHBondContact O-N 3.33Å; S13-L16 CarbonylContact O-C 3.53Å; S13-L16 PolarHBondContact O-N 3.02Å; S13-L16 VanDerWaalsContact O-N 3.17Å; R14-L16 VanDerWaalsContact C-N 3.33Å; L16-V18 PolarHBondContact O-N 3.44Å; L16-R19 WeakPolarHBondContact O-CB 3.39Å; L16-R19 VanDerWaalsContact O-CD 3.3Å; L16-R19 WeakPolarHBondContact O-CD 3.32Å; L16-R19 WeakPolarHBondContact O-CG 3.5Å; L16-R19 PolarHBondContact O-N 3.14Å; L16-L72 HydrophobicContact CD2-CD2 3.67Å; L16-F80 HydrophobicContact CD1-CD1 4.45Å; L16-F80 HydrophobicContact CD2-CD1 4.16Å; L16-F80 HydrophobicContact CD2-CE1 3.65Å; L16-L105 HydrophobicContact CD2-CD1 4.25Å; L16-L105 HydrophobicContact CD2-CD2 4.12Å; L16-Y109 WeakPolarHBondContact CD1-OH 3.43Å
17E94.4Very high94.2Very high135 Ų13564.4 Ų64.463%0.63135%0.353SS*.THydrogen-bonded Turntrans-60-19.3179.6-86171.4-160.600114.2S13 R19S13-E17 VanDerWaalsContact O-CG 3.32Å; S13-E17 WeakPolarHBondContact O-CG 3.06Å; S13-E17 PolarHBondContact O-N 3.08Å; E17-R19 PolarHBondContact O-N 3.12Å
18V92.8Very high94.2Very high18 Ų1867 Ų6711%0.10936%0.362CS..THydrogen-bonded Turntrans-81.5-2.2176.1-58.40000113.3L15 L16 G20 C21 K25 V27 Y68 L72L15-V18 WeakPolarHBondContact O-CG2 3.4Å; L16-V18 PolarHBondContact O-N 3.44Å; V18-G20 PolarHBondContact O-N 3.1Å; V18-C21 HydrophobicContact CB-CB 4.42Å; V18-C21 VanDerWaalsContact O-CB 3.24Å; V18-C21 WeakPolarHBondContact O-CB 3.36Å; V18-C21 PolarHBondContact O-N 3.15Å; V18-K25 HydrophobicContact CB-CD 4.39Å; V18-K25 HydrophobicContact CG1-CB 4.41Å; V18-K25 HydrophobicContact CG1-CD 3.87Å; V18-K25 HydrophobicContact CG1-CG 4.05Å; V18-V27 HydrophobicContact CB-CG2 4.47Å; V18-V27 HydrophobicContact CG1-CG2 3.64Å; V18-V27 HydrophobicContact CG2-CG2 4.01Å; V18-Y68 HydrophobicContact CG2-CE1 3.67Å; V18-L72 HydrophobicContact CG2-CD1 3.99Å
19R88.8Confident94.1Very high111 Ų11166.7 Ų66.742%0.41936%0.36SS..THydrogen-bonded Turntrans-56.2126.2167.7-72.416851.5-160.5-15.8109.4L16 E17 C21 L72 E76L16-R19 WeakPolarHBondContact O-CB 3.39Å; L16-R19 VanDerWaalsContact O-CD 3.3Å; L16-R19 WeakPolarHBondContact O-CD 3.32Å; L16-R19 WeakPolarHBondContact O-CG 3.5Å; L16-R19 PolarHBondContact O-N 3.14Å; E17-R19 PolarHBondContact O-N 3.12Å; R19-C21 PolarHBondContact O-N 3.04Å; R19-L72 HydrophobicContact CG-CB 4.37Å; R19-L72 HydrophobicContact CG-CD1 3.96Å; R19-L72 HydrophobicContact CG-CD2 4.3Å; R19-L72 HydrophobicContact CG-CG 4.45Å; R19-E76 IonicContact CZ-OE1 3.93Å; R19-E76 IonicContact NE-OE1 3.11Å; R19-E76 PolarHBondContact NE-OE1 3.19Å; R19-E76 VanDerWaalsContact NE-OE1 3.11Å; R19-E76 IonicContact NH2-OE1 4Å
20G81.8Confident94.1Very high88 Ų8866.5 Ų66.591%0.90736%0.362SS*.THydrogen-bonded Turntrans79.2-5.9-175.400000115.7V18V18-G20 PolarHBondContact O-N 3.1Å
21C89.8Confident94.2Very high44 Ų4467.3 Ų67.330%0.29736%0.36SS..SBendtrans-73.2168.2166.7-68.60000110.9V18 R19 K25V18-C21 HydrophobicContact CB-CB 4.42Å; V18-C21 VanDerWaalsContact O-CB 3.24Å; V18-C21 WeakPolarHBondContact O-CB 3.36Å; V18-C21 PolarHBondContact O-N 3.15Å; R19-C21 PolarHBondContact O-N 3.04Å; C21-K25 HydrophobicContact CB-CB 4.17Å; C21-K25 HydrophobicContact CB-CD 3.51Å; C21-K25 HydrophobicContact CB-CG 4.48Å; C21-K25 VanDerWaalsContact SG-CD 3.51Å; C21-K25 PolarHBondContact SG-NZ 3.09Å
22R88.9Confident94.2Very high222 Ų22270 Ų7084%0.83838%0.382SS*.PPolyproline II helixtrans-57.5131.2171.6-175.7179176.9178.2-0.4109.6G24 K25R22-G24 PolarHBondContact O-N 3.43Å; R22-K25 PolarHBondContact O-N 2.83Å
23P90.3Very high94.2Very high92 Ų9271.4 Ų71.460%0.59739%0.389SS*.THydrogen-bonded Turntrans-52138.2175-26.633.1000111.6T69P23-T69 HydrophobicContact CB-CG2 4.16Å; P23-T69 HydrophobicContact CG-CG2 4.16Å
24G90.2Very high94.2Very high42 Ų4268.4 Ų68.443%0.43337%0.368SS..THydrogen-bonded Turntrans92.10-173.900000115.1R22 I26R22-G24 PolarHBondContact O-N 3.43Å; G24-I26 PolarHBondContact O-N 2.76Å
25K94.1Very high94.2Very high108 Ų10868.8 Ų68.847%0.4737%0.369SS..PPolyproline II helixtrans-63.3122173-175.1176.7175.1-170.20109.4V18 C21 R22 Q98V18-K25 HydrophobicContact CB-CD 4.39Å; V18-K25 HydrophobicContact CG1-CB 4.41Å; V18-K25 HydrophobicContact CG1-CD 3.87Å; V18-K25 HydrophobicContact CG1-CG 4.05Å; C21-K25 HydrophobicContact CB-CB 4.17Å; C21-K25 HydrophobicContact CB-CD 3.51Å; C21-K25 HydrophobicContact CB-CG 4.48Å; C21-K25 VanDerWaalsContact SG-CD 3.51Å; C21-K25 PolarHBondContact SG-NZ 3.09Å; R22-K25 PolarHBondContact O-N 2.83Å; K25-Q98 PolarHBondContact O-NE2 3.17Å
26I95.2Very high94.3Very high79 Ų7969.6 Ų69.641%0.40538%0.377SS..PPolyproline II helixtrans-75.8136.9179-71.4172000109.9G24 R142G24-I26 PolarHBondContact O-N 2.76Å; I26-R142 VanDerWaalsContact CG2-NH2 3.32Å
27V96.6Very high94.3Very high6 Ų668 Ų684%0.03637%0.369CS..PPolyproline II helixtrans-92129.7171.1-177.70000108.6R14 L15 V18 M29 Y68 E101 R142R14-V27 HydrophobicContact CB-CG1 4.18Å; L15-V27 HydrophobicContact CD2-CB 4.14Å; L15-V27 HydrophobicContact CD2-CG1 4.03Å; L15-V27 HydrophobicContact CD2-CG2 4.19Å; L15-V27 HydrophobicContact CG-CG1 4.27Å; V18-V27 HydrophobicContact CB-CG2 4.47Å; V18-V27 HydrophobicContact CG1-CG2 3.64Å; V18-V27 HydrophobicContact CG2-CG2 4.01Å; V27-M29 HydrophobicContact CG1-CG 4.19Å; V27-M29 PolarHBondContact O-N 3.21Å; V27-Y68 HydrophobicContact CG2-CE1 4.44Å; V27-E101 HydrophobicContact CB-CG 3.97Å; V27-E101 HydrophobicContact CG2-CG 3.95Å; V27-E101 PolarHBondContact N-OE1 2.88Å; V27-E101 VanDerWaalsContact N-OE1 3.14Å; V27-R142 PolarHBondContact O-NH2 2.78Å
28Q94.8Very high94.5Very high150 Ų15061.7 Ų61.770%0.70134%0.34SS*.PPolyproline II helixtrans-80116.2177.6-64.3-61.6-30.400109.6R14R14-Q28 PolarHBondContact NH1-O 2.82Å
29M97.1Very high94.8Very high12 Ų1264 Ų646%0.05935%0.351CS..  trans-128.4140177.4-58.1177.3-79.100107.9L11 L15 V27 E33 V34 E101 C104 F143L11-M29 HydrophobicContact CD1-CG 3.8Å; L11-M29 HydrophobicContact CD1-SD 4.11Å; L15-M29 HydrophobicContact CD2-SD 3.94Å; V27-M29 HydrophobicContact CG1-CG 4.19Å; V27-M29 PolarHBondContact O-N 3.21Å; M29-E33 WeakPolarHBondContact CA-OE2 3.5Å; M29-V34 HydrophobicContact CB-CG2 3.87Å; M29-V34 HydrophobicContact SD-CG2 4.35Å; M29-E101 HydrophobicContact CE-CG 4.28Å; M29-C104 HydrophobicContact CE-CB 4.29Å; M29-C104 HydrophobicContact SD-CB 3.75Å; M29-F143 HydrophobicContact CB-CZ 4.41Å; M29-F143 VanDerWaalsContact O-CE1 3.28Å; M29-F143 WeakPolarHBondContact O-CE1 3.39Å; M29-F143 WeakPolarHBondContact O-CZ 3.16Å
30T97.8Very high95.3Very high74 Ų7463.1 Ų63.145%0.45435%0.35SS..  trans-80.6154.3174.471.20000110.4A32 E33 V34T30-A32 PolarHBondContact O-N 2.88Å; T30-E33 PolarHBondContact N-OE2 2.92Å; T30-E33 PolarHBondContact O-N 3.24Å; T30-E33 WeakPolarHBondContact OG1-CG 3.36Å; T30-E33 PolarHBondContact OG1-N 3.45Å; T30-E33 PolarHBondContact OG1-OE2 3.22Å; T30-V34 WeakPolarHBondContact O-CG2 3.02Å; T30-V34 PolarHBondContact O-N 2.75Å; T30-V34 VanDerWaalsContact O-N 3.14Å
31E97.9Very high96.1Very high67 Ų6759 Ų5931%0.31331%0.307SS..Hα-helixtrans-58.4-33.9175-177.2-179160.600112.1R35 F143 N144 L147E31-R35 VanDerWaalsContact O-CB 3.23Å; E31-R35 WeakPolarHBondContact O-CB 3.42Å; E31-R35 PolarHBondContact O-N 2.84Å; E31-F143 HydrophobicContact CB-CD1 4.12Å; E31-F143 HydrophobicContact CB-CE1 4.49Å; E31-N144 PolarHBondContact OE1-ND2 3.49Å; E31-N144 PolarHBondContact OE2-ND2 3.07Å; E31-L147 HydrophobicContact CG-CD1 4.25Å
32A97.8Very high96.5Very high56 Ų5660.7 Ų60.746%0.46331%0.307SS..Hα-helixtrans-66.5-41.3178.100000112.1T30 G36T30-A32 PolarHBondContact O-N 2.88Å; A32-G36 PolarHBondContact O-N 2.77Å
33E98.4Very high97Very high44 Ų4454.6 Ų54.621%0.20629%0.288CS..Hα-helixtrans-62.4-49.2175.3-73.6165.3159.400111.3L6 L11 R14 M29 T30 R35 G36 L37L6-E33 HydrophobicContact CD1-CB 4.49Å; L11-E33 HydrophobicContact CD2-CB 4.23Å; R14-E33 IonicContact CZ-OE1 2.68Å; R14-E33 IonicContact CZ-OE2 2.99Å; R14-E33 IonicContact NH1-OE1 3.43Å; R14-E33 PolarHBondContact NH1-OE1 2.98Å; R14-E33 IonicContact NH1-OE2 2.72Å; R14-E33 PolarHBondContact NH1-OE2 2.82Å; R14-E33 VanDerWaalsContact NH1-OE2 3.1Å; R14-E33 VanDerWaalsContact NH2-CD 3.25Å; R14-E33 IonicContact NH2-OE1 3.45Å; R14-E33 PolarHBondContact NH2-OE1 3.26Å; R14-E33 IonicContact NH2-OE2 3.71Å; R14-E33 PolarHBondContact NH2-OE2 2.91Å; M29-E33 WeakPolarHBondContact CA-OE2 3.5Å; T30-E33 PolarHBondContact N-OE2 2.92Å; T30-E33 PolarHBondContact O-N 3.24Å; T30-E33 WeakPolarHBondContact OG1-CG 3.36Å; T30-E33 PolarHBondContact OG1-N 3.45Å; T30-E33 PolarHBondContact OG1-OE2 3.22Å; E33-R35 PolarHBondContact O-N 3.15Å; E33-G36 PolarHBondContact O-N 3.33Å; E33-L37 PolarHBondContact O-N 3.31Å
34V98.6Very high97.4Very high0 Ų051.6 Ų51.60%027%0.267CS..Hα-helixtrans-64.5-41.9-179.7-177.50000111M29 T30 G36 L37 C38 F143 L147 F151M29-V34 HydrophobicContact CB-CG2 3.87Å; M29-V34 HydrophobicContact SD-CG2 4.35Å; T30-V34 WeakPolarHBondContact O-CG2 3.02Å; T30-V34 PolarHBondContact O-N 2.75Å; T30-V34 VanDerWaalsContact O-N 3.14Å; V34-G36 VanDerWaalsContact C-N 3.33Å; V34-G36 PolarHBondContact O-N 3.2Å; V34-L37 PolarHBondContact O-N 3.02Å; V34-C38 PolarHBondContact O-N 3.1Å; V34-C38 PolarHBondContact O-SG 2.92Å; V34-C38 VanDerWaalsContact O-SG 3.4Å; V34-F143 HydrophobicContact CG2-CE2 4.37Å; V34-F143 HydrophobicContact CG2-CZ 3.99Å; V34-L147 HydrophobicContact CB-CD1 4.21Å; V34-L147 HydrophobicContact CB-CD2 4.17Å; V34-L147 HydrophobicContact CG1-CD1 3.97Å; V34-L147 HydrophobicContact CG1-CD2 3.88Å; V34-L147 HydrophobicContact CG1-CG 4.2Å; V34-F151 HydrophobicContact CG1-CE1 4.3Å; V34-F151 HydrophobicContact CG1-CE2 3.58Å; V34-F151 HydrophobicContact CG1-CZ 3.29Å
35R98.6Very high97.8Very high64 Ų6449.6 Ų49.624%0.24225%0.246CC..Hα-helixtrans-61-43.5173.5-179.317477.3-125.24111.4E3 E31 E33 C38 I39 L147 T150E3-R35 IonicContact OE1-CZ 3.46Å; E3-R35 IonicContact OE1-NE 2.67Å; E3-R35 PolarHBondContact OE1-NE 3.25Å; E3-R35 IonicContact OE1-NH2 3.1Å; E3-R35 PolarHBondContact OE1-NH2 2.91Å; E31-R35 VanDerWaalsContact O-CB 3.23Å; E31-R35 WeakPolarHBondContact O-CB 3.42Å; E31-R35 PolarHBondContact O-N 2.84Å; E33-R35 PolarHBondContact O-N 3.15Å; R35-C38 PolarHBondContact O-N 2.79Å; R35-I39 HydrophobicContact CG-CD1 3.73Å; R35-I39 HydrophobicContact CG-CG1 4.38Å; R35-I39 WeakPolarHBondContact O-CG1 3.36Å; R35-I39 PolarHBondContact O-N 3.02Å; R35-L147 HydrophobicContact CB-CD1 4.3Å; R35-T150 HydrophobicContact CG-CG2 4.17Å
36G98.5Very high98.1Very high17 Ų1747.5 Ų47.518%0.17524%0.24CC..Hα-helixtrans-59.6-44.7177.900000112.2A32 E33 V34 I39 K40A32-G36 PolarHBondContact O-N 2.77Å; E33-G36 PolarHBondContact O-N 3.33Å; V34-G36 VanDerWaalsContact C-N 3.33Å; V34-G36 PolarHBondContact O-N 3.2Å; G36-I39 PolarHBondContact O-N 3.37Å; G36-K40 WeakPolarHBondContact O-CB 3.3Å; G36-K40 WeakPolarHBondContact O-CG 3.3Å; G36-K40 PolarHBondContact O-N 2.93Å
37L98.8Very high98.2Very high0 Ų048.3 Ų48.30%025%0.253CS..Hα-helixtrans-54.5-54.6173.2-75.3178.8000110.9L6 L11 E33 V34 I39 K40 S41 C104 L107 A108 I111L6-L37 HydrophobicContact CD2-CD2 4.17Å; L11-L37 HydrophobicContact CD2-CD1 3.5Å; L11-L37 VanDerWaalsContact CD2-CD1 3.5Å; L11-L37 HydrophobicContact CD2-CD2 4.02Å; L11-L37 HydrophobicContact CD2-CG 3.75Å; E33-L37 PolarHBondContact O-N 3.31Å; V34-L37 PolarHBondContact O-N 3.02Å; L37-I39 VanDerWaalsContact C-N 3.35Å; L37-I39 PolarHBondContact O-N 3.5Å; L37-K40 PolarHBondContact O-N 3.26Å; L37-S41 WeakPolarHBondContact O-CB 3.48Å; L37-S41 PolarHBondContact O-N 3.34Å; L37-S41 PolarHBondContact O-OG 3.28Å; L37-C104 HydrophobicContact CD1-CB 3.71Å; L37-C104 WeakPolarHBondContact CD1-O 3.2Å; L37-L107 HydrophobicContact CB-CB 4.36Å; L37-A108 HydrophobicContact CD2-CB 3.78Å; L37-I111 HydrophobicContact CD2-CD1 3.63Å
38C98.9Very high98.3Very high2 Ų249 Ų491%0.01426%0.255CS..Hα-helixtrans-58.9-43.2-178.6-66.10000113V34 R35 S41 R42 T150 F151 C154V34-C38 PolarHBondContact O-N 3.1Å; V34-C38 PolarHBondContact O-SG 2.92Å; V34-C38 VanDerWaalsContact O-SG 3.4Å; R35-C38 PolarHBondContact O-N 2.79Å; C38-S41 PolarHBondContact O-OG 2.87Å; C38-R42 WeakPolarHBondContact O-CB 3.36Å; C38-R42 PolarHBondContact O-N 3.45Å; C38-T150 HydrophobicContact CB-CG2 3.69Å; C38-F151 WeakPolarHBondContact SG-CD1 3.38Å; C38-F151 WeakPolarHBondContact SG-CE1 3.45Å; C38-C154 HydrophobicContact CB-CB 4.05Å
39I98.7Very high98.5Very high65 Ų6545.6 Ų45.633%0.33325%0.246SC..Hα-helixtrans-65.8-47.6-179.7-68.5170.4000110.2R35 G36 L37 R42 E43R35-I39 HydrophobicContact CG-CD1 3.73Å; R35-I39 HydrophobicContact CG-CG1 4.38Å; R35-I39 WeakPolarHBondContact O-CG1 3.36Å; R35-I39 PolarHBondContact O-N 3.02Å; G36-I39 PolarHBondContact O-N 3.37Å; L37-I39 VanDerWaalsContact C-N 3.35Å; L37-I39 PolarHBondContact O-N 3.5Å; I39-R42 WeakPolarHBondContact O-CB 3.36Å; I39-R42 PolarHBondContact O-N 2.87Å; I39-E43 WeakPolarHBondContact O-CG 3.27Å; I39-E43 PolarHBondContact O-N 2.92Å; I39-E43 VanDerWaalsContact O-N 3.08Å
40K98.8Very high98.6Very high94 Ų9445.5 Ų45.541%0.40925%0.246SC..Hα-helixtrans-70.1-42.6-176.9-73.3-71.8163.3-154.50112.8L6 G36 L37 R42 E43 I44 I111L6-K40 HydrophobicContact CD2-CG 4.31Å; G36-K40 WeakPolarHBondContact O-CB 3.3Å; G36-K40 WeakPolarHBondContact O-CG 3.3Å; G36-K40 PolarHBondContact O-N 2.93Å; L37-K40 PolarHBondContact O-N 3.26Å; K40-R42 VanDerWaalsContact C-N 3.31Å; K40-R42 PolarHBondContact O-N 3.01Å; K40-E43 WeakPolarHBondContact CD-OE2 3.15Å; K40-E43 IonicContact NZ-OE1 3.03Å; K40-E43 IonicContact NZ-OE2 2.75Å; K40-E43 PolarHBondContact NZ-OE2 2.92Å; K40-E43 WeakPolarHBondContact O-CB 3.47Å; K40-E43 PolarHBondContact O-N 2.71Å; K40-I44 WeakPolarHBondContact O-CG1 3.19Å; K40-I44 PolarHBondContact O-N 2.74Å; K40-I111 HydrophobicContact CB-CD1 3.69Å; K40-I111 HydrophobicContact CB-CG1 4.03Å
41S98.8Very high98.7Very high0 Ų042 Ų420%023%0.225CC..Hα-helixtrans-64.6-38.1174.761.20000111.7L37 C38 E43 I44 F45 C154L37-S41 WeakPolarHBondContact O-CB 3.48Å; L37-S41 PolarHBondContact O-N 3.34Å; L37-S41 PolarHBondContact O-OG 3.28Å; C38-S41 PolarHBondContact O-OG 2.87Å; S41-E43 PolarHBondContact O-N 3.01Å; S41-I44 PolarHBondContact O-N 3.25Å; S41-F45 WeakPolarHBondContact O-CD2 3.48Å; S41-F45 VanDerWaalsContact O-CG 3.25Å; S41-F45 WeakPolarHBondContact O-CG 3.21Å; S41-F45 PolarHBondContact O-N 2.85Å; S41-C154 PolarHBondContact OG-SG 2.81Å
42R98.8Very high98.7Very high81 Ų8139.1 Ų39.131%0.30621%0.211SC..Hα-helixtrans-59.7-43.4174.8-179-178.3176.1-79.1-2.8112.5C38 I39 K40 I44 F45 L46 D153 C154 C157C38-R42 WeakPolarHBondContact O-CB 3.36Å; C38-R42 PolarHBondContact O-N 3.45Å; I39-R42 WeakPolarHBondContact O-CB 3.36Å; I39-R42 PolarHBondContact O-N 2.87Å; K40-R42 VanDerWaalsContact C-N 3.31Å; K40-R42 PolarHBondContact O-N 3.01Å; R42-I44 VanDerWaalsContact C-N 3.32Å; R42-I44 PolarHBondContact O-N 2.91Å; R42-F45 PolarHBondContact O-N 2.88Å; R42-L46 HydrophobicContact CG-CD1 4.23Å; R42-L46 WeakPolarHBondContact O-CG 3.42Å; R42-L46 PolarHBondContact O-N 3.29Å; R42-D153 WeakPolarHBondContact CD-O 3.45Å; R42-D153 PolarHBondContact NE-O 2.92Å; R42-C154 HydrophobicContact CB-CB 4.5Å; R42-C157 HydrophobicContact CG-CB 3.94Å; R42-C157 VanDerWaalsContact CG-SG 3.6Å; R42-C157 PolarHBondContact NE-SG 3.31Å
43E98.8Very high98.8Very high93 Ų9341 Ų4144%0.43521%0.211SC..Hα-helixtrans-56.4-47.5173.6-72.5168.5-170.700110.8I39 K40 S41 L46 S47I39-E43 WeakPolarHBondContact O-CG 3.27Å; I39-E43 PolarHBondContact O-N 2.92Å; I39-E43 VanDerWaalsContact O-N 3.08Å; K40-E43 WeakPolarHBondContact CD-OE2 3.15Å; K40-E43 IonicContact NZ-OE1 3.03Å; K40-E43 IonicContact NZ-OE2 2.75Å; K40-E43 PolarHBondContact NZ-OE2 2.92Å; K40-E43 WeakPolarHBondContact O-CB 3.47Å; K40-E43 PolarHBondContact O-N 2.71Å; S41-E43 PolarHBondContact O-N 3.01Å; E43-L46 PolarHBondContact O-N 2.92Å; E43-S47 PolarHBondContact O-N 2.9Å
44I98.9Very high98.8Very high29 Ų2939.7 Ų39.715%0.14921%0.205CC..Hα-helixtrans-62.9-48.9178.8-62.9165.6000110.9K40 S41 R42 L46 S47 Q48 K110 I111 P114K40-I44 WeakPolarHBondContact O-CG1 3.19Å; K40-I44 PolarHBondContact O-N 2.74Å; S41-I44 PolarHBondContact O-N 3.25Å; R42-I44 VanDerWaalsContact C-N 3.32Å; R42-I44 PolarHBondContact O-N 2.91Å; I44-L46 VanDerWaalsContact C-N 3.27Å; I44-L46 PolarHBondContact O-N 2.82Å; I44-S47 WeakPolarHBondContact CA-OG 3.37Å; I44-S47 PolarHBondContact O-N 2.69Å; I44-S47 PolarHBondContact O-OG 2.94Å; I44-Q48 PolarHBondContact O-N 2.8Å; I44-K110 HydrophobicContact CG2-CD 4.46Å; I44-K110 HydrophobicContact CG2-CG 4.49Å; I44-I111 HydrophobicContact CD1-CB 4.22Å; I44-I111 HydrophobicContact CD1-CG1 3.93Å; I44-I111 HydrophobicContact CD1-CG2 4.48Å; I44-P114 HydrophobicContact CD1-CB 4.48Å; I44-P114 HydrophobicContact CG2-CB 3.99Å
45F98.9Very high98.8Very high1 Ų147 Ų470%0.00424%0.239CC..Hα-helixtrans-59.3-39180-61.9-48.8000112.5S41 R42 S47 Q48 L107 K110 L119 C157 L158 R190S41-F45 WeakPolarHBondContact O-CD2 3.48Å; S41-F45 VanDerWaalsContact O-CG 3.25Å; S41-F45 WeakPolarHBondContact O-CG 3.21Å; S41-F45 PolarHBondContact O-N 2.85Å; R42-F45 PolarHBondContact O-N 2.88Å; F45-S47 VanDerWaalsContact C-N 3.33Å; F45-Q48 PolarHBondContact O-N 3.24Å; F45-L107 HydrophobicContact CE2-CD2 3.92Å; F45-L107 HydrophobicContact CZ-CD2 3.91Å; F45-K110 HydrophobicContact CD1-CG 4.46Å; F45-K110 HydrophobicContact CE1-CD 4.02Å; F45-K110 HydrophobicContact CE1-CG 3.67Å; F45-K110 HydrophobicContact CZ-CG 3.94Å; F45-L119 HydrophobicContact CE1-CB 4.3Å; F45-L119 HydrophobicContact CZ-CB 4.43Å; F45-L119 HydrophobicContact CZ-CD1 4.15Å; F45-C157 HydrophobicContact CB-CB 4.27Å; F45-C157 VanDerWaalsContact CB-O 3.23Å; F45-C157 WeakPolarHBondContact CB-O 3.27Å; F45-L158 HydrophobicContact CD1-CD2 4.19Å; F45-L158 HydrophobicContact CD2-CD2 4.09Å; F45-L158 HydrophobicContact CE1-CD2 3.69Å; F45-L158 HydrophobicContact CE2-CD2 3.59Å; F45-L158 HydrophobicContact CE2-CG 4.35Å; F45-L158 HydrophobicContact CG-CD2 4.39Å; F45-L158 HydrophobicContact CZ-CD2 3.38Å; F45-R190 VanDerWaalsContact O-CZ 3.25Å; F45-R190 PolarHBondContact O-NH1 2.82Å; F45-R190 PolarHBondContact O-NH2 2.81Å
46L98.8Very high98.7Very high64 Ų6444.7 Ų44.734%0.33523%0.233SC..Hα-helixtrans-71.1-28.2176.9-73174.1000113R42 E43 I44 C157 R190R42-L46 HydrophobicContact CG-CD1 4.23Å; R42-L46 WeakPolarHBondContact O-CG 3.42Å; R42-L46 PolarHBondContact O-N 3.29Å; E43-L46 PolarHBondContact O-N 2.92Å; I44-L46 VanDerWaalsContact C-N 3.27Å; I44-L46 PolarHBondContact O-N 2.82Å; L46-C157 HydrophobicContact CD2-CB 4.09Å; L46-C157 HydrophobicContact CG-CB 4.05Å; L46-R190 HydrophobicContact CD2-CB 3.78Å
47S98.8Very high98.7Very high96 Ų9646.7 Ų46.767%0.67124%0.243SC*.Hα-helixtrans-75.4-28.1174.471.80000113.5E43 I44 F45E43-S47 PolarHBondContact O-N 2.9Å; I44-S47 WeakPolarHBondContact CA-OG 3.37Å; I44-S47 PolarHBondContact O-N 2.69Å; I44-S47 PolarHBondContact O-OG 2.94Å; F45-S47 VanDerWaalsContact C-N 3.33Å
48Q98.9Very high98.7Very high19 Ų1947 Ų479%0.08925%0.245CC..SBendtrans-90.4155.2177.7-70.1-178.3-1800111.3I44 F45 L52 K110 P114 E115 R190I44-Q48 PolarHBondContact O-N 2.8Å; F45-Q48 PolarHBondContact O-N 3.24Å; Q48-L52 HydrophobicContact CB-CD2 4.33Å; Q48-K110 VanDerWaalsContact OE1-CE 3.29Å; Q48-P114 PolarHBondContact NE2-O 3.05Å; Q48-E115 PolarHBondContact NE2-OE1 2.76Å; Q48-R190 PolarHBondContact O-NH2 2.82Å
49P98.8Very high98.7Very high80 Ų8048.5 Ų48.552%0.51925%0.251SS..  trans-57.9153.5176.7-26.837.1000113.6L51 L52P49-L51 WeakPolarHBondContact CB-O 3.48Å; P49-L52 WeakPolarHBondContact O-CD2 3.34Å
50I98.8Very high98.7Very high9 Ų945.4 Ų45.45%0.04624%0.235CC..SBendtrans-76.4-29.1172.9-165.8176.3000112.6P159 I160 I185 I188 R190I50-P159 CarbonylContact O-C 3.52Å; I50-P159 WeakPolarHBondContact O-CA 3.5Å; I50-P159 VanDerWaalsContact O-CB 3.28Å; I50-P159 WeakPolarHBondContact O-CB 3.42Å; I50-I160 HydrophobicContact CD1-CG1 3.62Å; I50-I160 HydrophobicContact CG1-CB 4.25Å; I50-I160 HydrophobicContact CG1-CG1 3.72Å; I50-I160 PolarHBondContact O-N 3.46Å; I50-I185 WeakPolarHBondContact CG2-O 3.33Å; I50-I188 HydrophobicContact CD1-CB 3.7Å; I50-I188 HydrophobicContact CD1-CG2 3.59Å; I50-R190 HydrophobicContact CD1-CG 3.74Å; I50-R190 HydrophobicContact CG1-CG 4.35Å
51L98.9Very high98.7Very high2 Ų241 Ų411%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-104.1104.1165.9175.362.9000106.4P49 A161 I163 M182 I185 R186P49-L51 WeakPolarHBondContact CB-O 3.48Å; L51-A161 WeakPolarHBondContact CA-O 3.49Å; L51-A161 HydrophobicContact CD1-CB 3.64Å; L51-I163 HydrophobicContact CD1-CD1 4.34Å; L51-I163 HydrophobicContact CD1-CG1 4.18Å; L51-I163 HydrophobicContact CD2-CD1 4.22Å; L51-M182 HydrophobicContact CD2-CB 3.8Å; L51-M182 HydrophobicContact CD2-CG 4.41Å; L51-M182 HydrophobicContact CD2-SD 4.46Å; L51-I185 HydrophobicContact CB-CB 4.5Å; L51-I185 HydrophobicContact CB-CG2 4.01Å; L51-R186 HydrophobicContact CB-CG 4.01Å; L51-R186 HydrophobicContact CD2-CG 3.96Å
52L98.9Very high98.7Very high5 Ų541 Ų413%0.02622%0.216CC..EExtended strand (participates in β ladder)trans-73.1141.8-179.2-58.8174000110Q48 P49 L54 F118 L120 P159 A161 A162 I163Q48-L52 HydrophobicContact CB-CD2 4.33Å; P49-L52 WeakPolarHBondContact O-CD2 3.34Å; L52-L54 HydrophobicContact CB-CD1 4.38Å; L52-L54 HydrophobicContact CB-CD2 4.03Å; L52-L54 HydrophobicContact CB-CG 4.01Å; L52-L54 HydrophobicContact CD1-CD1 4.46Å; L52-F118 HydrophobicContact CD1-CB 4Å; L52-F118 HydrophobicContact CD1-CD1 3.92Å; L52-F118 HydrophobicContact CD1-CG 4.29Å; L52-L120 HydrophobicContact CD1-CD2 3.95Å; L52-P159 HydrophobicContact CD1-CB 4.19Å; L52-P159 HydrophobicContact CD1-CG 3.85Å; L52-P159 HydrophobicContact CD2-CB 4.22Å; L52-P159 HydrophobicContact CD2-CG 4.35Å; L52-P159 HydrophobicContact CG-CB 3.93Å; L52-P159 HydrophobicContact CG-CG 4.12Å; L52-A161 PolarHBondContact N-O 3.21Å; L52-A162 HydrophobicContact CB-CB 3.82Å; L52-A162 HydrophobicContact CD1-CB 4.48Å; L52-A162 CarbonylContact O-C 3.48Å; L52-A162 VanDerWaalsContact O-CA 3.22Å; L52-A162 WeakPolarHBondContact O-CA 3.18Å; L52-I163 PolarHBondContact O-N 3.4Å
53E98.8Very high98.7Very high97 Ų9737.1 Ų37.145%0.45320%0.202SC..EExtended strand (participates in β ladder)trans-111.8115.2168.7-54.6-72.1176.300105.5R186E53-R186 IonicContact OE1-CZ 3.72Å; E53-R186 IonicContact OE1-NE 3.91Å; E53-R186 IonicContact OE1-NH2 2.71Å; E53-R186 PolarHBondContact OE1-NH2 2.98Å
54L98.8Very high98.7Very high15 Ų1532.9 Ų32.98%0.07918%0.182CC..EExtended strand (participates in β ladder)trans-124.3156.7-170.4-56.6-179.3000110.3L52 L58 L87 F118 A162 I163 V164 D165L52-L54 HydrophobicContact CB-CD1 4.38Å; L52-L54 HydrophobicContact CB-CD2 4.03Å; L52-L54 HydrophobicContact CB-CG 4.01Å; L52-L54 HydrophobicContact CD1-CD1 4.46Å; L54-L58 HydrophobicContact CD1-CD1 4.28Å; L54-L87 HydrophobicContact CD1-CB 4.45Å; L54-L87 HydrophobicContact CD1-CD1 3.97Å; L54-L87 HydrophobicContact CD1-CD2 4.12Å; L54-L87 HydrophobicContact CD1-CG 4.42Å; L54-F118 HydrophobicContact CD1-CB 4.32Å; L54-F118 HydrophobicContact CD1-CD2 4.03Å; L54-F118 HydrophobicContact CD1-CG 4.07Å; L54-F118 HydrophobicContact CD2-CD1 3.74Å; L54-F118 HydrophobicContact CD2-CD2 3.88Å; L54-F118 HydrophobicContact CD2-CE1 3.53Å; L54-F118 HydrophobicContact CD2-CE2 3.69Å; L54-F118 HydrophobicContact CD2-CG 3.91Å; L54-F118 HydrophobicContact CD2-CZ 3.5Å; L54-F118 VanDerWaalsContact CD2-CZ 3.5Å; L54-A162 HydrophobicContact CD1-CB 3.88Å; L54-A162 HydrophobicContact CG-CB 4.36Å; L54-I163 PolarHBondContact N-O 2.89Å; L54-V164 HydrophobicContact CB-CG2 4.39Å; L54-V164 CarbonylContact O-C 3.56Å; L54-V164 VanDerWaalsContact O-CA 3.32Å; L54-V164 WeakPolarHBondContact O-CA 3.32Å; L54-D165 PolarHBondContact O-N 3.4Å
55E98.4Very high98.7Very high153 Ų15331.6 Ų31.672%0.71518%0.175SC*.  trans-117.8144.7177.9-63.1177.8178.300109.8D165E55-D165 WeakPolarHBondContact CA-OD1 3.06Å
56A97.9Very high98.7Very high16 Ų1631.6 Ų31.613%0.13218%0.176CC..SBendtrans-70.2156.4166.700000110.7L58 V164 D165 V284 D285 L288A56-L58 HydrophobicContact CB-CD2 4.28Å; A56-V164 HydrophobicContact CB-CG1 4.49Å; A56-D165 WeakPolarHBondContact CB-OD2 3.39Å; A56-D165 PolarHBondContact N-OD2 3.18Å; A56-V284 HydrophobicContact CB-CG1 4.03Å; A56-D285 VanDerWaalsContact CB-O 3.23Å; A56-D285 WeakPolarHBondContact CB-O 3.33Å; A56-L288 HydrophobicContact CB-CD2 4.38Å
57P98.3Very high98.6Very high59 Ų5930 Ų3038%0.38317%0.166SC..SBendcis-81.41415.433-33.6000112.6N85 V284 E286P57-N85 WeakPolarHBondContact O-CB 3.41Å; P57-N85 PolarHBondContact O-ND2 3.02Å; P57-V284 VanDerWaalsContact CA-O 3.25Å; P57-V284 WeakPolarHBondContact CA-O 3.34Å; P57-E286 HydrophobicContact CB-CG 4.49Å; P57-E286 HydrophobicContact CG-CG 4.27Å
58L98.3Very high98.6Very high6 Ų625.5 Ų25.53%0.03114%0.135CC..EExtended strand (participates in β ladder)trans-152.2162.1172.280.1164.4000113L54 A56 I60 N85 L87 V164 V284L54-L58 HydrophobicContact CD1-CD1 4.28Å; A56-L58 HydrophobicContact CB-CD2 4.28Å; L58-I60 HydrophobicContact CD1-CG1 4.22Å; L58-I60 HydrophobicContact CG-CG1 4.18Å; L58-N85 WeakPolarHBondContact CA-O 3.49Å; L58-N85 HydrophobicContact CB-CB 3.87Å; L58-L87 HydrophobicContact CD1-CB 3.71Å; L58-L87 HydrophobicContact CD1-CD2 4.42Å; L58-V164 HydrophobicContact CD1-CG2 4.11Å; L58-V164 HydrophobicContact CD2-CB 4.43Å; L58-V164 HydrophobicContact CD2-CG1 3.47Å; L58-V164 VanDerWaalsContact CD2-CG1 3.47Å; L58-V164 HydrophobicContact CD2-CG2 4.09Å; L58-V284 HydrophobicContact CD2-CB 4.03Å; L58-V284 HydrophobicContact CD2-CG2 4.46Å; L58-V284 PolarHBondContact N-O 2.83Å; L58-V284 PolarHBondContact O-N 2.78Å
59K98.9Very high98.5Very high35 Ų3526.6 Ų26.615%0.15214%0.143CC..EExtended strand (participates in β ladder)trans-110.4123.5175-65.5177.4-177-77.40109.7G78 A84 N85 Y86 L87 M281 M282 S283K59-G78 WeakPolarHBondContact CD-O 3.26Å; K59-G78 WeakPolarHBondContact CE-O 3.26Å; K59-A84 HydrophobicContact CD-CB 3.82Å; K59-A84 HydrophobicContact CG-CB 4.48Å; K59-N85 PolarHBondContact N-O 3.18Å; K59-Y86 HydrophobicContact CB-CD1 3.9Å; K59-Y86 HydrophobicContact CB-CE1 3.75Å; K59-Y86 HydrophobicContact CD-CE1 4.21Å; K59-Y86 WeakPolarHBondContact O-CA 3.17Å; K59-L87 PolarHBondContact O-N 3.07Å; K59-M281 HydrophobicContact CD-SD 4.14Å; K59-M282 CarbonylContact C-O 3.53Å; K59-M282 WeakPolarHBondContact CA-O 3.4Å; K59-S283 PolarHBondContact NZ-OG 3.32Å
60I98.9Very high98.4Very high0 Ų024 Ų240%013%0.125CC..EExtended strand (participates in β ladder)trans-102.3128.5-179.4-47.2-174.6000109.4L58 L87 L89 V164 L265 M281 M282 V284L58-I60 HydrophobicContact CD1-CG1 4.22Å; L58-I60 HydrophobicContact CG-CG1 4.18Å; I60-L87 CarbonylContact C-O 3.46Å; I60-L87 VanDerWaalsContact CA-O 3.25Å; I60-L87 WeakPolarHBondContact CA-O 3.35Å; I60-L87 HydrophobicContact CD1-CD2 4.28Å; I60-L87 HydrophobicContact CG1-CB 4.36Å; I60-L87 HydrophobicContact CG1-CD2 4.41Å; I60-L87 HydrophobicContact CG2-CD2 4.27Å; I60-L87 HydrophobicContact CG2-CG 4.41Å; I60-L89 HydrophobicContact CG2-CD1 3.85Å; I60-L89 HydrophobicContact CG2-CD2 3.78Å; I60-L89 HydrophobicContact CG2-CG 3.76Å; I60-V164 HydrophobicContact CD1-CG2 4.35Å; I60-L265 HydrophobicContact CB-CD1 4.11Å; I60-L265 HydrophobicContact CG2-CD1 3.98Å; I60-L265 WeakPolarHBondContact O-CD1 3.37Å; I60-M281 WeakPolarHBondContact O-CA 3.4Å; I60-M282 HydrophobicContact CD1-CE 3.76Å; I60-M282 HydrophobicContact CG1-CE 4.44Å; I60-M282 PolarHBondContact N-O 2.73Å; I60-M282 PolarHBondContact O-N 2.83Å; I60-V284 HydrophobicContact CD1-CG2 4.17Å
61C98.9Very high98.3Very high0 Ų023.6 Ų23.60%012%0.123CC..EExtended strand (participates in β ladder)trans-123.3139-177.9-560000110.5L74 L87 F88 L89C61-L74 HydrophobicContact CB-CD1 4.39Å; C61-L87 PolarHBondContact N-O 2.98Å; C61-F88 HydrophobicContact CB-CD1 3.57Å; C61-F88 HydrophobicContact CB-CE1 3.61Å; C61-F88 HydrophobicContact CB-CG 4.09Å; C61-F88 HydrophobicContact CB-CZ 4.16Å; C61-F88 CarbonylContact O-C 3.29Å; C61-F88 WeakPolarHBondContact O-CA 3.46Å; C61-L89 WeakPolarHBondContact O-CB 3.43Å; C61-L89 WeakPolarHBondContact O-CG 3.26Å; C61-L89 PolarHBondContact O-N 2.76Å
62G98.8Very high98.3Very high0 Ų023.9 Ų23.90%012%0.124CC..  trans-84.8-149.5172.200000112.6S267G62-S267 PolarHBondContact N-OG 3.45Å
63D98.9Very high98.1Very high1 Ų126.5 Ų26.51%0.00513%0.133CC..BIsolated β-bridgetrans-59.9142.8-173.9-53.621.1000112.8H65 D91 H172 A246 H247 F266 S267 A268D63-H65 IonicContact OD2-CD2 3.64Å; D63-H65 IonicContact OD2-NE2 3.07Å; D63-D91 HydrophobicContact CB-CB 4Å; D63-H172 IonicContact OD1-CE1 3.83Å; D63-H172 PolarHBondContact OD1-CE1 3.11Å; D63-H172 IonicContact OD1-ND1 3.62Å; D63-H172 IonicContact OD2-CE1 3.81Å; D63-A246 WeakPolarHBondContact OD1-CB 3.37Å; D63-H247 PolarHBondContact OD1-N 2.86Å; D63-H247 WeakPolarHBondContact OD2-CA 3.46Å; D63-F266 HydrophobicContact CB-CD2 3.87Å; D63-F266 HydrophobicContact CB-CE2 3.54Å; D63-F266 HydrophobicContact CB-CZ 3.99Å; D63-F266 WeakPolarHBondContact OD2-CE2 3.09Å; D63-S267 CarbonylContact O-C 3.47Å; D63-S267 VanDerWaalsContact O-C 3.28Å; D63-S267 WeakPolarHBondContact O-CA 3.48Å; D63-S267 WeakPolarHBondContact O-CB 3.14Å; D63-S267 PolarHBondContact O-N 3.46Å; D63-A268 PolarHBondContact O-N 3.42Å
64I98.8Very high98Very high3 Ų322.2 Ų22.22%0.01511%0.113CC..  trans-119.7-35.4178.6-55.4-63.4000112G66 Q67 L71 L74 F88 D91 T102I64-G66 PolarHBondContact O-N 2.91Å; I64-Q67 WeakPolarHBondContact O-CB 3.33Å; I64-Q67 WeakPolarHBondContact O-CG 3.3Å; I64-Q67 PolarHBondContact O-N 3.44Å; I64-L71 HydrophobicContact CD1-CD1 4.17Å; I64-L71 HydrophobicContact CG1-CD1 4.46Å; I64-L71 HydrophobicContact CG2-CB 4Å; I64-L74 HydrophobicContact CD1-CD1 4.11Å; I64-F88 HydrophobicContact CD1-CD1 4.33Å; I64-F88 HydrophobicContact CD1-CE1 3.97Å; I64-F88 HydrophobicContact CG1-CD1 4.05Å; I64-F88 HydrophobicContact CG1-CE1 4.03Å; I64-D91 PolarHBondContact N-O 2.78Å; I64-T102 HydrophobicContact CB-CG2 4.24Å; I64-T102 HydrophobicContact CG2-CG2 3.51Å
65H98.6Very high98Very high3 Ų321.5 Ų21.51%0.01411%0.11CC..THydrogen-bonded Turntrans44.953173.7-76.2-59000114.5D63 Q67 D91 V93 D94 R95 G96 H124 Y271D63-H65 IonicContact OD2-CD2 3.64Å; D63-H65 IonicContact OD2-NE2 3.07Å; H65-Q67 PolarHBondContact O-N 3.02Å; H65-D91 IonicContact CE1-OD2 3.91Å; H65-D91 PolarHBondContact CE1-OD2 2.77Å; H65-D91 PolarHBondContact N-O 2.91Å; H65-D91 IonicContact NE2-OD2 3.58Å; H65-D91 PolarHBondContact NE2-OD2 2.86Å; H65-V93 PolarHBondContact ND1-O 2.75Å; H65-D94 CarbonylContact C-O 3.59Å; H65-D94 WeakPolarHBondContact CA-O 3.41Å; H65-D94 WeakPolarHBondContact CB-O 3.44Å; H65-D94 VanDerWaalsContact O-O 3.07Å; H65-R95 HydrophobicContact CB-CB 4.33Å; H65-G96 WeakPolarHBondContact O-CA 3.31Å; H65-G96 PolarHBondContact O-N 2.88Å; H65-H124 AromaticContact CE1-CD2 3.61Å; H65-H124 AromaticContact CE1-CG 3.8Å; H65-H124 AromaticContact CE1-NE2 3.79Å; H65-Y271 HydrophobicContact CB-CE2 3.75Å; H65-Y271 AromaticContact CD2-CE2 3.21Å; H65-Y271 WeakPolarHBondContact CD2-CE2 3.17Å; H65-Y271 AromaticContact CD2-CZ 3.55Å; H65-Y271 PolarHBondContact CD2-OH 2.96Å; H65-Y271 VanDerWaalsContact CD2-OH 3.25Å; H65-Y271 AromaticContact CG-CE2 3.69Å; H65-Y271 AromaticContact NE2-CE2 3.97Å; H65-Y271 AromaticContact NE2-CZ 3.81Å; H65-Y271 PolarHBondContact NE2-OH 2.92Å; H65-Y271 VanDerWaalsContact NE2-OH 3.08Å
66G98.2Very high97.9Very high1 Ų118.9 Ų18.91%0.0110%0.098CC..THydrogen-bonded Turntrans62.114.2176.300000115.5I64 Y68 Y92 Q98 T102I64-G66 PolarHBondContact O-N 2.91Å; G66-Y68 PolarHBondContact O-N 3.35Å; G66-Y92 PolarHBondContact N-O 2.68Å; G66-Q98 CarbonylContact O-C 3.53Å; G66-Q98 PolarHBondContact O-N 2.69Å; G66-Q98 VanDerWaalsContact O-N 3.08Å; G66-T102 WeakPolarHBondContact CA-OG1 3.43Å
67Q97.9Very high97.8Very high29 Ų2924.9 Ų24.914%0.13612%0.118CC..  trans-79.962.3172.7-58.3-155150.200110.7I64 H65 T69 D70 L71 A268 P269I64-Q67 WeakPolarHBondContact O-CB 3.33Å; I64-Q67 WeakPolarHBondContact O-CG 3.3Å; I64-Q67 PolarHBondContact O-N 3.44Å; H65-Q67 PolarHBondContact O-N 3.02Å; Q67-T69 VanDerWaalsContact C-N 3.3Å; Q67-T69 PolarHBondContact O-N 3.12Å; Q67-T69 VanDerWaalsContact O-N 3.16Å; Q67-D70 HydrophobicContact CB-CB 4.23Å; Q67-D70 PolarHBondContact NE2-OD2 3.24Å; Q67-D70 WeakPolarHBondContact O-CA 3.36Å; Q67-D70 PolarHBondContact O-N 3.27Å; Q67-L71 PolarHBondContact O-N 2.93Å; Q67-A268 HydrophobicContact CG-CB 4.3Å; Q67-P269 PolarHBondContact NE2-O 3.45Å
68Y98Very high97.7Very high2 Ų222.5 Ų22.51%0.00810%0.104CC..Hα-helixtrans-55-39.6-169.4-177.3-124000114.7L15 V18 V27 G66 D70 L71 L72 Q98 E101 T102 L105L15-Y68 WeakPolarHBondContact CA-OH 3.48Å; L15-Y68 WeakPolarHBondContact CB-OH 3.25Å; L15-Y68 PolarHBondContact O-OH 3.22Å; V18-Y68 HydrophobicContact CG2-CE1 3.67Å; V27-Y68 HydrophobicContact CG2-CE1 4.44Å; G66-Y68 PolarHBondContact O-N 3.35Å; Y68-D70 VanDerWaalsContact C-N 3.28Å; Y68-D70 PolarHBondContact O-N 3.13Å; Y68-L71 HydrophobicContact CD2-CD2 4.4Å; Y68-L71 WeakPolarHBondContact O-CB 3.4Å; Y68-L71 PolarHBondContact O-N 3.21Å; Y68-L72 HydrophobicContact CD1-CD1 4.28Å; Y68-L72 HydrophobicContact CE1-CD1 3.81Å; Y68-L72 HydrophobicContact CE1-CG 4.35Å; Y68-L72 HydrophobicContact CE2-CD2 4.23Å; Y68-L72 HydrophobicContact CE2-CG 4.28Å; Y68-L72 WeakPolarHBondContact O-CG 3.25Å; Y68-L72 PolarHBondContact O-N 2.81Å; Y68-Q98 HydrophobicContact CG-CB 4.5Å; Y68-E101 HydrophobicContact CD1-CB 3.57Å; Y68-E101 HydrophobicContact CD1-CG 4.12Å; Y68-E101 HydrophobicContact CD2-CB 3.73Å; Y68-E101 HydrophobicContact CE1-CB 3.7Å; Y68-E101 HydrophobicContact CE1-CG 4.1Å; Y68-E101 HydrophobicContact CE2-CB 3.86Å; Y68-E101 WeakPolarHBondContact CE2-O 3.44Å; Y68-E101 HydrophobicContact CG-CB 3.57Å; Y68-T102 WeakPolarHBondContact CA-OG1 3.36Å; Y68-T102 WeakPolarHBondContact CB-OG1 3.28Å; Y68-L105 HydrophobicContact CE2-CB 4.08Å; Y68-L105 HydrophobicContact CE2-CD2 3.75Å
69T96.3Very high97.7Very high42 Ų4222.9 Ų22.926%0.25811%0.109SC..Hα-helixtrans-64.4-35177.6-56.80000111.9P23 Q67 L72 R73P23-T69 HydrophobicContact CB-CG2 4.16Å; P23-T69 HydrophobicContact CG-CG2 4.16Å; Q67-T69 VanDerWaalsContact C-N 3.3Å; Q67-T69 PolarHBondContact O-N 3.12Å; Q67-T69 VanDerWaalsContact O-N 3.16Å; T69-L72 PolarHBondContact O-N 3.05Å; T69-R73 WeakPolarHBondContact O-CG 3.34Å; T69-R73 PolarHBondContact O-N 3.49Å; T69-R73 VanDerWaalsContact O-N 3.1Å
70D96.3Very high97.6Very high27 Ų2722.6 Ų22.614%0.14411%0.108CC..Hα-helixtrans-75.9-32.3176.8-62.5-58.1000111.7Q67 Y68 L72 R73 L74 P269 L295Q67-D70 HydrophobicContact CB-CB 4.23Å; Q67-D70 PolarHBondContact NE2-OD2 3.24Å; Q67-D70 WeakPolarHBondContact O-CA 3.36Å; Q67-D70 PolarHBondContact O-N 3.27Å; Y68-D70 VanDerWaalsContact C-N 3.28Å; Y68-D70 PolarHBondContact O-N 3.13Å; D70-L72 VanDerWaalsContact C-N 3.32Å; D70-L72 PolarHBondContact O-N 3.04Å; D70-R73 PolarHBondContact O-N 2.87Å; D70-R73 IonicContact OD1-CZ 3.82Å; D70-R73 IonicContact OD1-NH1 3.41Å; D70-R73 PolarHBondContact OD1-NH1 3.21Å; D70-L74 VanDerWaalsContact O-CB 3.31Å; D70-L74 WeakPolarHBondContact O-CB 3.38Å; D70-L74 PolarHBondContact O-N 3.44Å; D70-P269 HydrophobicContact CB-CG 3.99Å; D70-L295 HydrophobicContact CB-CD2 4.33Å
71L98.1Very high97.6Very high0 Ų023 Ų230%011%0.111CC..Hα-helixtrans-58.7-42.9168177.663.1000111.7I64 Q67 Y68 L74 F75 F88 T102 L105 L106I64-L71 HydrophobicContact CD1-CD1 4.17Å; I64-L71 HydrophobicContact CG1-CD1 4.46Å; I64-L71 HydrophobicContact CG2-CB 4Å; Q67-L71 PolarHBondContact O-N 2.93Å; Y68-L71 HydrophobicContact CD2-CD2 4.4Å; Y68-L71 WeakPolarHBondContact O-CB 3.4Å; Y68-L71 PolarHBondContact O-N 3.21Å; L71-L74 WeakPolarHBondContact O-CB 3.1Å; L71-L74 PolarHBondContact O-N 3.1Å; L71-F75 HydrophobicContact CD1-CD2 4.16Å; L71-F75 HydrophobicContact CD1-CE2 3.52Å; L71-F75 HydrophobicContact CD1-CZ 3.78Å; L71-F75 HydrophobicContact CD2-CE2 4.09Å; L71-F75 HydrophobicContact CG-CD2 4.1Å; L71-F75 HydrophobicContact CG-CE2 3.62Å; L71-F75 HydrophobicContact CG-CZ 4.37Å; L71-F75 WeakPolarHBondContact O-CD2 3.49Å; L71-F75 PolarHBondContact O-N 3.46Å; L71-F88 HydrophobicContact CD1-CE1 3.72Å; L71-F88 HydrophobicContact CD1-CZ 3.85Å; L71-T102 HydrophobicContact CD2-CG2 3.93Å; L71-L105 HydrophobicContact CD2-CD2 4.39Å; L71-L106 HydrophobicContact CD1-CD2 4.25Å; L71-L106 HydrophobicContact CD2-CD2 3.99Å; L71-L106 HydrophobicContact CD2-CG 4.11Å
72L97.6Very high97.6Very high7 Ų726.4 Ų26.44%0.03713%0.133CC..Hα-helixtrans-63.8-42.3175.8-65.7176.1000111.7L16 V18 R19 Y68 T69 D70 L74 F75 E76 L105L16-L72 HydrophobicContact CD2-CD2 3.67Å; V18-L72 HydrophobicContact CG2-CD1 3.99Å; R19-L72 HydrophobicContact CG-CB 4.37Å; R19-L72 HydrophobicContact CG-CD1 3.96Å; R19-L72 HydrophobicContact CG-CD2 4.3Å; R19-L72 HydrophobicContact CG-CG 4.45Å; Y68-L72 HydrophobicContact CD1-CD1 4.28Å; Y68-L72 HydrophobicContact CE1-CD1 3.81Å; Y68-L72 HydrophobicContact CE1-CG 4.35Å; Y68-L72 HydrophobicContact CE2-CD2 4.23Å; Y68-L72 HydrophobicContact CE2-CG 4.28Å; Y68-L72 WeakPolarHBondContact O-CG 3.25Å; Y68-L72 PolarHBondContact O-N 2.81Å; T69-L72 PolarHBondContact O-N 3.05Å; D70-L72 VanDerWaalsContact C-N 3.32Å; D70-L72 PolarHBondContact O-N 3.04Å; L72-L74 VanDerWaalsContact C-N 3.29Å; L72-L74 PolarHBondContact O-N 3.11Å; L72-F75 PolarHBondContact O-N 3.3Å; L72-E76 WeakPolarHBondContact O-CG 3.42Å; L72-E76 PolarHBondContact O-N 3.33Å; L72-L105 HydrophobicContact CD2-CD2 3.78Å
73R96.1Very high97.5Very high61 Ų6133.8 Ų33.823%0.2317%0.168CC..Hα-helixtrans-62.6-36.9174.3-70.2170.866.2-150.5-0.6112T69 D70 E76 Y77 L295 K296T69-R73 WeakPolarHBondContact O-CG 3.34Å; T69-R73 PolarHBondContact O-N 3.49Å; T69-R73 VanDerWaalsContact O-N 3.1Å; D70-R73 PolarHBondContact O-N 2.87Å; D70-R73 IonicContact OD1-CZ 3.82Å; D70-R73 IonicContact OD1-NH1 3.41Å; D70-R73 PolarHBondContact OD1-NH1 3.21Å; R73-E76 PolarHBondContact O-N 2.71Å; R73-Y77 WeakPolarHBondContact O-CB 3.46Å; R73-Y77 PolarHBondContact O-N 2.81Å; R73-L295 HydrophobicContact CB-CD1 4.11Å; R73-L295 HydrophobicContact CB-CD2 3.99Å; R73-K296 PolarHBondContact NH2-O 3.31Å
74L97.2Very high97.5Very high6 Ų634.5 Ų34.53%0.03117%0.174CC..Hα-helixtrans-60.2-48.3175.9-172.7157.8000109.9C61 I64 D70 L71 L72 Y77 G78 Y86 F88 M281C61-L74 HydrophobicContact CB-CD1 4.39Å; I64-L74 HydrophobicContact CD1-CD1 4.11Å; D70-L74 VanDerWaalsContact O-CB 3.31Å; D70-L74 WeakPolarHBondContact O-CB 3.38Å; D70-L74 PolarHBondContact O-N 3.44Å; L71-L74 WeakPolarHBondContact O-CB 3.1Å; L71-L74 PolarHBondContact O-N 3.1Å; L72-L74 VanDerWaalsContact C-N 3.29Å; L72-L74 PolarHBondContact O-N 3.11Å; L74-Y77 PolarHBondContact O-N 2.91Å; L74-G78 PolarHBondContact O-N 3.44Å; L74-Y86 HydrophobicContact CD2-CE1 3.99Å; L74-F88 HydrophobicContact CD2-CZ 4.49Å; L74-M281 HydrophobicContact CB-CE 4.32Å; L74-M281 HydrophobicContact CD1-CE 4.33Å; L74-M281 HydrophobicContact CD2-CE 3.33Å; L74-M281 HydrophobicContact CG-CE 3.33Å; L74-M281 VanDerWaalsContact O-CE 3.28Å; L74-M281 WeakPolarHBondContact O-CE 3.31Å
75F98Very high97.5Very high0 Ų036.2 Ų36.20%018%0.183CC..Hα-helixtrans-66.6-36.2174.2-67.3-50.2000113.4L71 L72 Y77 G78 G79 F80 P81 Y86 F88 L105 L106 Y109 F117L71-F75 HydrophobicContact CD1-CD2 4.16Å; L71-F75 HydrophobicContact CD1-CE2 3.52Å; L71-F75 HydrophobicContact CD1-CZ 3.78Å; L71-F75 HydrophobicContact CD2-CE2 4.09Å; L71-F75 HydrophobicContact CG-CD2 4.1Å; L71-F75 HydrophobicContact CG-CE2 3.62Å; L71-F75 HydrophobicContact CG-CZ 4.37Å; L71-F75 WeakPolarHBondContact O-CD2 3.49Å; L71-F75 PolarHBondContact O-N 3.46Å; L72-F75 PolarHBondContact O-N 3.3Å; F75-Y77 PolarHBondContact O-N 3.29Å; F75-G78 PolarHBondContact O-N 3.24Å; F75-G79 CarbonylContact O-C 3.46Å; F75-G79 VanDerWaalsContact O-CA 3.3Å; F75-G79 WeakPolarHBondContact O-CA 3.33Å; F75-G79 PolarHBondContact O-N 3.26Å; F75-F80 HydrophobicContact CB-CD1 3.54Å; F75-F80 HydrophobicContact CB-CD2 4.39Å; F75-F80 HydrophobicContact CB-CE1 3.46Å; F75-F80 VanDerWaalsContact CB-CE1 3.46Å; F75-F80 HydrophobicContact CB-CE2 4.32Å; F75-F80 HydrophobicContact CB-CG 4.03Å; F75-F80 HydrophobicContact CB-CZ 3.87Å; F75-F80 HydrophobicContact CD2-CD1 4.48Å; F75-F80 HydrophobicContact CD2-CE1 4.36Å; F75-F80 HydrophobicContact CG-CD1 4.18Å; F75-F80 HydrophobicContact CG-CE1 4.27Å; F75-P81 HydrophobicContact CD1-CG 4.49Å; F75-P81 HydrophobicContact CE1-CG 4.18Å; F75-Y86 HydrophobicContact CD1-CE1 4.12Å; F75-Y86 AromaticContact CD1-CE2 3.98Å; F75-Y86 HydrophobicContact CD1-CE2 3.98Å; F75-Y86 AromaticContact CD1-CZ 3.7Å; F75-Y86 HydrophobicContact CE1-CD1 4.19Å; F75-Y86 HydrophobicContact CE1-CD2 4.23Å; F75-Y86 AromaticContact CE1-CE1 4Å; F75-Y86 HydrophobicContact CE1-CE1 4Å; F75-Y86 HydrophobicContact CE1-CE2 4.03Å; F75-Y86 HydrophobicContact CE1-CG 4.3Å; F75-Y86 AromaticContact CE1-CZ 3.92Å; F75-F88 HydrophobicContact CE1-CE2 4.13Å; F75-F88 AromaticContact CE1-CZ 3.83Å; F75-F88 HydrophobicContact CE1-CZ 3.83Å; F75-F88 HydrophobicContact CZ-CE2 4.1Å; F75-F88 AromaticContact CZ-CZ 3.69Å; F75-F88 HydrophobicContact CZ-CZ 3.69Å; F75-L105 HydrophobicContact CD2-CD2 4.42Å; F75-L105 HydrophobicContact CE2-CD2 4.1Å; F75-L106 HydrophobicContact CZ-CD2 4.19Å; F75-Y109 HydrophobicContact CD2-CE2 4.37Å; F75-Y109 HydrophobicContact CE2-CD2 4.32Å; F75-Y109 AromaticContact CE2-CE2 3.93Å; F75-Y109 HydrophobicContact CE2-CE2 3.93Å; F75-Y109 HydrophobicContact CZ-CD2 4.26Å; F75-Y109 HydrophobicContact CZ-CE2 4.22Å; F75-F117 AromaticContact CE1-CE2 3.99Å; F75-F117 HydrophobicContact CE1-CE2 3.99Å; F75-F117 HydrophobicContact CE1-CZ 4.44Å; F75-F117 AromaticContact CZ-CE2 3.97Å; F75-F117 HydrophobicContact CZ-CE2 3.97Å; F75-F117 HydrophobicContact CZ-CZ 4.01Å
76E95.9Very high97.5Very high99 Ų9936.1 Ų36.146%0.46318%0.182SC..Hα-helixtrans-60.8-31.9173.7-74.4174.1173.300112.4R19 L72 R73 F80R19-E76 IonicContact CZ-OE1 3.93Å; R19-E76 IonicContact NE-OE1 3.11Å; R19-E76 PolarHBondContact NE-OE1 3.19Å; R19-E76 VanDerWaalsContact NE-OE1 3.11Å; R19-E76 IonicContact NH2-OE1 4Å; L72-E76 WeakPolarHBondContact O-CG 3.42Å; L72-E76 PolarHBondContact O-N 3.33Å; R73-E76 PolarHBondContact O-N 2.71Å; E76-F80 HydrophobicContact CB-CE2 4.33Å; E76-F80 HydrophobicContact CG-CE2 3.59Å; E76-F80 HydrophobicContact CG-CZ 3.65Å
77Y95.4Very high97.5Very high142 Ų14236 Ų3656%0.55718%0.182SC*.Hα-helixtrans-89.4-31.9-179.4-149.7-122.5000113.6R73 L74 F75 Q293R73-Y77 WeakPolarHBondContact O-CB 3.46Å; R73-Y77 PolarHBondContact O-N 2.81Å; L74-Y77 PolarHBondContact O-N 2.91Å; F75-Y77 PolarHBondContact O-N 3.29Å; Y77-Q293 HydrophobicContact CD1-CB 3.96Å; Y77-Q293 HydrophobicContact CE1-CB 3.99Å; Y77-Q293 PolarHBondContact O-NE2 3.45Å; Y77-Q293 VanDerWaalsContact O-NE2 3.1Å
78G96.5Very high97.6Very high8 Ų834.7 Ų34.78%0.08218%0.175CC..Hα-helixtrans-95.2-11.1-179.500000115K59 L74 F75 Y86K59-G78 WeakPolarHBondContact CD-O 3.26Å; K59-G78 WeakPolarHBondContact CE-O 3.26Å; L74-G78 PolarHBondContact O-N 3.44Å; F75-G78 PolarHBondContact O-N 3.24Å; G78-Y86 VanDerWaalsContact C-OH 3.25Å; G78-Y86 WeakPolarHBondContact CA-OH 3.44Å; G78-Y86 PolarHBondContact O-OH 3.06Å
79G98Very high97.6Very high15 Ų1534.6 Ų34.616%0.15518%0.175CC..  trans93.4135.7-169.700000111.3F75 E83 Y86F75-G79 CarbonylContact O-C 3.46Å; F75-G79 VanDerWaalsContact O-CA 3.3Å; F75-G79 WeakPolarHBondContact O-CA 3.33Å; F75-G79 PolarHBondContact O-N 3.26Å; G79-E83 WeakPolarHBondContact CA-OE2 3.16Å; G79-Y86 WeakPolarHBondContact O-CE2 3.43Å; G79-Y86 PolarHBondContact O-OH 2.81Å
80F98.2Very high97.7Very high28 Ų2832.6 Ų32.612%0.12316%0.163CC..  trans-77.7143.9179-77.9-90000110.2L16 F75 E76 E83 Y109L16-F80 HydrophobicContact CD1-CD1 4.45Å; L16-F80 HydrophobicContact CD2-CD1 4.16Å; L16-F80 HydrophobicContact CD2-CE1 3.65Å; F75-F80 HydrophobicContact CB-CD1 3.54Å; F75-F80 HydrophobicContact CB-CD2 4.39Å; F75-F80 HydrophobicContact CB-CE1 3.46Å; F75-F80 VanDerWaalsContact CB-CE1 3.46Å; F75-F80 HydrophobicContact CB-CE2 4.32Å; F75-F80 HydrophobicContact CB-CG 4.03Å; F75-F80 HydrophobicContact CB-CZ 3.87Å; F75-F80 HydrophobicContact CD2-CD1 4.48Å; F75-F80 HydrophobicContact CD2-CE1 4.36Å; F75-F80 HydrophobicContact CG-CD1 4.18Å; F75-F80 HydrophobicContact CG-CE1 4.27Å; E76-F80 HydrophobicContact CB-CE2 4.33Å; E76-F80 HydrophobicContact CG-CE2 3.59Å; E76-F80 HydrophobicContact CG-CZ 3.65Å; F80-E83 PolarHBondContact N-OE2 2.63Å; F80-E83 VanDerWaalsContact N-OE2 3.15Å; F80-E83 WeakPolarHBondContact O-CA 3.13Å; F80-E83 WeakPolarHBondContact O-CB 3.22Å; F80-E83 VanDerWaalsContact O-CG 3.3Å; F80-E83 WeakPolarHBondContact O-CG 3.36Å; F80-E83 PolarHBondContact O-N 3.23Å; F80-Y109 WeakPolarHBondContact CD1-OH 3.22Å
81P98.1Very high97.9Very high9 Ų931.4 Ų31.46%0.05816%0.156CC..THydrogen-bonded Turntrans-55131.6172.2-25.834.2000111.7F75 Y86 Y109 Y113 F117F75-P81 HydrophobicContact CD1-CG 4.49Å; F75-P81 HydrophobicContact CE1-CG 4.18Å; P81-Y86 HydrophobicContact CG-CD2 3.98Å; P81-Y86 HydrophobicContact CG-CE2 4.2Å; P81-Y109 HydrophobicContact CB-CD1 3.86Å; P81-Y109 HydrophobicContact CB-CE1 4.01Å; P81-Y109 HydrophobicContact CB-CG 4.23Å; P81-Y109 HydrophobicContact CG-CD1 4.09Å; P81-Y109 HydrophobicContact CG-CD2 4.05Å; P81-Y109 HydrophobicContact CG-CE1 4.17Å; P81-Y109 HydrophobicContact CG-CE2 4.12Å; P81-Y109 HydrophobicContact CG-CG 4.04Å; P81-Y113 HydrophobicContact CB-CD2 3.65Å; P81-Y113 HydrophobicContact CB-CE2 3.8Å; P81-Y113 WeakPolarHBondContact O-CE2 3.01Å; P81-F117 HydrophobicContact CB-CD2 4.18Å; P81-F117 HydrophobicContact CG-CD2 3.63Å; P81-F117 HydrophobicContact CG-CE2 3.63Å
82P97.9Very high97.9Very high72 Ų7231.4 Ų31.447%0.46816%0.156SC..THydrogen-bonded Turncis-101.619.112.739.6-30.8000114.4A84 Y113P82-A84 PolarHBondContact O-N 2.81Å; P82-Y113 HydrophobicContact CB-CD1 3.87Å; P82-Y113 HydrophobicContact CB-CE1 3.79Å; P82-Y113 HydrophobicContact CB-CE2 4.45Å; P82-Y113 HydrophobicContact CB-CG 4.26Å; P82-Y113 WeakPolarHBondContact CD-OH 3.3Å; P82-Y113 HydrophobicContact CG-CD1 4.28Å; P82-Y113 HydrophobicContact CG-CE1 3.69Å
83E98.1Very high98Very high155 Ų15531 Ų3172%0.72415%0.154SC*.SBendtrans-60.5-25.7178.3-60.1171.1173.700112.6G79 F80G79-E83 WeakPolarHBondContact CA-OE2 3.16Å; F80-E83 PolarHBondContact N-OE2 2.63Å; F80-E83 VanDerWaalsContact N-OE2 3.15Å; F80-E83 WeakPolarHBondContact O-CA 3.13Å; F80-E83 WeakPolarHBondContact O-CB 3.22Å; F80-E83 VanDerWaalsContact O-CG 3.3Å; F80-E83 WeakPolarHBondContact O-CG 3.36Å; F80-E83 PolarHBondContact O-N 3.23Å
84A97.9Very high98.1Very high16 Ų1628.1 Ų28.113%0.13214%0.143CC..SBendtrans-138.9148.1170.300000110.7K59 P82 Y86K59-A84 HydrophobicContact CD-CB 3.82Å; K59-A84 HydrophobicContact CG-CB 4.48Å; P82-A84 PolarHBondContact O-N 2.81Å; A84-Y86 HydrophobicContact CB-CD2 4.43Å; A84-Y86 HydrophobicContact CB-CE2 3.83Å; A84-Y86 VanDerWaalsContact O-CD2 3.3Å; A84-Y86 WeakPolarHBondContact O-CD2 3.34Å
85N98.8Very high98Very high39 Ų3933.5 Ų33.521%0.20916%0.163CC..  trans-78.3144.3169.9-57.7-39.8000109.8P57 L58 K59 N116P57-N85 WeakPolarHBondContact O-CB 3.41Å; P57-N85 PolarHBondContact O-ND2 3.02Å; L58-N85 WeakPolarHBondContact CA-O 3.49Å; L58-N85 HydrophobicContact CB-CB 3.87Å; K59-N85 PolarHBondContact N-O 3.18Å; N85-N116 CarbonylContact C-O 3.43Å; N85-N116 WeakPolarHBondContact CA-O 3.4Å; N85-N116 VanDerWaalsContact OD1-CB 3.27Å; N85-N116 WeakPolarHBondContact OD1-CB 3.27Å; N85-N116 PolarHBondContact OD1-ND2 2.77Å
86Y98.9Very high97.9Very high0 Ų034.6 Ų34.60%017%0.174CC..EExtended strand (participates in β ladder)trans-130.4139.1-177-80.2-88.7000113K59 L74 F75 G78 G79 P81 A84 F88 N116 F117 F118K59-Y86 HydrophobicContact CB-CD1 3.9Å; K59-Y86 HydrophobicContact CB-CE1 3.75Å; K59-Y86 HydrophobicContact CD-CE1 4.21Å; K59-Y86 WeakPolarHBondContact O-CA 3.17Å; L74-Y86 HydrophobicContact CD2-CE1 3.99Å; F75-Y86 HydrophobicContact CD1-CE1 4.12Å; F75-Y86 AromaticContact CD1-CE2 3.98Å; F75-Y86 HydrophobicContact CD1-CE2 3.98Å; F75-Y86 AromaticContact CD1-CZ 3.7Å; F75-Y86 HydrophobicContact CE1-CD1 4.19Å; F75-Y86 HydrophobicContact CE1-CD2 4.23Å; F75-Y86 AromaticContact CE1-CE1 4Å; F75-Y86 HydrophobicContact CE1-CE1 4Å; F75-Y86 HydrophobicContact CE1-CE2 4.03Å; F75-Y86 HydrophobicContact CE1-CG 4.3Å; F75-Y86 AromaticContact CE1-CZ 3.92Å; G78-Y86 VanDerWaalsContact C-OH 3.25Å; G78-Y86 WeakPolarHBondContact CA-OH 3.44Å; G78-Y86 PolarHBondContact O-OH 3.06Å; G79-Y86 WeakPolarHBondContact O-CE2 3.43Å; G79-Y86 PolarHBondContact O-OH 2.81Å; P81-Y86 HydrophobicContact CG-CD2 3.98Å; P81-Y86 HydrophobicContact CG-CE2 4.2Å; A84-Y86 HydrophobicContact CB-CD2 4.43Å; A84-Y86 HydrophobicContact CB-CE2 3.83Å; A84-Y86 VanDerWaalsContact O-CD2 3.3Å; A84-Y86 WeakPolarHBondContact O-CD2 3.34Å; Y86-F88 AromaticContact CD1-CE2 3.79Å; Y86-F88 HydrophobicContact CD1-CE2 3.79Å; Y86-F88 HydrophobicContact CD1-CZ 4.18Å; Y86-F88 HydrophobicContact CG-CE2 4.07Å; Y86-N116 PolarHBondContact N-O 3.15Å; Y86-F117 HydrophobicContact CD2-CD2 4.27Å; Y86-F117 HydrophobicContact CD2-CE2 4.18Å; Y86-F117 HydrophobicContact CG-CD2 4.28Å; Y86-F117 HydrophobicContact CG-CE2 4.02Å; Y86-F118 WeakPolarHBondContact O-CD2 3.2Å; Y86-F118 PolarHBondContact O-N 2.89Å
87L98.9Very high97.8Very high0 Ų038.8 Ų38.80%019%0.191CC..EExtended strand (participates in β ladder)trans-121.4120.4162.9175.166000108.7L54 L58 K59 I60 C61 L89 F118 L120 A162 C170L54-L87 HydrophobicContact CD1-CB 4.45Å; L54-L87 HydrophobicContact CD1-CD1 3.97Å; L54-L87 HydrophobicContact CD1-CD2 4.12Å; L54-L87 HydrophobicContact CD1-CG 4.42Å; L58-L87 HydrophobicContact CD1-CB 3.71Å; L58-L87 HydrophobicContact CD1-CD2 4.42Å; K59-L87 PolarHBondContact O-N 3.07Å; I60-L87 CarbonylContact C-O 3.46Å; I60-L87 VanDerWaalsContact CA-O 3.25Å; I60-L87 WeakPolarHBondContact CA-O 3.35Å; I60-L87 HydrophobicContact CD1-CD2 4.28Å; I60-L87 HydrophobicContact CG1-CB 4.36Å; I60-L87 HydrophobicContact CG1-CD2 4.41Å; I60-L87 HydrophobicContact CG2-CD2 4.27Å; I60-L87 HydrophobicContact CG2-CG 4.41Å; C61-L87 PolarHBondContact N-O 2.98Å; L87-L89 HydrophobicContact CD2-CD2 4.31Å; L87-L89 HydrophobicContact CG-CD2 4.4Å; L87-F118 WeakPolarHBondContact CA-O 3.49Å; L87-F118 HydrophobicContact CD1-CB 3.7Å; L87-L120 HydrophobicContact CD1-CD1 4.27Å; L87-L120 HydrophobicContact CD1-CD2 4.1Å; L87-L120 HydrophobicContact CD1-CG 3.8Å; L87-A162 HydrophobicContact CD1-CB 4.27Å; L87-A162 HydrophobicContact CD2-CB 3.93Å; L87-C170 HydrophobicContact CD2-CB 3.84Å
88F98.9Very high98Very high0 Ų032.5 Ų32.50%017%0.167CC..EExtended strand (participates in β ladder)trans-101141.8169.2-68.8-108.9000111C61 I64 L71 L74 F75 Y86 Y92 L106 F117 F118 L119 L120C61-F88 HydrophobicContact CB-CD1 3.57Å; C61-F88 HydrophobicContact CB-CE1 3.61Å; C61-F88 HydrophobicContact CB-CG 4.09Å; C61-F88 HydrophobicContact CB-CZ 4.16Å; C61-F88 CarbonylContact O-C 3.29Å; C61-F88 WeakPolarHBondContact O-CA 3.46Å; I64-F88 HydrophobicContact CD1-CD1 4.33Å; I64-F88 HydrophobicContact CD1-CE1 3.97Å; I64-F88 HydrophobicContact CG1-CD1 4.05Å; I64-F88 HydrophobicContact CG1-CE1 4.03Å; L71-F88 HydrophobicContact CD1-CE1 3.72Å; L71-F88 HydrophobicContact CD1-CZ 3.85Å; L74-F88 HydrophobicContact CD2-CZ 4.49Å; F75-F88 HydrophobicContact CE1-CE2 4.13Å; F75-F88 AromaticContact CE1-CZ 3.83Å; F75-F88 HydrophobicContact CE1-CZ 3.83Å; F75-F88 HydrophobicContact CZ-CE2 4.1Å; F75-F88 AromaticContact CZ-CZ 3.69Å; F75-F88 HydrophobicContact CZ-CZ 3.69Å; Y86-F88 AromaticContact CD1-CE2 3.79Å; Y86-F88 HydrophobicContact CD1-CE2 3.79Å; Y86-F88 HydrophobicContact CD1-CZ 4.18Å; Y86-F88 HydrophobicContact CG-CE2 4.07Å; F88-Y92 HydrophobicContact CB-CE1 3.63Å; F88-Y92 HydrophobicContact CD1-CE1 4.46Å; F88-Y92 HydrophobicContact CG-CE1 4.32Å; F88-Y92 PolarHBondContact O-OH 2.79Å; F88-L106 HydrophobicContact CD1-CD2 4.45Å; F88-L106 HydrophobicContact CD2-CD2 4.33Å; F88-L106 HydrophobicContact CE1-CD2 4.13Å; F88-L106 HydrophobicContact CE2-CD2 4.02Å; F88-L106 HydrophobicContact CZ-CD2 3.92Å; F88-F117 HydrophobicContact CD2-CE1 4.45Å; F88-F117 HydrophobicContact CD2-CE2 4.44Å; F88-F117 AromaticContact CD2-CZ 3.94Å; F88-F117 HydrophobicContact CD2-CZ 3.94Å; F88-F117 HydrophobicContact CE2-CE1 4.4Å; F88-F117 AromaticContact CE2-CE2 3.77Å; F88-F117 HydrophobicContact CE2-CE2 3.77Å; F88-F117 AromaticContact CE2-CZ 3.48Å; F88-F117 HydrophobicContact CE2-CZ 3.48Å; F88-F117 VanDerWaalsContact CE2-CZ 3.48Å; F88-F117 HydrophobicContact CZ-CZ 4.36Å; F88-F118 PolarHBondContact N-O 3.41Å; F88-L119 HydrophobicContact CB-CD2 3.77Å; F88-L119 HydrophobicContact CD2-CD2 3.88Å; F88-L119 HydrophobicContact CG-CD2 3.99Å; F88-L120 WeakPolarHBondContact O-CB 3.31Å; F88-L120 PolarHBondContact O-N 2.84Å
89L98.9Very high98.1Very high0 Ų032.2 Ų32.20%016%0.163CC..  trans-92.211.8-173.1-59.1177.7000113.8I60 C61 L87 L120 C170 H172 A246 L265I60-L89 HydrophobicContact CG2-CD1 3.85Å; I60-L89 HydrophobicContact CG2-CD2 3.78Å; I60-L89 HydrophobicContact CG2-CG 3.76Å; C61-L89 WeakPolarHBondContact O-CB 3.43Å; C61-L89 WeakPolarHBondContact O-CG 3.26Å; C61-L89 PolarHBondContact O-N 2.76Å; L87-L89 HydrophobicContact CD2-CD2 4.31Å; L87-L89 HydrophobicContact CG-CD2 4.4Å; L89-L120 HydrophobicContact CD2-CD1 3.84Å; L89-C170 HydrophobicContact CD2-CB 3.91Å; L89-H172 WeakPolarHBondContact O-CA 3.22Å; L89-H172 WeakPolarHBondContact O-CB 3.45Å; L89-H172 VanDerWaalsContact O-CG 3.28Å; L89-H172 PolarHBondContact O-ND1 2.84Å; L89-A246 HydrophobicContact CB-CB 3.78Å; L89-A246 HydrophobicContact CD1-CB 3.96Å; L89-L265 HydrophobicContact CD1-CB 4.46Å; L89-L265 HydrophobicContact CD1-CD1 4.33Å
90G98.8Very high98.1Very high0 Ų031.5 Ų31.50%016%0.156CC..SBendtrans104-172.2-179.600000114.6Y92G90-Y92 PolarHBondContact N-OH 3.47Å
91D98.9Very high98.1Very high2 Ų230.1 Ų30.11%0.01115%0.15CC..  trans57.260.3178.3-8218.7000112.8D63 I64 H65 G122 N123 H124 E125 H172D63-D91 HydrophobicContact CB-CB 4Å; I64-D91 PolarHBondContact N-O 2.78Å; H65-D91 IonicContact CE1-OD2 3.91Å; H65-D91 PolarHBondContact CE1-OD2 2.77Å; H65-D91 PolarHBondContact N-O 2.91Å; H65-D91 IonicContact NE2-OD2 3.58Å; H65-D91 PolarHBondContact NE2-OD2 2.86Å; D91-G122 WeakPolarHBondContact OD1-CA 3.38Å; D91-N123 PolarHBondContact OD1-N 3.25Å; D91-N123 PolarHBondContact OD1-OD1 3.41Å; D91-N123 PolarHBondContact OD2-OD1 2.91Å; D91-H124 WeakPolarHBondContact OD1-CB 3.4Å; D91-H124 IonicContact OD1-CD2 3.44Å; D91-H124 IonicContact OD1-CG 2.92Å; D91-H124 PolarHBondContact OD1-N 2.94Å; D91-H124 IonicContact OD2-CD2 3.31Å; D91-H124 PolarHBondContact OD2-CD2 2.92Å; D91-H124 IonicContact OD2-CG 3.03Å; D91-E125 PolarHBondContact N-OE2 3.48Å; D91-H172 IonicContact OD1-CE1 3.92Å; D91-H172 IonicContact OD1-NE2 3.56Å; D91-H172 PolarHBondContact OD1-NE2 3.37Å; D91-H172 IonicContact OD2-CE1 3.99Å; D91-H172 PolarHBondContact OD2-CE1 3.32Å; D91-H172 IonicContact OD2-NE2 2.8Å; D91-H172 PolarHBondContact OD2-NE2 3.05Å
92Y98.9Very high98.2Very high0 Ų029.7 Ų29.70%015%0.147CC..  trans-83.5-33-179-48.5-56.3000112.3G66 F88 G90 T102 I103 L106 L119 L120 E125 L158G66-Y92 PolarHBondContact N-O 2.68Å; F88-Y92 HydrophobicContact CB-CE1 3.63Å; F88-Y92 HydrophobicContact CD1-CE1 4.46Å; F88-Y92 HydrophobicContact CG-CE1 4.32Å; F88-Y92 PolarHBondContact O-OH 2.79Å; G90-Y92 PolarHBondContact N-OH 3.47Å; Y92-T102 WeakPolarHBondContact O-CG2 3.37Å; Y92-I103 HydrophobicContact CD2-CD1 3.71Å; Y92-I103 HydrophobicContact CG-CD1 3.92Å; Y92-L106 HydrophobicContact CD1-CD1 3.3Å; Y92-L106 HydrophobicContact CE1-CD1 3.87Å; Y92-L106 HydrophobicContact CG-CD1 3.81Å; Y92-L119 HydrophobicContact CE1-CD2 3.96Å; Y92-L119 HydrophobicContact CE2-CB 4.48Å; Y92-L119 WeakPolarHBondContact OH-CA 3.38Å; Y92-L119 WeakPolarHBondContact OH-CB 3.33Å; Y92-L120 WeakPolarHBondContact CE2-O 3.26Å; Y92-L120 VanDerWaalsContact CZ-O 3.3Å; Y92-L120 PolarHBondContact OH-N 3Å; Y92-L120 VanDerWaalsContact OH-N 3.14Å; Y92-L120 PolarHBondContact OH-O 3.46Å; Y92-E125 HydrophobicContact CD2-CG 3.71Å; Y92-E125 WeakPolarHBondContact CD2-OE1 3.48Å; Y92-E125 HydrophobicContact CE2-CG 4.1Å; Y92-E125 PolarHBondContact N-OE1 3.45Å; Y92-L158 HydrophobicContact CE2-CD1 4.27Å
93V98.9Very high98.2Very high0 Ų026.3 Ų26.30%013%0.125CC..SBendtrans-112.1178.6-170.7-57.80000112H65 I103 H124 N130 F135 F155H65-V93 PolarHBondContact ND1-O 2.75Å; V93-I103 HydrophobicContact CG1-CB 4.1Å; V93-I103 HydrophobicContact CG1-CG2 4.34Å; V93-H124 HydrophobicContact CG2-CB 4.43Å; V93-N130 HydrophobicContact CG2-CB 4.19Å; V93-F135 HydrophobicContact CB-CB 4.03Å; V93-F135 HydrophobicContact CB-CD1 4.29Å; V93-F135 HydrophobicContact CB-CD2 3.84Å; V93-F135 HydrophobicContact CB-CE2 4.34Å; V93-F135 HydrophobicContact CB-CG 3.8Å; V93-F135 HydrophobicContact CG1-CD1 4.3Å; V93-F135 HydrophobicContact CG1-CD2 3.79Å; V93-F135 HydrophobicContact CG1-CE1 4.29Å; V93-F135 HydrophobicContact CG1-CE2 3.77Å; V93-F135 HydrophobicContact CG1-CG 4.05Å; V93-F135 HydrophobicContact CG1-CZ 4.02Å; V93-F135 HydrophobicContact CG2-CB 4.1Å; V93-F135 HydrophobicContact CG2-CD1 4.16Å; V93-F135 HydrophobicContact CG2-CG 4.03Å; V93-F155 HydrophobicContact CG1-CZ 4.07Å; V93-F155 HydrophobicContact CG2-CE2 4.43Å
94D98.6Very high98.3Very high0 Ų019 Ų190%09%0.091CC..SBendtrans67.6166.4-177.4-64.7-38.9000114.8H65 G96 S99 H124 N130 Y133 G134 F135H65-D94 CarbonylContact C-O 3.59Å; H65-D94 WeakPolarHBondContact CA-O 3.41Å; H65-D94 WeakPolarHBondContact CB-O 3.44Å; H65-D94 VanDerWaalsContact O-O 3.07Å; D94-G96 PolarHBondContact O-N 2.85Å; D94-S99 PolarHBondContact N-OG 2.94Å; D94-S99 VanDerWaalsContact N-OG 3.11Å; D94-H124 VanDerWaalsContact CB-ND1 3.34Å; D94-H124 WeakPolarHBondContact CB-ND1 3.32Å; D94-H124 IonicContact OD2-CE1 3.77Å; D94-H124 IonicContact OD2-CG 3.58Å; D94-H124 IonicContact OD2-ND1 3.47Å; D94-H124 PolarHBondContact OD2-ND1 2.8Å; D94-N130 WeakPolarHBondContact OD1-CA 3.3Å; D94-N130 WeakPolarHBondContact OD2-CA 3.48Å; D94-N130 WeakPolarHBondContact OD2-CB 3.34Å; D94-Y133 WeakPolarHBondContact CB-O 3.25Å; D94-Y133 VanDerWaalsContact OD1-C 3.23Å; D94-G134 PolarHBondContact OD1-N 2.9Å; D94-G134 VanDerWaalsContact OD1-N 3.12Å; D94-F135 WeakPolarHBondContact OD1-CB 3.28Å; D94-F135 PolarHBondContact OD1-N 2.84Å
95R96.5Very high98.3Very high118 Ų11818.2 Ų18.245%0.4459%0.085SC..SBendtrans65.8-48.8173.2-51.8-85-172.3179.30.4114.9H65 Y133 Y271H65-R95 HydrophobicContact CB-CB 4.33Å; R95-Y133 PolarHBondContact N-O 3.45Å; R95-Y271 HydrophobicContact CB-CE2 4.35Å; R95-Y271 WeakPolarHBondContact CG-OH 3.48Å
96G94.8Very high98.3Very high23 Ų2316.3 Ų16.324%0.2378%0.075CC..SBendtrans-78.9-178.8173.300000113.8H65 D94H65-G96 WeakPolarHBondContact O-CA 3.31Å; H65-G96 PolarHBondContact O-N 2.88Å; D94-G96 PolarHBondContact O-N 2.85Å
97K94.9Very high98.3Very high187 Ų18716.4 Ų16.481%0.8138%0.075SC*.SBendtrans-97.2-16.5-166.9-65.1177.8-178.8170.90114.5
98Q98Very high98.3Very high11 Ų1116.4 Ų16.45%0.0518%0.075CC..  trans-137.254-169.9-63.6-169.2-95.400110.4K25 G66 Y68 L100 E101 T102K25-Q98 PolarHBondContact O-NE2 3.17Å; G66-Q98 CarbonylContact O-C 3.53Å; G66-Q98 PolarHBondContact O-N 2.69Å; G66-Q98 VanDerWaalsContact O-N 3.08Å; Y68-Q98 HydrophobicContact CG-CB 4.5Å; Q98-L100 VanDerWaalsContact C-N 3.28Å; Q98-L100 PolarHBondContact O-N 2.83Å; Q98-E101 HydrophobicContact CB-CB 4.45Å; Q98-E101 WeakPolarHBondContact CB-OE2 3.32Å; Q98-T102 WeakPolarHBondContact O-CB 3.38Å; Q98-T102 PolarHBondContact O-N 3.2Å; Q98-T102 VanDerWaalsContact O-N 3.15Å; Q98-T102 PolarHBondContact O-OG1 2.91Å
99S98.8Very high98.3Very high1 Ų116.6 Ų16.61%0.0078%0.076CC..Hα-helixtrans-64.6-37.1178.4-56.40000110.9D94 T102 I103 E138D94-S99 PolarHBondContact N-OG 2.94Å; D94-S99 VanDerWaalsContact N-OG 3.11Å; S99-T102 WeakPolarHBondContact O-CB 3.49Å; S99-T102 PolarHBondContact O-N 2.77Å; S99-I103 VanDerWaalsContact O-CG2 3.3Å; S99-I103 WeakPolarHBondContact O-CG2 3.31Å; S99-I103 PolarHBondContact O-N 3.29Å; S99-E138 WeakPolarHBondContact CA-OE2 3.44Å; S99-E138 WeakPolarHBondContact CB-OE2 3.21Å; S99-E138 PolarHBondContact N-OE2 2.76Å; S99-E138 PolarHBondContact OG-OE2 3.03Å
100L98.8Very high98.3Very high0 Ų016.6 Ų16.60%08%0.076CC..Hα-helixtrans-61.8-50178.7-78.9163.2000112.2Q98 T102 C104 F135 E138 R142 F143 F151Q98-L100 VanDerWaalsContact C-N 3.28Å; Q98-L100 PolarHBondContact O-N 2.83Å; L100-T102 VanDerWaalsContact C-N 3.31Å; L100-T102 PolarHBondContact O-N 2.96Å; L100-C104 WeakPolarHBondContact O-CB 3.33Å; L100-C104 PolarHBondContact O-N 3.27Å; L100-C104 PolarHBondContact O-SG 2.96Å; L100-F135 HydrophobicContact CD2-CE2 4.11Å; L100-F135 HydrophobicContact CG-CE2 4.25Å; L100-E138 WeakPolarHBondContact CB-OE1 3.45Å; L100-E138 HydrophobicContact CD1-CG 3.89Å; L100-E138 HydrophobicContact CG-CG 4.37Å; L100-E138 PolarHBondContact N-OE1 2.93Å; L100-R142 HydrophobicContact CD1-CB 3.97Å; L100-R142 HydrophobicContact CD1-CG 4.4Å; L100-F143 HydrophobicContact CD1-CD2 3.89Å; L100-F143 HydrophobicContact CD1-CE2 3.84Å; L100-F143 HydrophobicContact CD2-CD2 4.33Å; L100-F143 HydrophobicContact CD2-CE2 4.22Å; L100-F151 HydrophobicContact CD2-CE2 3.62Å; L100-F151 HydrophobicContact CD2-CZ 3.89Å
101E98.8Very high98.3Very high0 Ų018.2 Ų18.20%08%0.084CC..Hα-helixtrans-62.1-40.9176.7-72.981.4177.900112L15 V27 M29 Y68 Q98 L105 R142L15-E101 HydrophobicContact CD2-CB 4.23Å; L15-E101 HydrophobicContact CD2-CG 4.28Å; V27-E101 HydrophobicContact CB-CG 3.97Å; V27-E101 HydrophobicContact CG2-CG 3.95Å; V27-E101 PolarHBondContact N-OE1 2.88Å; V27-E101 VanDerWaalsContact N-OE1 3.14Å; M29-E101 HydrophobicContact CE-CG 4.28Å; Y68-E101 HydrophobicContact CD1-CB 3.57Å; Y68-E101 HydrophobicContact CD1-CG 4.12Å; Y68-E101 HydrophobicContact CD2-CB 3.73Å; Y68-E101 HydrophobicContact CE1-CB 3.7Å; Y68-E101 HydrophobicContact CE1-CG 4.1Å; Y68-E101 HydrophobicContact CE2-CB 3.86Å; Y68-E101 WeakPolarHBondContact CE2-O 3.44Å; Y68-E101 HydrophobicContact CG-CB 3.57Å; Q98-E101 HydrophobicContact CB-CB 4.45Å; Q98-E101 WeakPolarHBondContact CB-OE2 3.32Å; E101-L105 WeakPolarHBondContact O-CB 3.47Å; E101-L105 PolarHBondContact O-N 2.69Å; E101-R142 IonicContact OE1-CZ 2.75Å; E101-R142 VanDerWaalsContact OE1-CZ 3.3Å; E101-R142 IonicContact OE1-NH1 3.46Å; E101-R142 PolarHBondContact OE1-NH1 3.31Å; E101-R142 IonicContact OE1-NH2 2.81Å; E101-R142 PolarHBondContact OE1-NH2 2.92Å; E101-R142 IonicContact OE2-CZ 3.52Å; E101-R142 IonicContact OE2-NH1 3.63Å; E101-R142 PolarHBondContact OE2-NH1 3.44Å; E101-R142 IonicContact OE2-NH2 3.85Å
102T98.9Very high98.3Very high0 Ų021.8 Ų21.80%010%0.1CC..Hα-helixtrans-57.6-60.2178.4-59.20000110.6I64 G66 Y68 L71 Y92 Q98 S99 L100 C104 L105 L106I64-T102 HydrophobicContact CB-CG2 4.24Å; I64-T102 HydrophobicContact CG2-CG2 3.51Å; G66-T102 WeakPolarHBondContact CA-OG1 3.43Å; Y68-T102 WeakPolarHBondContact CA-OG1 3.36Å; Y68-T102 WeakPolarHBondContact CB-OG1 3.28Å; L71-T102 HydrophobicContact CD2-CG2 3.93Å; Y92-T102 WeakPolarHBondContact O-CG2 3.37Å; Q98-T102 WeakPolarHBondContact O-CB 3.38Å; Q98-T102 PolarHBondContact O-N 3.2Å; Q98-T102 VanDerWaalsContact O-N 3.15Å; Q98-T102 PolarHBondContact O-OG1 2.91Å; S99-T102 WeakPolarHBondContact O-CB 3.49Å; S99-T102 PolarHBondContact O-N 2.77Å; L100-T102 VanDerWaalsContact C-N 3.31Å; L100-T102 PolarHBondContact O-N 2.96Å; T102-C104 PolarHBondContact O-N 2.9Å; T102-L105 PolarHBondContact O-N 3.23Å; T102-L106 HydrophobicContact CG2-CD1 4.24Å; T102-L106 VanDerWaalsContact O-CG 3.3Å; T102-L106 WeakPolarHBondContact O-CG 3.25Å; T102-L106 PolarHBondContact O-N 2.89Å; T102-L106 VanDerWaalsContact O-N 3.16Å
103I98.9Very high98.3Very high1 Ų124.3 Ų24.31%0.00511%0.109CC..Hα-helixtrans-67.8-35.6-177.1-165.254.4000112Y92 V93 S99 L105 L106 L107 F135 F151 F155Y92-I103 HydrophobicContact CD2-CD1 3.71Å; Y92-I103 HydrophobicContact CG-CD1 3.92Å; V93-I103 HydrophobicContact CG1-CB 4.1Å; V93-I103 HydrophobicContact CG1-CG2 4.34Å; S99-I103 VanDerWaalsContact O-CG2 3.3Å; S99-I103 WeakPolarHBondContact O-CG2 3.31Å; S99-I103 PolarHBondContact O-N 3.29Å; I103-L105 PolarHBondContact O-N 3.14Å; I103-L106 PolarHBondContact O-N 3.22Å; I103-L107 HydrophobicContact CD1-CD2 4.32Å; I103-L107 HydrophobicContact CD1-CG 4.2Å; I103-L107 HydrophobicContact CG1-CD1 4.21Å; I103-L107 HydrophobicContact CG1-CG 4.15Å; I103-L107 WeakPolarHBondContact O-CB 3.12Å; I103-L107 VanDerWaalsContact O-CG 3.27Å; I103-L107 WeakPolarHBondContact O-CG 3.48Å; I103-L107 PolarHBondContact O-N 2.85Å; I103-F135 HydrophobicContact CG2-CE2 4.3Å; I103-F135 HydrophobicContact CG2-CZ 4.25Å; I103-F151 HydrophobicContact CG1-CE1 4.27Å; I103-F151 HydrophobicContact CG2-CD1 4.29Å; I103-F151 HydrophobicContact CG2-CE1 3.53Å; I103-F151 HydrophobicContact CG2-CZ 3.91Å; I103-F155 HydrophobicContact CD1-CE1 3.93Å; I103-F155 HydrophobicContact CD1-CZ 4.48Å; I103-F155 HydrophobicContact CG1-CE1 3.76Å; I103-F155 HydrophobicContact CG1-CZ 4Å
104C98.9Very high98.3Very high0 Ų026.2 Ų26.20%012%0.122CC..Hα-helixtrans-64.1-40.3178.3-69.50000112L15 M29 L37 L100 T102 A108L15-C104 HydrophobicContact CD1-CB 4.33Å; M29-C104 HydrophobicContact CE-CB 4.29Å; M29-C104 HydrophobicContact SD-CB 3.75Å; L37-C104 HydrophobicContact CD1-CB 3.71Å; L37-C104 WeakPolarHBondContact CD1-O 3.2Å; L100-C104 WeakPolarHBondContact O-CB 3.33Å; L100-C104 PolarHBondContact O-N 3.27Å; L100-C104 PolarHBondContact O-SG 2.96Å; T102-C104 PolarHBondContact O-N 2.9Å; C104-A108 VanDerWaalsContact O-CB 3.22Å; C104-A108 WeakPolarHBondContact O-CB 3.28Å; C104-A108 PolarHBondContact O-N 3.4Å
105L98.9Very high98.3Very high0 Ų032.3 Ų32.30%015%0.15CC..Hα-helixtrans-65.7-43.9175.7-177.760.7000111.6L15 L16 Y68 L71 L72 F75 E101 T102 I103 A108 Y109L15-L105 HydrophobicContact CB-CD1 4.05Å; L15-L105 HydrophobicContact CD1-CB 4.1Å; L15-L105 HydrophobicContact CD1-CD1 4.2Å; L16-L105 HydrophobicContact CD2-CD1 4.25Å; L16-L105 HydrophobicContact CD2-CD2 4.12Å; Y68-L105 HydrophobicContact CE2-CB 4.08Å; Y68-L105 HydrophobicContact CE2-CD2 3.75Å; L71-L105 HydrophobicContact CD2-CD2 4.39Å; L72-L105 HydrophobicContact CD2-CD2 3.78Å; F75-L105 HydrophobicContact CD2-CD2 4.42Å; F75-L105 HydrophobicContact CE2-CD2 4.1Å; E101-L105 WeakPolarHBondContact O-CB 3.47Å; E101-L105 PolarHBondContact O-N 2.69Å; T102-L105 PolarHBondContact O-N 3.23Å; I103-L105 PolarHBondContact O-N 3.14Å; L105-A108 PolarHBondContact O-N 2.85Å; L105-Y109 HydrophobicContact CD1-CD2 3.91Å; L105-Y109 HydrophobicContact CD1-CE2 3.46Å; L105-Y109 VanDerWaalsContact CD1-CE2 3.46Å; L105-Y109 HydrophobicContact CD2-CE2 4.05Å; L105-Y109 HydrophobicContact CG-CD2 3.88Å; L105-Y109 HydrophobicContact CG-CE2 3.62Å; L105-Y109 WeakPolarHBondContact O-CD2 3.32Å; L105-Y109 PolarHBondContact O-N 2.89Å
106L98.9Very high98.4Very high0 Ų029.6 Ų29.60%015%0.145CC..Hα-helixtrans-62.2-44.9178.1-65176.8000111.8L71 F75 F88 Y92 T102 I103 Y109 K110 F117 L119L71-L106 HydrophobicContact CD1-CD2 4.25Å; L71-L106 HydrophobicContact CD2-CD2 3.99Å; L71-L106 HydrophobicContact CD2-CG 4.11Å; F75-L106 HydrophobicContact CZ-CD2 4.19Å; F88-L106 HydrophobicContact CD1-CD2 4.45Å; F88-L106 HydrophobicContact CD2-CD2 4.33Å; F88-L106 HydrophobicContact CE1-CD2 4.13Å; F88-L106 HydrophobicContact CE2-CD2 4.02Å; F88-L106 HydrophobicContact CZ-CD2 3.92Å; Y92-L106 HydrophobicContact CD1-CD1 3.3Å; Y92-L106 HydrophobicContact CE1-CD1 3.87Å; Y92-L106 HydrophobicContact CG-CD1 3.81Å; T102-L106 HydrophobicContact CG2-CD1 4.24Å; T102-L106 VanDerWaalsContact O-CG 3.3Å; T102-L106 WeakPolarHBondContact O-CG 3.25Å; T102-L106 PolarHBondContact O-N 2.89Å; T102-L106 VanDerWaalsContact O-N 3.16Å; I103-L106 PolarHBondContact O-N 3.22Å; L106-Y109 PolarHBondContact O-N 2.65Å; L106-K110 PolarHBondContact O-N 3.11Å; L106-F117 HydrophobicContact CB-CE1 4.35Å; L106-F117 HydrophobicContact CD2-CE1 3.99Å; L106-F117 HydrophobicContact CD2-CZ 3.61Å; L106-F117 WeakPolarHBondContact O-CE1 3.39Å; L106-L119 HydrophobicContact CB-CD1 3.9Å; L106-L119 HydrophobicContact CB-CD2 4.13Å; L106-L119 HydrophobicContact CD1-CD2 4.34Å; L106-L119 HydrophobicContact CD2-CD2 4.28Å; L106-L119 HydrophobicContact CG-CD2 4.48Å
107L98.9Very high98.6Very high1 Ų128.5 Ų28.51%0.00513%0.134CC..Hα-helixtrans-66.7-37.9176.1-64.1-175.9000112L37 F45 I103 K110 I111 L119 F151L37-L107 HydrophobicContact CB-CB 4.36Å; F45-L107 HydrophobicContact CE2-CD2 3.92Å; F45-L107 HydrophobicContact CZ-CD2 3.91Å; I103-L107 HydrophobicContact CD1-CD2 4.32Å; I103-L107 HydrophobicContact CD1-CG 4.2Å; I103-L107 HydrophobicContact CG1-CD1 4.21Å; I103-L107 HydrophobicContact CG1-CG 4.15Å; I103-L107 WeakPolarHBondContact O-CB 3.12Å; I103-L107 VanDerWaalsContact O-CG 3.27Å; I103-L107 WeakPolarHBondContact O-CG 3.48Å; I103-L107 PolarHBondContact O-N 2.85Å; L107-K110 WeakPolarHBondContact O-CB 3.41Å; L107-K110 PolarHBondContact O-N 3.05Å; L107-I111 WeakPolarHBondContact O-CD1 3.41Å; L107-I111 WeakPolarHBondContact O-CG1 3.42Å; L107-I111 PolarHBondContact O-N 3.24Å; L107-L119 HydrophobicContact CD2-CD1 4.18Å; L107-F151 HydrophobicContact CD1-CE1 4.26Å
108A98.9Very high98.8Very high0 Ų020.5 Ų20.50%010%0.099CC..Hα-helixtrans-62.7-43.9175.900000111.3V8 I12 L37 C104 L105 I111 K112V8-A108 HydrophobicContact CG1-CB 4.14Å; I12-A108 HydrophobicContact CD1-CB 4.16Å; I12-A108 HydrophobicContact CG1-CB 3.64Å; L37-A108 HydrophobicContact CD2-CB 3.78Å; C104-A108 VanDerWaalsContact O-CB 3.22Å; C104-A108 WeakPolarHBondContact O-CB 3.28Å; C104-A108 PolarHBondContact O-N 3.4Å; L105-A108 PolarHBondContact O-N 2.85Å; A108-I111 PolarHBondContact O-N 3.42Å; A108-K112 WeakPolarHBondContact O-CB 3.34Å; A108-K112 PolarHBondContact O-N 3.49Å
109Y98.9Very high98.8Very high4 Ų420 Ų202%0.01610%0.097CC..Hα-helixtrans-65.1-37.1172.7-76.7-46.1000112.9I12 L16 F75 F80 P81 L105 L106 I111 K112 Y113 F117I12-Y109 HydrophobicContact CD1-CD1 4.03Å; I12-Y109 HydrophobicContact CD1-CE1 4.18Å; I12-Y109 HydrophobicContact CG2-CE1 4.05Å; L16-Y109 WeakPolarHBondContact CD1-OH 3.43Å; F75-Y109 HydrophobicContact CD2-CE2 4.37Å; F75-Y109 HydrophobicContact CE2-CD2 4.32Å; F75-Y109 AromaticContact CE2-CE2 3.93Å; F75-Y109 HydrophobicContact CE2-CE2 3.93Å; F75-Y109 HydrophobicContact CZ-CD2 4.26Å; F75-Y109 HydrophobicContact CZ-CE2 4.22Å; F80-Y109 WeakPolarHBondContact CD1-OH 3.22Å; P81-Y109 HydrophobicContact CB-CD1 3.86Å; P81-Y109 HydrophobicContact CB-CE1 4.01Å; P81-Y109 HydrophobicContact CB-CG 4.23Å; P81-Y109 HydrophobicContact CG-CD1 4.09Å; P81-Y109 HydrophobicContact CG-CD2 4.05Å; P81-Y109 HydrophobicContact CG-CE1 4.17Å; P81-Y109 HydrophobicContact CG-CE2 4.12Å; P81-Y109 HydrophobicContact CG-CG 4.04Å; L105-Y109 HydrophobicContact CD1-CD2 3.91Å; L105-Y109 HydrophobicContact CD1-CE2 3.46Å; L105-Y109 VanDerWaalsContact CD1-CE2 3.46Å; L105-Y109 HydrophobicContact CD2-CE2 4.05Å; L105-Y109 HydrophobicContact CG-CD2 3.88Å; L105-Y109 HydrophobicContact CG-CE2 3.62Å; L105-Y109 WeakPolarHBondContact O-CD2 3.32Å; L105-Y109 PolarHBondContact O-N 2.89Å; L106-Y109 PolarHBondContact O-N 2.65Å; Y109-I111 VanDerWaalsContact C-N 3.28Å; Y109-I111 PolarHBondContact O-N 3.08Å; Y109-K112 PolarHBondContact O-N 3.05Å; Y109-Y113 AromaticContact CD1-CD2 3.89Å; Y109-Y113 HydrophobicContact CD1-CD2 3.89Å; Y109-Y113 AromaticContact CD1-CE2 3.75Å; Y109-Y113 HydrophobicContact CD1-CE2 3.75Å; Y109-Y113 HydrophobicContact CE1-CE2 4.09Å; Y109-Y113 PolarHBondContact O-N 3.28Å; Y109-F117 HydrophobicContact CD2-CE2 4.26Å; Y109-F117 HydrophobicContact CD2-CZ 4.22Å; Y109-F117 HydrophobicContact CG-CE2 4.42Å
110K98.9Very high98.8Very high1 Ų120 Ų200%0.00410%0.096CC..Hα-helixtrans-60.3-39.8173.6-178.658.5179.1170.70112.2I44 F45 Q48 L106 L107 P114 F117 L119I44-K110 HydrophobicContact CG2-CD 4.46Å; I44-K110 HydrophobicContact CG2-CG 4.49Å; F45-K110 HydrophobicContact CD1-CG 4.46Å; F45-K110 HydrophobicContact CE1-CD 4.02Å; F45-K110 HydrophobicContact CE1-CG 3.67Å; F45-K110 HydrophobicContact CZ-CG 3.94Å; Q48-K110 VanDerWaalsContact OE1-CE 3.29Å; L106-K110 PolarHBondContact O-N 3.11Å; L107-K110 WeakPolarHBondContact O-CB 3.41Å; L107-K110 PolarHBondContact O-N 3.05Å; K110-P114 PolarHBondContact NZ-O 3.04Å; K110-P114 WeakPolarHBondContact O-CA 3.39Å; K110-F117 HydrophobicContact CB-CD1 4.39Å; K110-F117 WeakPolarHBondContact CD-O 3.18Å; K110-F117 PolarHBondContact NZ-O 3.27Å; K110-L119 HydrophobicContact CB-CD1 4.31Å
111I98.8Very high98.9Very high33 Ų3320 Ų2017%0.16910%0.096CC..Hα-helixtrans-71.5-41.4177.6-65.5158.6000111.1L6 V8 L37 K40 I44 L107 A108 Y109L6-I111 HydrophobicContact CD2-CD1 4.27Å; V8-I111 HydrophobicContact CG2-CB 4.46Å; V8-I111 HydrophobicContact CG2-CG2 3.83Å; L37-I111 HydrophobicContact CD2-CD1 3.63Å; K40-I111 HydrophobicContact CB-CD1 3.69Å; K40-I111 HydrophobicContact CB-CG1 4.03Å; I44-I111 HydrophobicContact CD1-CB 4.22Å; I44-I111 HydrophobicContact CD1-CG1 3.93Å; I44-I111 HydrophobicContact CD1-CG2 4.48Å; L107-I111 WeakPolarHBondContact O-CD1 3.41Å; L107-I111 WeakPolarHBondContact O-CG1 3.42Å; L107-I111 PolarHBondContact O-N 3.24Å; A108-I111 PolarHBondContact O-N 3.42Å; Y109-I111 VanDerWaalsContact C-N 3.28Å; Y109-I111 PolarHBondContact O-N 3.08Å
112K98.7Very high98.9Very high78 Ų7820 Ų2034%0.33910%0.096SC..Hα-helixtrans-71.5-37.1-177.4-173.666-179.5-170.50112.7V8 D9 I12 A108 Y109V8-K112 HydrophobicContact CG1-CB 4.24Å; D9-K112 VanDerWaalsContact OD1-CD 3.31Å; D9-K112 WeakPolarHBondContact OD1-CD 3.48Å; D9-K112 WeakPolarHBondContact OD1-CE 3.1Å; D9-K112 IonicContact OD1-NZ 2.69Å; D9-K112 PolarHBondContact OD1-NZ 3.38Å; D9-K112 IonicContact OD2-NZ 2.82Å; D9-K112 PolarHBondContact OD2-NZ 3.04Å; I12-K112 HydrophobicContact CD1-CB 3.99Å; I12-K112 HydrophobicContact CD1-CG 4.23Å; A108-K112 WeakPolarHBondContact O-CB 3.34Å; A108-K112 PolarHBondContact O-N 3.49Å; Y109-K112 PolarHBondContact O-N 3.05Å
113Y98.8Very high98.9Very high52 Ų5220.1 Ų20.120%0.20410%0.097CC..  trans-132.163.1-173.6-50.5-62000111.3P81 P82 Y109 E115 N116 F117P81-Y113 HydrophobicContact CB-CD2 3.65Å; P81-Y113 HydrophobicContact CB-CE2 3.8Å; P81-Y113 WeakPolarHBondContact O-CE2 3.01Å; P82-Y113 HydrophobicContact CB-CD1 3.87Å; P82-Y113 HydrophobicContact CB-CE1 3.79Å; P82-Y113 HydrophobicContact CB-CE2 4.45Å; P82-Y113 HydrophobicContact CB-CG 4.26Å; P82-Y113 WeakPolarHBondContact CD-OH 3.3Å; P82-Y113 HydrophobicContact CG-CD1 4.28Å; P82-Y113 HydrophobicContact CG-CE1 3.69Å; Y109-Y113 AromaticContact CD1-CD2 3.89Å; Y109-Y113 HydrophobicContact CD1-CD2 3.89Å; Y109-Y113 AromaticContact CD1-CE2 3.75Å; Y109-Y113 HydrophobicContact CD1-CE2 3.75Å; Y109-Y113 HydrophobicContact CE1-CE2 4.09Å; Y109-Y113 PolarHBondContact O-N 3.28Å; Y113-E115 PolarHBondContact O-N 2.75Å; Y113-E115 VanDerWaalsContact O-N 3.11Å; Y113-N116 PolarHBondContact O-N 3.09Å; Y113-N116 VanDerWaalsContact O-N 3.1Å; Y113-F117 WeakPolarHBondContact O-CB 3.41Å; Y113-F117 PolarHBondContact O-N 3.22Å
114P98.8Very high98.9Very high41 Ų4120.6 Ų20.627%0.26610%0.099SC..THydrogen-bonded Turntrans-61.6-25.7-170.424.2-34.3000114.2I44 Q48 K110I44-P114 HydrophobicContact CD1-CB 4.48Å; I44-P114 HydrophobicContact CG2-CB 3.99Å; Q48-P114 PolarHBondContact NE2-O 3.05Å; K110-P114 PolarHBondContact NZ-O 3.04Å; K110-P114 WeakPolarHBondContact O-CA 3.39Å
115E98.6Very high98.9Very high127 Ų12720.6 Ų20.659%0.59310%0.099SC*.THydrogen-bonded Turntrans-103.24.6-178.4-53.8-50.8129.600113.5Q48 Y113 F118Q48-E115 PolarHBondContact NE2-OE1 2.76Å; Y113-E115 PolarHBondContact O-N 2.75Å; Y113-E115 VanDerWaalsContact O-N 3.11Å; E115-F118 VanDerWaalsContact C-CZ 3.47Å; E115-F118 WeakPolarHBondContact O-CZ 3.37Å
116N98.7Very high98.8Very high62 Ų6220.7 Ų20.733%0.33210%0.1SC..THydrogen-bonded Turntrans-128.3-9.1178.9-57.594000112.8N85 Y86 Y113N85-N116 CarbonylContact C-O 3.43Å; N85-N116 WeakPolarHBondContact CA-O 3.4Å; N85-N116 VanDerWaalsContact OD1-CB 3.27Å; N85-N116 WeakPolarHBondContact OD1-CB 3.27Å; N85-N116 PolarHBondContact OD1-ND2 2.77Å; Y86-N116 PolarHBondContact N-O 3.15Å; Y113-N116 PolarHBondContact O-N 3.09Å; Y113-N116 VanDerWaalsContact O-N 3.1Å
117F98.9Very high98.7Very high0 Ų021.6 Ų21.60%011%0.107CC..EExtended strand (participates in β ladder)trans-132.7119.8-176-160.3-91.7000110.4F75 P81 Y86 F88 L106 Y109 K110 Y113 L119F75-F117 AromaticContact CE1-CE2 3.99Å; F75-F117 HydrophobicContact CE1-CE2 3.99Å; F75-F117 HydrophobicContact CE1-CZ 4.44Å; F75-F117 AromaticContact CZ-CE2 3.97Å; F75-F117 HydrophobicContact CZ-CE2 3.97Å; F75-F117 HydrophobicContact CZ-CZ 4.01Å; P81-F117 HydrophobicContact CB-CD2 4.18Å; P81-F117 HydrophobicContact CG-CD2 3.63Å; P81-F117 HydrophobicContact CG-CE2 3.63Å; Y86-F117 HydrophobicContact CD2-CD2 4.27Å; Y86-F117 HydrophobicContact CD2-CE2 4.18Å; Y86-F117 HydrophobicContact CG-CD2 4.28Å; Y86-F117 HydrophobicContact CG-CE2 4.02Å; F88-F117 HydrophobicContact CD2-CE1 4.45Å; F88-F117 HydrophobicContact CD2-CE2 4.44Å; F88-F117 AromaticContact CD2-CZ 3.94Å; F88-F117 HydrophobicContact CD2-CZ 3.94Å; F88-F117 HydrophobicContact CE2-CE1 4.4Å; F88-F117 AromaticContact CE2-CE2 3.77Å; F88-F117 HydrophobicContact CE2-CE2 3.77Å; F88-F117 AromaticContact CE2-CZ 3.48Å; F88-F117 HydrophobicContact CE2-CZ 3.48Å; F88-F117 VanDerWaalsContact CE2-CZ 3.48Å; F88-F117 HydrophobicContact CZ-CZ 4.36Å; L106-F117 HydrophobicContact CB-CE1 4.35Å; L106-F117 HydrophobicContact CD2-CE1 3.99Å; L106-F117 HydrophobicContact CD2-CZ 3.61Å; L106-F117 WeakPolarHBondContact O-CE1 3.39Å; Y109-F117 HydrophobicContact CD2-CE2 4.26Å; Y109-F117 HydrophobicContact CD2-CZ 4.22Å; Y109-F117 HydrophobicContact CG-CE2 4.42Å; K110-F117 HydrophobicContact CB-CD1 4.39Å; K110-F117 WeakPolarHBondContact CD-O 3.18Å; K110-F117 PolarHBondContact NZ-O 3.27Å; Y113-F117 WeakPolarHBondContact O-CB 3.41Å; Y113-F117 PolarHBondContact O-N 3.22Å; F117-L119 HydrophobicContact CD1-CD2 4.41Å; F117-L119 HydrophobicContact CD1-CG 4.36Å; F117-L119 HydrophobicContact CE1-CD1 4.35Å; F117-L119 HydrophobicContact CE1-CD2 3.72Å; F117-L119 HydrophobicContact CE1-CG 4.08Å; F117-L119 HydrophobicContact CZ-CD2 4.44Å
118F98.9Very high98.7Very high19 Ų1924.9 Ų24.98%0.08313%0.13CC..EExtended strand (participates in β ladder)trans-129.4141-170.3-55.6-82.5000110.9L52 L54 Y86 L87 F88 E115L52-F118 HydrophobicContact CD1-CB 4Å; L52-F118 HydrophobicContact CD1-CD1 3.92Å; L52-F118 HydrophobicContact CD1-CG 4.29Å; L54-F118 HydrophobicContact CD1-CB 4.32Å; L54-F118 HydrophobicContact CD1-CD2 4.03Å; L54-F118 HydrophobicContact CD1-CG 4.07Å; L54-F118 HydrophobicContact CD2-CD1 3.74Å; L54-F118 HydrophobicContact CD2-CD2 3.88Å; L54-F118 HydrophobicContact CD2-CE1 3.53Å; L54-F118 HydrophobicContact CD2-CE2 3.69Å; L54-F118 HydrophobicContact CD2-CG 3.91Å; L54-F118 HydrophobicContact CD2-CZ 3.5Å; L54-F118 VanDerWaalsContact CD2-CZ 3.5Å; Y86-F118 WeakPolarHBondContact O-CD2 3.2Å; Y86-F118 PolarHBondContact O-N 2.89Å; L87-F118 WeakPolarHBondContact CA-O 3.49Å; L87-F118 HydrophobicContact CD1-CB 3.7Å; F88-F118 PolarHBondContact N-O 3.41Å; E115-F118 VanDerWaalsContact C-CZ 3.47Å; E115-F118 WeakPolarHBondContact O-CZ 3.37Å
119L99Very high98.7Very high1 Ų126 Ų261%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-133115.1-175.4-63.3176.7000108F45 F88 Y92 L106 L107 K110 F117 L158 P159F45-L119 HydrophobicContact CE1-CB 4.3Å; F45-L119 HydrophobicContact CZ-CB 4.43Å; F45-L119 HydrophobicContact CZ-CD1 4.15Å; F88-L119 HydrophobicContact CB-CD2 3.77Å; F88-L119 HydrophobicContact CD2-CD2 3.88Å; F88-L119 HydrophobicContact CG-CD2 3.99Å; Y92-L119 HydrophobicContact CE1-CD2 3.96Å; Y92-L119 HydrophobicContact CE2-CB 4.48Å; Y92-L119 WeakPolarHBondContact OH-CA 3.38Å; Y92-L119 WeakPolarHBondContact OH-CB 3.33Å; L106-L119 HydrophobicContact CB-CD1 3.9Å; L106-L119 HydrophobicContact CB-CD2 4.13Å; L106-L119 HydrophobicContact CD1-CD2 4.34Å; L106-L119 HydrophobicContact CD2-CD2 4.28Å; L106-L119 HydrophobicContact CG-CD2 4.48Å; L107-L119 HydrophobicContact CD2-CD1 4.18Å; K110-L119 HydrophobicContact CB-CD1 4.31Å; F117-L119 HydrophobicContact CD1-CD2 4.41Å; F117-L119 HydrophobicContact CD1-CG 4.36Å; F117-L119 HydrophobicContact CE1-CD1 4.35Å; F117-L119 HydrophobicContact CE1-CD2 3.72Å; F117-L119 HydrophobicContact CE1-CG 4.08Å; F117-L119 HydrophobicContact CZ-CD2 4.44Å; L119-L158 HydrophobicContact CB-CD2 4.04Å; L119-P159 VanDerWaalsContact O-CD 3.26Å; L119-P159 WeakPolarHBondContact O-CD 3.39Å; L119-P159 WeakPolarHBondContact O-CG 3.48Å
120L98.9Very high98.6Very high0 Ų025.9 Ų25.90%014%0.135CC..  trans-83.5169.6170-59-172.9000111L52 L87 F88 L89 Y92 P159 A162 C170L52-L120 HydrophobicContact CD1-CD2 3.95Å; L87-L120 HydrophobicContact CD1-CD1 4.27Å; L87-L120 HydrophobicContact CD1-CD2 4.1Å; L87-L120 HydrophobicContact CD1-CG 3.8Å; F88-L120 WeakPolarHBondContact O-CB 3.31Å; F88-L120 PolarHBondContact O-N 2.84Å; L89-L120 HydrophobicContact CD2-CD1 3.84Å; Y92-L120 WeakPolarHBondContact CE2-O 3.26Å; Y92-L120 VanDerWaalsContact CZ-O 3.3Å; Y92-L120 PolarHBondContact OH-N 3Å; Y92-L120 VanDerWaalsContact OH-N 3.14Å; Y92-L120 PolarHBondContact OH-O 3.46Å; L120-P159 CarbonylContact C-O 3.48Å; L120-P159 WeakPolarHBondContact CA-O 3.39Å; L120-P159 HydrophobicContact CD2-CB 4.27Å; L120-P159 HydrophobicContact CD2-CG 4.1Å; L120-A162 HydrophobicContact CD1-CB 4.48Å; L120-A162 HydrophobicContact CD2-CB 4.28Å; L120-C170 HydrophobicContact CD1-CB 4.27Å
121R98.9Very high98.6Very high1 Ų130.7 Ų30.70%0.00415%0.154CC..  trans-91124.2175.3-160.7177-175.8173.14.5110.6E125 F155 N156 L158 P159 I160 H172 T192 L204R121-E125 HydrophobicContact CG-CB 3.84Å; R121-E125 PolarHBondContact NE-O 2.88Å; R121-E125 PolarHBondContact NH2-O 2.78Å; R121-F155 PolarHBondContact NE-O 2.98Å; R121-N156 PolarHBondContact NH2-OD1 2.96Å; R121-L158 HydrophobicContact CB-CB 3.71Å; R121-L158 HydrophobicContact CB-CD1 4.32Å; R121-L158 HydrophobicContact CG-CB 4.01Å; R121-L158 HydrophobicContact CG-CD1 4.12Å; R121-P159 PolarHBondContact N-O 3.3Å; R121-I160 HydrophobicContact CB-CD1 3.7Å; R121-I160 HydrophobicContact CG-CD1 4.32Å; R121-H172 WeakPolarHBondContact O-CB 3.27Å; R121-T192 PolarHBondContact NH1-O 3.32Å; R121-L204 HydrophobicContact CG-CD2 4.17Å
122G98.9Very high98.6Very high0 Ų034.3 Ų34.30%017%0.172CC..  trans-91.4174.3165.400000112.1D91 H124 E125 H172D91-G122 WeakPolarHBondContact OD1-CA 3.38Å; G122-H124 PolarHBondContact O-N 3.42Å; G122-E125 VanDerWaalsContact CA-OE2 3.24Å; G122-E125 WeakPolarHBondContact CA-OE2 3.09Å; G122-E125 PolarHBondContact N-OE2 3.05Å; G122-E125 PolarHBondContact O-N 3.07Å; G122-H172 VanDerWaalsContact CA-CG 3.43Å
123N98.8Very high98.5Very high2 Ų235 Ų351%0.01117%0.173CC..THydrogen-bonded Turntrans-72.1-19.117967-65.5000112.5D91 E125 C126 H172 L204 W205 H247D91-N123 PolarHBondContact OD1-N 3.25Å; D91-N123 PolarHBondContact OD1-OD1 3.41Å; D91-N123 PolarHBondContact OD2-OD1 2.91Å; N123-E125 VanDerWaalsContact C-N 3.34Å; N123-C126 PolarHBondContact O-SG 2.8Å; N123-H172 PolarHBondContact OD1-CD2 3.05Å; N123-H172 PolarHBondContact OD1-NE2 2.88Å; N123-L204 HydrophobicContact CB-CB 4.26Å; N123-W205 HydrophobicContact CB-CD2 3.88Å; N123-W205 VanDerWaalsContact CB-CE2 3.47Å; N123-W205 HydrophobicContact CB-CE3 4.42Å; N123-W205 HydrophobicContact CB-CG 4.34Å; N123-W205 HydrophobicContact CB-CH2 4.33Å; N123-W205 HydrophobicContact CB-CZ2 3.73Å; N123-W205 WeakPolarHBondContact ND2-CH2 3.17Å; N123-W205 WeakPolarHBondContact ND2-CZ2 3.33Å; N123-W205 WeakPolarHBondContact ND2-CZ3 3.27Å; N123-H247 PolarHBondContact OD1-CE1 3.24Å; N123-H247 PolarHBondContact OD1-ND1 3.48Å
124H98.8Very high98.5Very high11 Ų1133.8 Ų33.85%0.05118%0.177CC..THydrogen-bonded Turntrans-79.9-13.3172.9-77.8-101.9000113.7H65 D91 V93 D94 G122 C126 I129 N130 Y133H65-H124 AromaticContact CE1-CD2 3.61Å; H65-H124 AromaticContact CE1-CG 3.8Å; H65-H124 AromaticContact CE1-NE2 3.79Å; D91-H124 WeakPolarHBondContact OD1-CB 3.4Å; D91-H124 IonicContact OD1-CD2 3.44Å; D91-H124 IonicContact OD1-CG 2.92Å; D91-H124 PolarHBondContact OD1-N 2.94Å; D91-H124 IonicContact OD2-CD2 3.31Å; D91-H124 PolarHBondContact OD2-CD2 2.92Å; D91-H124 IonicContact OD2-CG 3.03Å; V93-H124 HydrophobicContact CG2-CB 4.43Å; D94-H124 VanDerWaalsContact CB-ND1 3.34Å; D94-H124 WeakPolarHBondContact CB-ND1 3.32Å; D94-H124 IonicContact OD2-CE1 3.77Å; D94-H124 IonicContact OD2-CG 3.58Å; D94-H124 IonicContact OD2-ND1 3.47Å; D94-H124 PolarHBondContact OD2-ND1 2.8Å; G122-H124 PolarHBondContact O-N 3.42Å; H124-C126 PolarHBondContact O-N 3.1Å; H124-I129 HydrophobicContact CB-CG2 4.35Å; H124-I129 WeakPolarHBondContact ND1-CG2 3.39Å; H124-N130 WeakPolarHBondContact O-CB 3.43Å; H124-N130 PolarHBondContact O-ND2 3.4Å; H124-Y133 AromaticContact CE1-CD2 3.99Å
125E98.9Very high98.5Very high0 Ų031.9 Ų31.90%016%0.164CC..SBendtrans-83.140.7170.9-7574.7-129.100112.3D91 Y92 R121 G122 N123 F155 L158D91-E125 PolarHBondContact N-OE2 3.48Å; Y92-E125 HydrophobicContact CD2-CG 3.71Å; Y92-E125 WeakPolarHBondContact CD2-OE1 3.48Å; Y92-E125 HydrophobicContact CE2-CG 4.1Å; Y92-E125 PolarHBondContact N-OE1 3.45Å; R121-E125 HydrophobicContact CG-CB 3.84Å; R121-E125 PolarHBondContact NE-O 2.88Å; R121-E125 PolarHBondContact NH2-O 2.78Å; G122-E125 VanDerWaalsContact CA-OE2 3.24Å; G122-E125 WeakPolarHBondContact CA-OE2 3.09Å; G122-E125 PolarHBondContact N-OE2 3.05Å; G122-E125 PolarHBondContact O-N 3.07Å; N123-E125 VanDerWaalsContact C-N 3.34Å; E125-F155 HydrophobicContact CB-CB 4Å; E125-F155 HydrophobicContact CB-CD1 4.3Å; E125-F155 HydrophobicContact CB-CD2 4.15Å; E125-F155 HydrophobicContact CB-CG 3.91Å; E125-F155 HydrophobicContact CG-CD1 3.92Å; E125-F155 HydrophobicContact CG-CD2 4.22Å; E125-F155 HydrophobicContact CG-CE1 4.11Å; E125-F155 HydrophobicContact CG-CE2 4.38Å; E125-F155 HydrophobicContact CG-CG 3.99Å; E125-F155 HydrophobicContact CG-CZ 4.34Å; E125-F155 WeakPolarHBondContact O-CB 3.48Å; E125-L158 HydrophobicContact CB-CD1 3.95Å; E125-L158 HydrophobicContact CG-CD1 3.82Å
126C97.6Very high98.5Very high2 Ų226.7 Ų26.71%0.01414%0.14CC..SBendtrans-135.4151.7170.681.20000111.6N123 H124 S128 I129 N130 V194N123-C126 PolarHBondContact O-SG 2.8Å; H124-C126 PolarHBondContact O-N 3.1Å; C126-S128 PolarHBondContact O-N 3.27Å; C126-S128 PolarHBondContact SG-OG 3.04Å; C126-S128 VanDerWaalsContact SG-OG 3.38Å; C126-I129 PolarHBondContact O-N 3.4Å; C126-I129 WeakPolarHBondContact SG-CG1 3.41Å; C126-N130 PolarHBondContact O-N 2.92Å; C126-N130 VanDerWaalsContact O-N 3.1Å; C126-N130 PolarHBondContact O-ND2 3.01Å; C126-N130 PolarHBondContact O-OD1 3.33Å; C126-V194 HydrophobicContact CB-CB 4.07Å; C126-V194 HydrophobicContact CB-CG2 3.69Å
127A98.2Very high98.5Very high19 Ų1927.7 Ų27.716%0.15715%0.145CC..Hα-helixtrans-66.1-37.6-170.300000112.9I129 R131 W148 T152A127-I129 VanDerWaalsContact C-N 3.33Å; A127-I129 PolarHBondContact O-N 2.91Å; A127-R131 WeakPolarHBondContact O-CB 3.38Å; A127-R131 PolarHBondContact O-N 3.12Å; A127-R131 VanDerWaalsContact O-N 3.1Å; A127-W148 HydrophobicContact CB-CH2 4.01Å; A127-W148 HydrophobicContact CB-CZ2 3.9Å; A127-T152 HydrophobicContact CB-CG2 3.85Å
128S97.4Very high98.5Very high70 Ų7028.1 Ų28.149%0.4915%0.147SC..Hα-helixtrans-63-39.4-178.252.40000112.2C126C126-S128 PolarHBondContact O-N 3.27Å; C126-S128 PolarHBondContact SG-OG 3.04Å; C126-S128 VanDerWaalsContact SG-OG 3.38Å
129I98.4Very high98.5Very high24 Ų2427.2 Ų27.212%0.12314%0.143CC..Hα-helixtrans-79.6-54.6-178.7-61.8-58.5000111H124 C126 A127 R131 I132 Y133 W205H124-I129 HydrophobicContact CB-CG2 4.35Å; H124-I129 WeakPolarHBondContact ND1-CG2 3.39Å; C126-I129 PolarHBondContact O-N 3.4Å; C126-I129 WeakPolarHBondContact SG-CG1 3.41Å; A127-I129 VanDerWaalsContact C-N 3.33Å; A127-I129 PolarHBondContact O-N 2.91Å; I129-R131 PolarHBondContact O-N 3.41Å; I129-R131 VanDerWaalsContact O-N 3.09Å; I129-I132 WeakPolarHBondContact O-CG1 3.44Å; I129-I132 PolarHBondContact O-N 3.17Å; I129-Y133 HydrophobicContact CD1-CE2 4.42Å; I129-Y133 HydrophobicContact CG2-CD2 3.64Å; I129-Y133 HydrophobicContact CG2-CE2 4.11Å; I129-Y133 VanDerWaalsContact O-CD2 3.32Å; I129-Y133 WeakPolarHBondContact O-CD2 3.23Å; I129-Y133 PolarHBondContact O-N 3.4Å; I129-W205 HydrophobicContact CD1-CH2 3.73Å; I129-W205 HydrophobicContact CD1-CZ2 3.62Å; I129-W205 HydrophobicContact CG1-CH2 4.25Å; I129-W205 HydrophobicContact CG1-CZ2 3.78Å
130N98.6Very high98.4Very high0 Ų032.5 Ų32.50%017%0.166CC..Hα-helixtrans-75.9-2.7-17573.335.3000114.6V93 D94 H124 C126 I132 F135 Y136 W148V93-N130 HydrophobicContact CG2-CB 4.19Å; D94-N130 WeakPolarHBondContact OD1-CA 3.3Å; D94-N130 WeakPolarHBondContact OD2-CA 3.48Å; D94-N130 WeakPolarHBondContact OD2-CB 3.34Å; H124-N130 WeakPolarHBondContact O-CB 3.43Å; H124-N130 PolarHBondContact O-ND2 3.4Å; C126-N130 PolarHBondContact O-N 2.92Å; C126-N130 VanDerWaalsContact O-N 3.1Å; C126-N130 PolarHBondContact O-ND2 3.01Å; C126-N130 PolarHBondContact O-OD1 3.33Å; N130-I132 VanDerWaalsContact C-N 3.31Å; N130-F135 HydrophobicContact CB-CB 3.93Å; N130-F135 HydrophobicContact CB-CD1 4.38Å; N130-Y136 WeakPolarHBondContact O-CB 3.29Å; N130-Y136 PolarHBondContact O-N 3.5Å; N130-W148 PolarHBondContact OD1-NE1 3.4Å
131R98.2Very high98.4Very high102 Ų10240.3 Ų40.339%0.38520%0.195SC..THydrogen-bonded Turntrans-67.4-30.4165.4179.361.4-17584.7-1.5113.1A127 I129 Y136 W148A127-R131 WeakPolarHBondContact O-CB 3.38Å; A127-R131 PolarHBondContact O-N 3.12Å; A127-R131 VanDerWaalsContact O-N 3.1Å; I129-R131 PolarHBondContact O-N 3.41Å; I129-R131 VanDerWaalsContact O-N 3.09Å; R131-Y136 VanDerWaalsContact NH1-CE1 3.3Å; R131-W148 HydrophobicContact CB-CZ2 4.17Å
132I97.7Very high98.3Very high110 Ų11042.8 Ų42.856%0.56421%0.205SC*.THydrogen-bonded Turntrans-117-20.2-169.560.2169.7000113.8I129 N130I129-I132 WeakPolarHBondContact O-CG1 3.44Å; I129-I132 PolarHBondContact O-N 3.17Å; N130-I132 VanDerWaalsContact C-N 3.31Å
133Y97.6Very high98.3Very high92 Ų9244.9 Ų44.936%0.36121%0.214SC..SBendtrans-100.16.7-176.1-67.3-66.6000115.4D94 R95 H124 I129D94-Y133 WeakPolarHBondContact CB-O 3.25Å; D94-Y133 VanDerWaalsContact OD1-C 3.23Å; R95-Y133 PolarHBondContact N-O 3.45Å; H124-Y133 AromaticContact CE1-CD2 3.99Å; I129-Y133 HydrophobicContact CD1-CE2 4.42Å; I129-Y133 HydrophobicContact CG2-CD2 3.64Å; I129-Y133 HydrophobicContact CG2-CE2 4.11Å; I129-Y133 VanDerWaalsContact O-CD2 3.32Å; I129-Y133 WeakPolarHBondContact O-CD2 3.23Å; I129-Y133 PolarHBondContact O-N 3.4Å
134G98.1Very high98.3Very high27 Ų2747 Ų4728%0.27823%0.225SC..SBendtrans132.7-28.116000000116.1D94 Y136 D137 E138D94-G134 PolarHBondContact OD1-N 2.9Å; D94-G134 VanDerWaalsContact OD1-N 3.12Å; G134-Y136 PolarHBondContact O-N 2.97Å; G134-D137 PolarHBondContact O-N 3Å; G134-E138 PolarHBondContact O-N 3.17Å
135F98.8Very high98.3Very high0 Ų049.6 Ų49.60%024%0.239CC..Hα-helixtrans-66.3-41.1-172.2-173.8-126.5000112.9V93 D94 L100 I103 N130 D137 E138 C139 W148 F151 F155V93-F135 HydrophobicContact CB-CB 4.03Å; V93-F135 HydrophobicContact CB-CD1 4.29Å; V93-F135 HydrophobicContact CB-CD2 3.84Å; V93-F135 HydrophobicContact CB-CE2 4.34Å; V93-F135 HydrophobicContact CB-CG 3.8Å; V93-F135 HydrophobicContact CG1-CD1 4.3Å; V93-F135 HydrophobicContact CG1-CD2 3.79Å; V93-F135 HydrophobicContact CG1-CE1 4.29Å; V93-F135 HydrophobicContact CG1-CE2 3.77Å; V93-F135 HydrophobicContact CG1-CG 4.05Å; V93-F135 HydrophobicContact CG1-CZ 4.02Å; V93-F135 HydrophobicContact CG2-CB 4.1Å; V93-F135 HydrophobicContact CG2-CD1 4.16Å; V93-F135 HydrophobicContact CG2-CG 4.03Å; D94-F135 WeakPolarHBondContact OD1-CB 3.28Å; D94-F135 PolarHBondContact OD1-N 2.84Å; L100-F135 HydrophobicContact CD2-CE2 4.11Å; L100-F135 HydrophobicContact CG-CE2 4.25Å; I103-F135 HydrophobicContact CG2-CE2 4.3Å; I103-F135 HydrophobicContact CG2-CZ 4.25Å; N130-F135 HydrophobicContact CB-CB 3.93Å; N130-F135 HydrophobicContact CB-CD1 4.38Å; F135-D137 VanDerWaalsContact C-N 3.32Å; F135-D137 PolarHBondContact O-N 2.9Å; F135-E138 PolarHBondContact O-N 2.95Å; F135-C139 WeakPolarHBondContact O-CB 3.41Å; F135-C139 PolarHBondContact O-N 3.4Å; F135-C139 PolarHBondContact O-SG 3.47Å; F135-W148 AromaticContact CD1-CD1 3.85Å; F135-F151 HydrophobicContact CE1-CB 3.7Å; F135-F151 HydrophobicContact CE1-CD1 4.35Å; F135-F151 AromaticContact CE1-CD2 3.95Å; F135-F151 HydrophobicContact CE1-CD2 3.95Å; F135-F151 AromaticContact CE1-CG 3.76Å; F135-F151 HydrophobicContact CE1-CG 3.76Å; F135-F151 HydrophobicContact CZ-CB 4.08Å; F135-F151 AromaticContact CZ-CD1 3.93Å; F135-F151 HydrophobicContact CZ-CD1 3.93Å; F135-F151 AromaticContact CZ-CD2 3.56Å; F135-F151 HydrophobicContact CZ-CD2 3.56Å; F135-F151 HydrophobicContact CZ-CE1 4.21Å; F135-F151 AromaticContact CZ-CE2 3.86Å; F135-F151 HydrophobicContact CZ-CE2 3.86Å; F135-F151 AromaticContact CZ-CG 3.6Å; F135-F151 HydrophobicContact CZ-CG 3.6Å; F135-F151 HydrophobicContact CZ-CZ 4.16Å; F135-F155 HydrophobicContact CD1-CE2 4.16Å; F135-F155 AromaticContact CE1-CE2 3.68Å; F135-F155 HydrophobicContact CE1-CE2 3.68Å; F135-F155 AromaticContact CE1-CZ 3.92Å; F135-F155 HydrophobicContact CE1-CZ 3.92Å; F135-F155 HydrophobicContact CZ-CE2 4.46Å; F135-F155 HydrophobicContact CZ-CZ 4.26Å
136Y98.8Very high98.3Very high19 Ų1956.2 Ų56.28%0.07527%0.268CS..Hα-helixtrans-56.6-47173171.7-85.9000111.9N130 R131 G134 E138 C139 K140 I145 W148N130-Y136 WeakPolarHBondContact O-CB 3.29Å; N130-Y136 PolarHBondContact O-N 3.5Å; R131-Y136 VanDerWaalsContact NH1-CE1 3.3Å; G134-Y136 PolarHBondContact O-N 2.97Å; Y136-E138 VanDerWaalsContact C-N 3.33Å; Y136-C139 PolarHBondContact O-N 2.96Å; Y136-K140 HydrophobicContact CE1-CB 4.44Å; Y136-K140 HydrophobicContact CE1-CD 3.86Å; Y136-K140 VanDerWaalsContact O-CB 3.29Å; Y136-K140 WeakPolarHBondContact O-CB 3.45Å; Y136-K140 PolarHBondContact O-N 3.24Å; Y136-I145 HydrophobicContact CE2-CG1 4.19Å; Y136-I145 HydrophobicContact CE2-CG2 4Å; Y136-I145 VanDerWaalsContact OH-CD1 3.25Å; Y136-I145 WeakPolarHBondContact OH-CD1 3.27Å; Y136-W148 AromaticContact CD2-CD2 3.53Å; Y136-W148 HydrophobicContact CD2-CD2 3.53Å; Y136-W148 AromaticContact CD2-CE2 3.78Å; Y136-W148 AromaticContact CD2-CE3 3.72Å; Y136-W148 HydrophobicContact CD2-CE3 3.72Å; Y136-W148 AromaticContact CD2-CG 3.89Å; Y136-W148 HydrophobicContact CD2-CG 3.89Å; Y136-W148 HydrophobicContact CD2-CH2 4.36Å; Y136-W148 HydrophobicContact CD2-CZ2 4.19Å; Y136-W148 HydrophobicContact CD2-CZ3 4.14Å; Y136-W148 HydrophobicContact CE2-CD2 4.28Å; Y136-W148 HydrophobicContact CE2-CE3 4.02Å; Y136-W148 HydrophobicContact CE2-CZ3 4.32Å; Y136-W148 HydrophobicContact CG-CD2 4.49Å
137D98.6Very high98.3Very high83 Ų8356.2 Ų56.244%0.44427%0.267SS..Hα-helixtrans-68.9-35.3-179.1-73-35.1000111.2G134 F135 R141G134-D137 PolarHBondContact O-N 3Å; F135-D137 VanDerWaalsContact C-N 3.32Å; F135-D137 PolarHBondContact O-N 2.9Å; D137-R141 WeakPolarHBondContact O-CB 3.19Å; D137-R141 PolarHBondContact O-N 2.89Å
138E98.6Very high98.3Very high9 Ų956.7 Ų56.74%0.04227%0.265CS..Hα-helixtrans-62-49.3172.6-161.4-172.7154.800111.5S99 L100 G134 F135 Y136 R141 R142S99-E138 WeakPolarHBondContact CA-OE2 3.44Å; S99-E138 WeakPolarHBondContact CB-OE2 3.21Å; S99-E138 PolarHBondContact N-OE2 2.76Å; S99-E138 PolarHBondContact OG-OE2 3.03Å; L100-E138 WeakPolarHBondContact CB-OE1 3.45Å; L100-E138 HydrophobicContact CD1-CG 3.89Å; L100-E138 HydrophobicContact CG-CG 4.37Å; L100-E138 PolarHBondContact N-OE1 2.93Å; G134-E138 PolarHBondContact O-N 3.17Å; F135-E138 PolarHBondContact O-N 2.95Å; Y136-E138 VanDerWaalsContact C-N 3.33Å; E138-R141 PolarHBondContact O-N 3.34Å; E138-R142 WeakPolarHBondContact O-CB 3.4Å; E138-R142 PolarHBondContact O-N 3.32Å; E138-R142 IonicContact OE1-NH1 3.2Å; E138-R142 PolarHBondContact OE1-NH1 3.36Å
139C98.7Very high98.4Very high0 Ų059 Ų590%027%0.266CS..Hα-helixtrans-60.6-47.9176.7-71.50000111.8F135 Y136 R141 R142 F143 N144 W148F135-C139 WeakPolarHBondContact O-CB 3.41Å; F135-C139 PolarHBondContact O-N 3.4Å; F135-C139 PolarHBondContact O-SG 3.47Å; Y136-C139 PolarHBondContact O-N 2.96Å; C139-R141 VanDerWaalsContact C-N 3.31Å; C139-R141 PolarHBondContact O-N 2.88Å; C139-R142 PolarHBondContact O-N 3.16Å; C139-F143 CarbonylContact O-C 3.49Å; C139-F143 VanDerWaalsContact O-C 3.26Å; C139-F143 WeakPolarHBondContact O-CA 3.29Å; C139-F143 PolarHBondContact O-N 3.42Å; C139-N144 PolarHBondContact O-N 3.29Å; C139-N144 VanDerWaalsContact O-N 3.08Å; C139-W148 HydrophobicContact CB-CB 3.77Å
140K98.3Very high98.4Very high111 Ų11159 Ų5948%0.48327%0.267SS..Hα-helixtrans-61.2-39.7179.3178.3180175.3-172.70112Y136 I145Y136-K140 HydrophobicContact CE1-CB 4.44Å; Y136-K140 HydrophobicContact CE1-CD 3.86Å; Y136-K140 VanDerWaalsContact O-CB 3.29Å; Y136-K140 WeakPolarHBondContact O-CB 3.45Å; Y136-K140 PolarHBondContact O-N 3.24Å; K140-I145 HydrophobicContact CB-CG1 4.31Å; K140-I145 HydrophobicContact CD-CD1 4.37Å; K140-I145 HydrophobicContact CD-CG1 4.3Å; K140-I145 HydrophobicContact CG-CG1 4.1Å
141R98.2Very high98.4Very high165 Ų16559 Ų5962%0.62327%0.267SS*.Hα-helixtrans-74.9-39.2-178.1179.3177.555.575.50.3112.9D137 E138 C139D137-R141 WeakPolarHBondContact O-CB 3.19Å; D137-R141 PolarHBondContact O-N 2.89Å; E138-R141 PolarHBondContact O-N 3.34Å; C139-R141 VanDerWaalsContact C-N 3.31Å; C139-R141 PolarHBondContact O-N 2.88Å
142R98.1Very high98.4Very high52 Ų5255 Ų5520%0.19625%0.254CS..Hα-helixtrans-94.5-25.3-174.2-69.7-179.156.2-175.73.9113.9I26 V27 L100 E101 E138 C139I26-R142 VanDerWaalsContact CG2-NH2 3.32Å; V27-R142 PolarHBondContact O-NH2 2.78Å; L100-R142 HydrophobicContact CD1-CB 3.97Å; L100-R142 HydrophobicContact CD1-CG 4.4Å; E101-R142 IonicContact OE1-CZ 2.75Å; E101-R142 VanDerWaalsContact OE1-CZ 3.3Å; E101-R142 IonicContact OE1-NH1 3.46Å; E101-R142 PolarHBondContact OE1-NH1 3.31Å; E101-R142 IonicContact OE1-NH2 2.81Å; E101-R142 PolarHBondContact OE1-NH2 2.92Å; E101-R142 IonicContact OE2-CZ 3.52Å; E101-R142 IonicContact OE2-NH1 3.63Å; E101-R142 PolarHBondContact OE2-NH1 3.44Å; E101-R142 IonicContact OE2-NH2 3.85Å; E138-R142 WeakPolarHBondContact O-CB 3.4Å; E138-R142 PolarHBondContact O-N 3.32Å; E138-R142 IonicContact OE1-NH1 3.2Å; E138-R142 PolarHBondContact OE1-NH1 3.36Å; C139-R142 PolarHBondContact O-N 3.16Å
143F98.3Very high98.5Very high45 Ų4553.9 Ų53.920%0.19725%0.249CC..SBendtrans-136-106.4180-64.1-77.8000109.2M29 E31 V34 L100 C139 L147M29-F143 HydrophobicContact CB-CZ 4.41Å; M29-F143 VanDerWaalsContact O-CE1 3.28Å; M29-F143 WeakPolarHBondContact O-CE1 3.39Å; M29-F143 WeakPolarHBondContact O-CZ 3.16Å; E31-F143 HydrophobicContact CB-CD1 4.12Å; E31-F143 HydrophobicContact CB-CE1 4.49Å; V34-F143 HydrophobicContact CG2-CE2 4.37Å; V34-F143 HydrophobicContact CG2-CZ 3.99Å; L100-F143 HydrophobicContact CD1-CD2 3.89Å; L100-F143 HydrophobicContact CD1-CE2 3.84Å; L100-F143 HydrophobicContact CD2-CD2 4.33Å; L100-F143 HydrophobicContact CD2-CE2 4.22Å; C139-F143 CarbonylContact O-C 3.49Å; C139-F143 VanDerWaalsContact O-C 3.26Å; C139-F143 WeakPolarHBondContact O-CA 3.29Å; C139-F143 PolarHBondContact O-N 3.42Å; F143-L147 HydrophobicContact CB-CB 4.34Å; F143-L147 HydrophobicContact CB-CD2 3.49Å; F143-L147 VanDerWaalsContact CB-CD2 3.49Å; F143-L147 HydrophobicContact CD1-CD2 3.95Å; F143-L147 HydrophobicContact CD2-CD2 3.49Å; F143-L147 VanDerWaalsContact CD2-CD2 3.49Å; F143-L147 HydrophobicContact CE2-CD2 4.14Å; F143-L147 HydrophobicContact CG-CD2 3.37Å
144N98.1Very high98.6Very high46 Ų4649.5 Ų49.525%0.24623%0.232CC..  trans-158.8172.1179.162.155.1000110.9E31 C139 K146 L147E31-N144 PolarHBondContact OE1-ND2 3.49Å; E31-N144 PolarHBondContact OE2-ND2 3.07Å; C139-N144 PolarHBondContact O-N 3.29Å; C139-N144 VanDerWaalsContact O-N 3.08Å; N144-K146 VanDerWaalsContact C-N 3.28Å; N144-K146 PolarHBondContact O-N 3.35Å; N144-K146 WeakPolarHBondContact OD1-CA 3.46Å; N144-K146 VanDerWaalsContact OD1-CB 3.24Å; N144-K146 WeakPolarHBondContact OD1-CB 3.32Å; N144-K146 PolarHBondContact OD1-N 2.98Å; N144-L147 PolarHBondContact O-N 3.37Å; N144-L147 PolarHBondContact OD1-N 2.8Å
145I98.5Very high98.6Very high66 Ų6648.3 Ų48.334%0.33822%0.22SC..Hα-helixtrans-67.7-28.7180-63.4166.9000112Y136 K140 L147 W148 K149Y136-I145 HydrophobicContact CE2-CG1 4.19Å; Y136-I145 HydrophobicContact CE2-CG2 4Å; Y136-I145 VanDerWaalsContact OH-CD1 3.25Å; Y136-I145 WeakPolarHBondContact OH-CD1 3.27Å; K140-I145 HydrophobicContact CB-CG1 4.31Å; K140-I145 HydrophobicContact CD-CD1 4.37Å; K140-I145 HydrophobicContact CD-CG1 4.3Å; K140-I145 HydrophobicContact CG-CG1 4.1Å; I145-L147 VanDerWaalsContact C-N 3.3Å; I145-L147 PolarHBondContact O-N 3.32Å; I145-W148 PolarHBondContact O-N 3.45Å; I145-K149 PolarHBondContact O-N 3.03Å
146K98.5Very high98.6Very high139 Ų13949.3 Ų49.360%0.60423%0.225SC*.Hα-helixtrans-64.3-39179.2-176.2-175.8176.9-176.10110.6N144 K149 T150N144-K146 VanDerWaalsContact C-N 3.28Å; N144-K146 PolarHBondContact O-N 3.35Å; N144-K146 WeakPolarHBondContact OD1-CA 3.46Å; N144-K146 VanDerWaalsContact OD1-CB 3.24Å; N144-K146 WeakPolarHBondContact OD1-CB 3.32Å; N144-K146 PolarHBondContact OD1-N 2.98Å; K146-K149 WeakPolarHBondContact O-CB 3.47Å; K146-K149 PolarHBondContact O-N 3.49Å; K146-T150 PolarHBondContact O-N 2.85Å; K146-T150 PolarHBondContact O-OG1 3.17Å
147L98.3Very high98.6Very high1 Ų148.4 Ų48.41%0.00522%0.221CC..Hα-helixtrans-64.7-39.3176.7-167.464.9000112.3E31 V34 R35 F143 N144 I145 K149 T150 F151E31-L147 HydrophobicContact CG-CD1 4.25Å; V34-L147 HydrophobicContact CB-CD1 4.21Å; V34-L147 HydrophobicContact CB-CD2 4.17Å; V34-L147 HydrophobicContact CG1-CD1 3.97Å; V34-L147 HydrophobicContact CG1-CD2 3.88Å; V34-L147 HydrophobicContact CG1-CG 4.2Å; R35-L147 HydrophobicContact CB-CD1 4.3Å; F143-L147 HydrophobicContact CB-CB 4.34Å; F143-L147 HydrophobicContact CB-CD2 3.49Å; F143-L147 VanDerWaalsContact CB-CD2 3.49Å; F143-L147 HydrophobicContact CD1-CD2 3.95Å; F143-L147 HydrophobicContact CD2-CD2 3.49Å; F143-L147 VanDerWaalsContact CD2-CD2 3.49Å; F143-L147 HydrophobicContact CE2-CD2 4.14Å; F143-L147 HydrophobicContact CG-CD2 3.37Å; N144-L147 PolarHBondContact O-N 3.37Å; N144-L147 PolarHBondContact OD1-N 2.8Å; I145-L147 VanDerWaalsContact C-N 3.3Å; I145-L147 PolarHBondContact O-N 3.32Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 3.43Å; L147-T150 WeakPolarHBondContact O-CB 3.49Å; L147-T150 PolarHBondContact O-N 2.92Å; L147-T150 VanDerWaalsContact O-N 3.11Å; L147-F151 HydrophobicContact CD2-CE2 4.36Å; L147-F151 HydrophobicContact CG-CD2 4.31Å; L147-F151 HydrophobicContact CG-CE2 4.04Å; L147-F151 WeakPolarHBondContact O-CD2 3.21Å; L147-F151 PolarHBondContact O-N 3.31Å
148W98.8Very high98.6Very high29 Ų2944.6 Ų44.611%0.1120%0.201CC..Hα-helixtrans-58.5-42.7172.4171.977.1000111.9A127 N130 R131 F135 Y136 C139 I145 T150 F151 T152A127-W148 HydrophobicContact CB-CH2 4.01Å; A127-W148 HydrophobicContact CB-CZ2 3.9Å; N130-W148 PolarHBondContact OD1-NE1 3.4Å; R131-W148 HydrophobicContact CB-CZ2 4.17Å; F135-W148 AromaticContact CD1-CD1 3.85Å; Y136-W148 AromaticContact CD2-CD2 3.53Å; Y136-W148 HydrophobicContact CD2-CD2 3.53Å; Y136-W148 AromaticContact CD2-CE2 3.78Å; Y136-W148 AromaticContact CD2-CE3 3.72Å; Y136-W148 HydrophobicContact CD2-CE3 3.72Å; Y136-W148 AromaticContact CD2-CG 3.89Å; Y136-W148 HydrophobicContact CD2-CG 3.89Å; Y136-W148 HydrophobicContact CD2-CH2 4.36Å; Y136-W148 HydrophobicContact CD2-CZ2 4.19Å; Y136-W148 HydrophobicContact CD2-CZ3 4.14Å; Y136-W148 HydrophobicContact CE2-CD2 4.28Å; Y136-W148 HydrophobicContact CE2-CE3 4.02Å; Y136-W148 HydrophobicContact CE2-CZ3 4.32Å; Y136-W148 HydrophobicContact CG-CD2 4.49Å; C139-W148 HydrophobicContact CB-CB 3.77Å; I145-W148 PolarHBondContact O-N 3.45Å; W148-T150 VanDerWaalsContact C-N 3.31Å; W148-T150 PolarHBondContact O-N 2.75Å; W148-F151 WeakPolarHBondContact O-CB 3.32Å; W148-F151 PolarHBondContact O-N 2.92Å; W148-F151 VanDerWaalsContact O-N 3.13Å; W148-T152 PolarHBondContact O-N 3.13Å; W148-T152 PolarHBondContact O-OG1 3.35Å
149K98.8Very high98.6Very high120 Ų12044.3 Ų44.352%0.52220%0.2SC..Hα-helixtrans-62.3-38.2174.4-64.5-176.9177.6-173.60112.2I145 K146 L147 F151 T152 D153I145-K149 PolarHBondContact O-N 3.03Å; K146-K149 WeakPolarHBondContact O-CB 3.47Å; K146-K149 PolarHBondContact O-N 3.49Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 3.43Å; K149-F151 VanDerWaalsContact C-N 3.32Å; K149-F151 PolarHBondContact O-N 2.84Å; K149-T152 WeakPolarHBondContact O-CB 3.48Å; K149-T152 PolarHBondContact O-N 3.16Å; K149-T152 VanDerWaalsContact O-N 3.17Å; K149-D153 PolarHBondContact O-N 2.57Å
150T98.8Very high98.7Very high23 Ų2344.3 Ų44.314%0.14120%0.2CC..Hα-helixtrans-62.3-38.4173.6-55.80000112.1R35 C38 K146 L147 W148 D153 C154R35-T150 HydrophobicContact CG-CG2 4.17Å; C38-T150 HydrophobicContact CB-CG2 3.69Å; K146-T150 PolarHBondContact O-N 2.85Å; K146-T150 PolarHBondContact O-OG1 3.17Å; L147-T150 WeakPolarHBondContact O-CB 3.49Å; L147-T150 PolarHBondContact O-N 2.92Å; L147-T150 VanDerWaalsContact O-N 3.11Å; W148-T150 VanDerWaalsContact C-N 3.31Å; W148-T150 PolarHBondContact O-N 2.75Å; T150-D153 PolarHBondContact O-N 3.31Å; T150-C154 PolarHBondContact O-N 3.3Å; T150-C154 VanDerWaalsContact O-N 3.16Å
151F98.9Very high98.7Very high0 Ų039 Ų390%018%0.177CC..Hα-helixtrans-63.9-43.8170.6-80.8-71.2000112V34 C38 L100 I103 L107 F135 L147 W148 K149 D153 C154 F155V34-F151 HydrophobicContact CG1-CE1 4.3Å; V34-F151 HydrophobicContact CG1-CE2 3.58Å; V34-F151 HydrophobicContact CG1-CZ 3.29Å; C38-F151 WeakPolarHBondContact SG-CD1 3.38Å; C38-F151 WeakPolarHBondContact SG-CE1 3.45Å; L100-F151 HydrophobicContact CD2-CE2 3.62Å; L100-F151 HydrophobicContact CD2-CZ 3.89Å; I103-F151 HydrophobicContact CG1-CE1 4.27Å; I103-F151 HydrophobicContact CG2-CD1 4.29Å; I103-F151 HydrophobicContact CG2-CE1 3.53Å; I103-F151 HydrophobicContact CG2-CZ 3.91Å; L107-F151 HydrophobicContact CD1-CE1 4.26Å; F135-F151 HydrophobicContact CE1-CB 3.7Å; F135-F151 HydrophobicContact CE1-CD1 4.35Å; F135-F151 AromaticContact CE1-CD2 3.95Å; F135-F151 HydrophobicContact CE1-CD2 3.95Å; F135-F151 AromaticContact CE1-CG 3.76Å; F135-F151 HydrophobicContact CE1-CG 3.76Å; F135-F151 HydrophobicContact CZ-CB 4.08Å; F135-F151 AromaticContact CZ-CD1 3.93Å; F135-F151 HydrophobicContact CZ-CD1 3.93Å; F135-F151 AromaticContact CZ-CD2 3.56Å; F135-F151 HydrophobicContact CZ-CD2 3.56Å; F135-F151 HydrophobicContact CZ-CE1 4.21Å; F135-F151 AromaticContact CZ-CE2 3.86Å; F135-F151 HydrophobicContact CZ-CE2 3.86Å; F135-F151 AromaticContact CZ-CG 3.6Å; F135-F151 HydrophobicContact CZ-CG 3.6Å; F135-F151 HydrophobicContact CZ-CZ 4.16Å; L147-F151 HydrophobicContact CD2-CE2 4.36Å; L147-F151 HydrophobicContact CG-CD2 4.31Å; L147-F151 HydrophobicContact CG-CE2 4.04Å; L147-F151 WeakPolarHBondContact O-CD2 3.21Å; L147-F151 PolarHBondContact O-N 3.31Å; W148-F151 WeakPolarHBondContact O-CB 3.32Å; W148-F151 PolarHBondContact O-N 2.92Å; W148-F151 VanDerWaalsContact O-N 3.13Å; K149-F151 VanDerWaalsContact C-N 3.32Å; K149-F151 PolarHBondContact O-N 2.84Å; F151-D153 VanDerWaalsContact C-N 3.31Å; F151-D153 PolarHBondContact O-N 3.31Å; F151-C154 CarbonylContact O-C 3.26Å; F151-C154 WeakPolarHBondContact O-CA 3.25Å; F151-C154 WeakPolarHBondContact O-CB 3.39Å; F151-C154 PolarHBondContact O-N 2.99Å; F151-C154 VanDerWaalsContact O-N 3.07Å; F151-F155 HydrophobicContact CB-CE2 4.05Å; F151-F155 HydrophobicContact CB-CZ 4.15Å; F151-F155 HydrophobicContact CD1-CE1 4.27Å; F151-F155 HydrophobicContact CD1-CZ 4.03Å; F151-F155 HydrophobicContact CG-CZ 4.45Å; F151-F155 WeakPolarHBondContact O-CB 3.09Å; F151-F155 WeakPolarHBondContact O-CG 3.44Å; F151-F155 PolarHBondContact O-N 2.99Å
152T98.9Very high98.7Very high17 Ų1731.2 Ų31.210%0.10415%0.147CC..Hα-helixtrans-55.2-45.9174.2-56.70000111.8A127 W148 K149 C154 F155 N156A127-T152 HydrophobicContact CB-CG2 3.85Å; W148-T152 PolarHBondContact O-N 3.13Å; W148-T152 PolarHBondContact O-OG1 3.35Å; K149-T152 WeakPolarHBondContact O-CB 3.48Å; K149-T152 PolarHBondContact O-N 3.16Å; K149-T152 VanDerWaalsContact O-N 3.17Å; T152-C154 VanDerWaalsContact C-N 3.25Å; T152-C154 PolarHBondContact O-N 3.16Å; T152-F155 PolarHBondContact O-N 2.89Å; T152-N156 WeakPolarHBondContact O-CB 3.45Å; T152-N156 PolarHBondContact O-N 2.87Å; T152-N156 PolarHBondContact O-ND2 2.86Å
153D98.8Very high98.8Very high87 Ų8729.2 Ų29.247%0.46514%0.141SC..Hα-helixtrans-61.5-34.1177.6-67.3-29.1000112.5R42 K149 T150 F151R42-D153 WeakPolarHBondContact CD-O 3.45Å; R42-D153 PolarHBondContact NE-O 2.92Å; K149-D153 PolarHBondContact O-N 2.57Å; T150-D153 PolarHBondContact O-N 3.31Å; F151-D153 VanDerWaalsContact C-N 3.31Å; F151-D153 PolarHBondContact O-N 3.31Å
154C98.9Very high98.8Very high1 Ų127.1 Ų27.11%0.00713%0.131CC..Hα-helixtrans-72.1-47.5174.1-177.80000111.8C38 S41 R42 T150 F151 T152 N156 C157C38-C154 HydrophobicContact CB-CB 4.05Å; S41-C154 PolarHBondContact OG-SG 2.81Å; R42-C154 HydrophobicContact CB-CB 4.5Å; T150-C154 PolarHBondContact O-N 3.3Å; T150-C154 VanDerWaalsContact O-N 3.16Å; F151-C154 CarbonylContact O-C 3.26Å; F151-C154 WeakPolarHBondContact O-CA 3.25Å; F151-C154 WeakPolarHBondContact O-CB 3.39Å; F151-C154 PolarHBondContact O-N 2.99Å; F151-C154 VanDerWaalsContact O-N 3.07Å; T152-C154 VanDerWaalsContact C-N 3.25Å; T152-C154 PolarHBondContact O-N 3.16Å; C154-N156 VanDerWaalsContact C-N 3.29Å; C154-N156 PolarHBondContact O-N 2.59Å; C154-C157 WeakPolarHBondContact O-CB 3.35Å; C154-C157 PolarHBondContact O-N 2.73Å
155F98.9Very high98.8Very high2 Ų227.5 Ų27.51%0.00913%0.133CC..Hα-helixtrans-62.3-36.2-179.4-66.4-19.5000112.7V93 I103 R121 E125 F135 F151 T152 C157 L158V93-F155 HydrophobicContact CG1-CZ 4.07Å; V93-F155 HydrophobicContact CG2-CE2 4.43Å; I103-F155 HydrophobicContact CD1-CE1 3.93Å; I103-F155 HydrophobicContact CD1-CZ 4.48Å; I103-F155 HydrophobicContact CG1-CE1 3.76Å; I103-F155 HydrophobicContact CG1-CZ 4Å; R121-F155 PolarHBondContact NE-O 2.98Å; E125-F155 HydrophobicContact CB-CB 4Å; E125-F155 HydrophobicContact CB-CD1 4.3Å; E125-F155 HydrophobicContact CB-CD2 4.15Å; E125-F155 HydrophobicContact CB-CG 3.91Å; E125-F155 HydrophobicContact CG-CD1 3.92Å; E125-F155 HydrophobicContact CG-CD2 4.22Å; E125-F155 HydrophobicContact CG-CE1 4.11Å; E125-F155 HydrophobicContact CG-CE2 4.38Å; E125-F155 HydrophobicContact CG-CG 3.99Å; E125-F155 HydrophobicContact CG-CZ 4.34Å; E125-F155 WeakPolarHBondContact O-CB 3.48Å; F135-F155 HydrophobicContact CD1-CE2 4.16Å; F135-F155 AromaticContact CE1-CE2 3.68Å; F135-F155 HydrophobicContact CE1-CE2 3.68Å; F135-F155 AromaticContact CE1-CZ 3.92Å; F135-F155 HydrophobicContact CE1-CZ 3.92Å; F135-F155 HydrophobicContact CZ-CE2 4.46Å; F135-F155 HydrophobicContact CZ-CZ 4.26Å; F151-F155 HydrophobicContact CB-CE2 4.05Å; F151-F155 HydrophobicContact CB-CZ 4.15Å; F151-F155 HydrophobicContact CD1-CE1 4.27Å; F151-F155 HydrophobicContact CD1-CZ 4.03Å; F151-F155 HydrophobicContact CG-CZ 4.45Å; F151-F155 WeakPolarHBondContact O-CB 3.09Å; F151-F155 WeakPolarHBondContact O-CG 3.44Å; F151-F155 PolarHBondContact O-N 2.99Å; T152-F155 PolarHBondContact O-N 2.89Å; F155-C157 PolarHBondContact O-N 3.44Å; F155-L158 HydrophobicContact CB-CD1 4.38Å; F155-L158 HydrophobicContact CD1-CD1 3.99Å; F155-L158 PolarHBondContact O-N 3.39Å
156N98.9Very high98.8Very high20 Ų2031.6 Ų31.611%0.10715%0.151CC..THydrogen-bonded Turntrans-61-12.7174.1-73.2-12.3000113.6R121 T152 C154 P191 T192R121-N156 PolarHBondContact NH2-OD1 2.96Å; T152-N156 WeakPolarHBondContact O-CB 3.45Å; T152-N156 PolarHBondContact O-N 2.87Å; T152-N156 PolarHBondContact O-ND2 2.86Å; C154-N156 VanDerWaalsContact C-N 3.29Å; C154-N156 PolarHBondContact O-N 2.59Å; N156-P191 HydrophobicContact CB-CB 3.83Å; N156-P191 VanDerWaalsContact O-CA 3.26Å; N156-P191 WeakPolarHBondContact O-CA 3.29Å; N156-T192 WeakPolarHBondContact CA-O 3.42Å; N156-T192 WeakPolarHBondContact CB-O 3.5Å; N156-T192 VanDerWaalsContact CG-O 3.31Å; N156-T192 PolarHBondContact O-N 2.97Å; N156-T192 PolarHBondContact OD1-O 3.15Å; N156-T192 VanDerWaalsContact OD1-O 3.13Å
157C98.9Very high98.8Very high0 Ų027.2 Ų27.20%013%0.132CC..THydrogen-bonded Turntrans-104.8-2.4177.6-64.50000114.1R42 F45 L46 C154 F155 R190R42-C157 HydrophobicContact CG-CB 3.94Å; R42-C157 VanDerWaalsContact CG-SG 3.6Å; R42-C157 PolarHBondContact NE-SG 3.31Å; F45-C157 HydrophobicContact CB-CB 4.27Å; F45-C157 VanDerWaalsContact CB-O 3.23Å; F45-C157 WeakPolarHBondContact CB-O 3.27Å; L46-C157 HydrophobicContact CD2-CB 4.09Å; L46-C157 HydrophobicContact CG-CB 4.05Å; C154-C157 WeakPolarHBondContact O-CB 3.35Å; C154-C157 PolarHBondContact O-N 2.73Å; F155-C157 PolarHBondContact O-N 3.44Å; C157-R190 VanDerWaalsContact O-CD 3.3Å; C157-R190 WeakPolarHBondContact O-CD 3.33Å; C157-R190 PolarHBondContact O-NH1 3.34Å
158L98.9Very high98.9Very high3 Ų327.4 Ų27.42%0.01613%0.133CC..SBendtrans-61.8144.5178.5-76165000111.6F45 Y92 L119 R121 E125 F155 R190F45-L158 HydrophobicContact CD1-CD2 4.19Å; F45-L158 HydrophobicContact CD2-CD2 4.09Å; F45-L158 HydrophobicContact CE1-CD2 3.69Å; F45-L158 HydrophobicContact CE2-CD2 3.59Å; F45-L158 HydrophobicContact CE2-CG 4.35Å; F45-L158 HydrophobicContact CG-CD2 4.39Å; F45-L158 HydrophobicContact CZ-CD2 3.38Å; Y92-L158 HydrophobicContact CE2-CD1 4.27Å; L119-L158 HydrophobicContact CB-CD2 4.04Å; R121-L158 HydrophobicContact CB-CB 3.71Å; R121-L158 HydrophobicContact CB-CD1 4.32Å; R121-L158 HydrophobicContact CG-CB 4.01Å; R121-L158 HydrophobicContact CG-CD1 4.12Å; E125-L158 HydrophobicContact CB-CD1 3.95Å; E125-L158 HydrophobicContact CG-CD1 3.82Å; F155-L158 HydrophobicContact CB-CD1 4.38Å; F155-L158 HydrophobicContact CD1-CD1 3.99Å; F155-L158 PolarHBondContact O-N 3.39Å; L158-R190 WeakPolarHBondContact O-CD 3.37Å
159P98.9Very high98.9Very high3 Ų326 Ų262%0.01913%0.128CC..  trans-65.2154.6167.929.1-32.9000110.7I50 L52 L119 L120 R121I50-P159 CarbonylContact O-C 3.52Å; I50-P159 WeakPolarHBondContact O-CA 3.5Å; I50-P159 VanDerWaalsContact O-CB 3.28Å; I50-P159 WeakPolarHBondContact O-CB 3.42Å; L52-P159 HydrophobicContact CD1-CB 4.19Å; L52-P159 HydrophobicContact CD1-CG 3.85Å; L52-P159 HydrophobicContact CD2-CB 4.22Å; L52-P159 HydrophobicContact CD2-CG 4.35Å; L52-P159 HydrophobicContact CG-CB 3.93Å; L52-P159 HydrophobicContact CG-CG 4.12Å; L119-P159 VanDerWaalsContact O-CD 3.26Å; L119-P159 WeakPolarHBondContact O-CD 3.39Å; L119-P159 WeakPolarHBondContact O-CG 3.48Å; L120-P159 CarbonylContact C-O 3.48Å; L120-P159 WeakPolarHBondContact CA-O 3.39Å; L120-P159 HydrophobicContact CD2-CB 4.27Å; L120-P159 HydrophobicContact CD2-CG 4.1Å; R121-P159 PolarHBondContact N-O 3.3Å
160I98.9Very high98.9Very high1 Ų120.3 Ų20.31%0.00510%0.103CC..  trans-104.1-31.4-168.5-59-54.3000112I50 R121 L200 L203 L204I50-I160 HydrophobicContact CD1-CG1 3.62Å; I50-I160 HydrophobicContact CG1-CB 4.25Å; I50-I160 HydrophobicContact CG1-CG1 3.72Å; I50-I160 PolarHBondContact O-N 3.46Å; R121-I160 HydrophobicContact CB-CD1 3.7Å; R121-I160 HydrophobicContact CG-CD1 4.32Å; I160-L200 HydrophobicContact CB-CD1 4.4Å; I160-L200 HydrophobicContact CD1-CD1 3.5Å; I160-L200 VanDerWaalsContact CD1-CD1 3.5Å; I160-L200 HydrophobicContact CG1-CD1 3.68Å; I160-L200 HydrophobicContact CG2-CD1 3.8Å; I160-L203 HydrophobicContact CG2-CB 3.94Å; I160-L203 HydrophobicContact CG2-CD1 3.72Å; I160-L203 HydrophobicContact CG2-CG 4.44Å; I160-L204 HydrophobicContact CD1-CD1 4.41Å; I160-L204 HydrophobicContact CG2-CD1 3.8Å
161A98.9Very high98.9Very high0 Ų019.2 Ų19.20%010%0.096CC..EExtended strand (participates in β ladder)trans-146.8164.5-18000000110.6L51 L52 F169 C170 C171 I185L51-A161 WeakPolarHBondContact CA-O 3.49Å; L51-A161 HydrophobicContact CD1-CB 3.64Å; L52-A161 PolarHBondContact N-O 3.21Å; A161-F169 HydrophobicContact CB-CE2 3.87Å; A161-F169 HydrophobicContact CB-CZ 3.96Å; A161-C170 CarbonylContact C-O 3.59Å; A161-C170 WeakPolarHBondContact CA-O 3.22Å; A161-C170 VanDerWaalsContact CB-O 3.3Å; A161-C170 WeakPolarHBondContact CB-O 3.45Å; A161-C171 HydrophobicContact CB-CB 4.39Å; A161-I185 HydrophobicContact CB-CD1 4.31Å
162A98.9Very high98.9Very high0 Ų019.2 Ų19.20%010%0.096CC..EExtended strand (participates in β ladder)trans-134.6154.4169.400000110.3L52 L54 L87 L120 C170L52-A162 HydrophobicContact CB-CB 3.82Å; L52-A162 HydrophobicContact CD1-CB 4.48Å; L52-A162 CarbonylContact O-C 3.48Å; L52-A162 VanDerWaalsContact O-CA 3.22Å; L52-A162 WeakPolarHBondContact O-CA 3.18Å; L54-A162 HydrophobicContact CD1-CB 3.88Å; L54-A162 HydrophobicContact CG-CB 4.36Å; L87-A162 HydrophobicContact CD1-CB 4.27Å; L87-A162 HydrophobicContact CD2-CB 3.93Å; L120-A162 HydrophobicContact CD1-CB 4.48Å; L120-A162 HydrophobicContact CD2-CB 4.28Å; A162-C170 HydrophobicContact CB-CB 4.17Å; A162-C170 PolarHBondContact N-O 3.01Å; A162-C170 PolarHBondContact O-N 3.04Å
163I98.9Very high98.9Very high11 Ų1118.4 Ų18.46%0.0569%0.091CC..EExtended strand (participates in β ladder)trans-119.2126.1165.4-63.1171000106.9L51 L52 L54 I168 F169 M182 L240L51-I163 HydrophobicContact CD1-CD1 4.34Å; L51-I163 HydrophobicContact CD1-CG1 4.18Å; L51-I163 HydrophobicContact CD2-CD1 4.22Å; L52-I163 PolarHBondContact O-N 3.4Å; L54-I163 PolarHBondContact N-O 2.89Å; I163-I168 CarbonylContact C-O 3.58Å; I163-I168 VanDerWaalsContact CA-O 3.32Å; I163-I168 WeakPolarHBondContact CA-O 3.42Å; I163-F169 HydrophobicContact CG1-CD2 4.07Å; I163-M182 HydrophobicContact CD1-CE 4.27Å; I163-M182 HydrophobicContact CD1-CG 4.23Å; I163-M182 HydrophobicContact CD1-SD 4.25Å; I163-L240 HydrophobicContact CG2-CD2 4.22Å
164V98.9Very high98.9Very high0 Ų014.2 Ų14.20%07%0.069CC..EExtended strand (participates in β ladder)trans-99.6123.6175.5-177.30000109L54 A56 L58 I60 E166 K167 I168L54-V164 HydrophobicContact CB-CG2 4.39Å; L54-V164 CarbonylContact O-C 3.56Å; L54-V164 VanDerWaalsContact O-CA 3.32Å; L54-V164 WeakPolarHBondContact O-CA 3.32Å; A56-V164 HydrophobicContact CB-CG1 4.49Å; L58-V164 HydrophobicContact CD1-CG2 4.11Å; L58-V164 HydrophobicContact CD2-CB 4.43Å; L58-V164 HydrophobicContact CD2-CG1 3.47Å; L58-V164 VanDerWaalsContact CD2-CG1 3.47Å; L58-V164 HydrophobicContact CD2-CG2 4.09Å; I60-V164 HydrophobicContact CD1-CG2 4.35Å; V164-E166 PolarHBondContact O-N 2.87Å; V164-E166 VanDerWaalsContact O-N 3.08Å; V164-K167 PolarHBondContact O-N 3.24Å; V164-I168 HydrophobicContact CB-CB 4.11Å; V164-I168 PolarHBondContact N-O 3.38Å; V164-I168 PolarHBondContact O-N 3.21Å
165D98.6Very high98.9Very high54 Ų5414.3 Ų14.329%0.2897%0.069SC..THydrogen-bonded Turntrans4440.9179.5-65.3-59.5000113.2L54 E55 A56 K167 L288L54-D165 PolarHBondContact O-N 3.4Å; E55-D165 WeakPolarHBondContact CA-OD1 3.06Å; A56-D165 WeakPolarHBondContact CB-OD2 3.39Å; A56-D165 PolarHBondContact N-OD2 3.18Å; D165-K167 WeakPolarHBondContact O-CG 3.48Å; D165-K167 PolarHBondContact O-N 3.48Å; D165-L288 HydrophobicContact CB-CD1 4.1Å; D165-L288 HydrophobicContact CB-CD2 3.83Å; D165-L288 HydrophobicContact CB-CG 4.37Å; D165-L288 WeakPolarHBondContact OD2-CD2 3.25Å
166E98.5Very high98.9Very high152 Ų15214.4 Ų14.471%0.717%0.07SC*.THydrogen-bonded Turntrans58.511.5-179.1-53.2-17917100114.8V164 L240V164-E166 PolarHBondContact O-N 2.87Å; V164-E166 VanDerWaalsContact O-N 3.08Å; E166-L240 WeakPolarHBondContact O-CD2 3.29Å
167K98.8Very high98.8Very high47 Ų4715.2 Ų15.220%0.2048%0.076CC..THydrogen-bonded Turntrans-125.6-27.9-172.1-67.3-57.1174.4-172.30115.5V164 D165 D239 D241 L242 L288V164-K167 PolarHBondContact O-N 3.24Å; D165-K167 WeakPolarHBondContact O-CG 3.48Å; D165-K167 PolarHBondContact O-N 3.48Å; K167-D239 VanDerWaalsContact NZ-CG 3.33Å; K167-D239 PolarHBondContact NZ-O 3.2Å; K167-D239 IonicContact NZ-OD1 3.62Å; K167-D239 IonicContact NZ-OD2 2.84Å; K167-D239 PolarHBondContact NZ-OD2 3.36Å; K167-D241 HydrophobicContact CB-CB 4.45Å; K167-D241 WeakPolarHBondContact CD-OD2 3.38Å; K167-D241 PolarHBondContact O-N 3.33Å; K167-L242 PolarHBondContact O-N 2.86Å; K167-L288 HydrophobicContact CB-CD1 3.88Å; K167-L288 HydrophobicContact CG-CD1 3.88Å
168I98.9Very high98.8Very high5 Ų519 Ų193%0.02610%0.097CC..EExtended strand (participates in β ladder)trans-115109.4-178.9-46.7176.1000110.3I163 V164 L242 C244 V284 L288I163-I168 CarbonylContact C-O 3.58Å; I163-I168 VanDerWaalsContact CA-O 3.32Å; I163-I168 WeakPolarHBondContact CA-O 3.42Å; V164-I168 HydrophobicContact CB-CB 4.11Å; V164-I168 PolarHBondContact N-O 3.38Å; V164-I168 PolarHBondContact O-N 3.21Å; I168-L242 CarbonylContact C-O 3.55Å; I168-L242 WeakPolarHBondContact CA-O 3.22Å; I168-L242 HydrophobicContact CD1-CD2 4.37Å; I168-L242 HydrophobicContact CG1-CB 4.29Å; I168-L242 HydrophobicContact CG1-CD2 4.45Å; I168-L242 HydrophobicContact CG2-CB 4.11Å; I168-L242 HydrophobicContact CG2-CD2 3.97Å; I168-L242 HydrophobicContact CG2-CG 4.07Å; I168-C244 HydrophobicContact CG2-CB 3.86Å; I168-V284 HydrophobicContact CD1-CG1 3.98Å; I168-V284 HydrophobicContact CD1-CG2 4.03Å; I168-L288 HydrophobicContact CD1-CD2 4.37Å
169F98.9Very high98.8Very high0 Ų019.1 Ų19.10%010%0.098CC..EExtended strand (participates in β ladder)trans-82.7124.5172.8178.1-98.5000110.6A161 I163 C171 L175 L179 M182 I185 L203 F234 L240 L242 I243 C244A161-F169 HydrophobicContact CB-CE2 3.87Å; A161-F169 HydrophobicContact CB-CZ 3.96Å; I163-F169 HydrophobicContact CG1-CD2 4.07Å; F169-C171 HydrophobicContact CE1-CB 4.01Å; F169-C171 HydrophobicContact CZ-CB 4.31Å; F169-L175 HydrophobicContact CE1-CD2 4.36Å; F169-L179 HydrophobicContact CZ-CD2 4.32Å; F169-M182 HydrophobicContact CD2-CE 3.81Å; F169-M182 HydrophobicContact CD2-SD 4.18Å; F169-M182 HydrophobicContact CE2-CE 4.09Å; F169-M182 HydrophobicContact CE2-SD 3.94Å; F169-I185 HydrophobicContact CE2-CD1 3.87Å; F169-I185 HydrophobicContact CZ-CD1 4Å; F169-L203 HydrophobicContact CE1-CD2 4.41Å; F169-L203 HydrophobicContact CZ-CD2 3.95Å; F169-F234 HydrophobicContact CB-CE1 4.2Å; F169-F234 HydrophobicContact CD1-CE1 4.07Å; F169-F234 HydrophobicContact CD1-CZ 4.09Å; F169-F234 HydrophobicContact CD2-CZ 4.3Å; F169-F234 HydrophobicContact CE1-CZ 4.32Å; F169-F234 HydrophobicContact CG-CE1 4.08Å; F169-F234 HydrophobicContact CG-CZ 4.08Å; F169-L240 HydrophobicContact CB-CD1 3.72Å; F169-L242 PolarHBondContact N-O 2.98Å; F169-I243 HydrophobicContact CD1-CG2 4.42Å; F169-I243 CarbonylContact O-C 3.58Å; F169-I243 WeakPolarHBondContact O-CA 3.33Å; F169-C244 PolarHBondContact O-N 2.77Å
170C98.9Very high98.7Very high0 Ų023.7 Ų23.70%012%0.118CC..EExtended strand (participates in β ladder)trans-117.7129.6-176-57.50000110.9L87 L89 L120 A161 A162 C244L87-C170 HydrophobicContact CD2-CB 3.84Å; L89-C170 HydrophobicContact CD2-CB 3.91Å; L120-C170 HydrophobicContact CD1-CB 4.27Å; A161-C170 CarbonylContact C-O 3.59Å; A161-C170 WeakPolarHBondContact CA-O 3.22Å; A161-C170 VanDerWaalsContact CB-O 3.3Å; A161-C170 WeakPolarHBondContact CB-O 3.45Å; A162-C170 HydrophobicContact CB-CB 4.17Å; A162-C170 PolarHBondContact N-O 3.01Å; A162-C170 PolarHBondContact O-N 3.04Å; C170-C244 VanDerWaalsContact CA-O 3.26Å; C170-C244 WeakPolarHBondContact CA-O 3.47Å
171C98.9Very high98.7Very high0 Ų026 Ų260%014%0.135CC..EExtended strand (participates in β ladder)trans-151.4172.3171.263.50000109.5A161 F169 L203 C244 R245A161-C171 HydrophobicContact CB-CB 4.39Å; F169-C171 HydrophobicContact CE1-CB 4.01Å; F169-C171 HydrophobicContact CZ-CB 4.31Å; C171-L203 HydrophobicContact CB-CD2 4.49Å; C171-C244 PolarHBondContact N-O 2.77Å; C171-R245 VanDerWaalsContact O-CA 3.27Å; C171-R245 WeakPolarHBondContact O-CA 3.41Å
172H98.9Very high98.7Very high0 Ų026.8 Ų26.80%014%0.139CC..SBendtrans-75.3-60.6177.7-176.468.4000111.7D63 L89 D91 R121 G122 N123 L204 R245 A246 H247D63-H172 IonicContact OD1-CE1 3.83Å; D63-H172 PolarHBondContact OD1-CE1 3.11Å; D63-H172 IonicContact OD1-ND1 3.62Å; D63-H172 IonicContact OD2-CE1 3.81Å; L89-H172 WeakPolarHBondContact O-CA 3.22Å; L89-H172 WeakPolarHBondContact O-CB 3.45Å; L89-H172 VanDerWaalsContact O-CG 3.28Å; L89-H172 PolarHBondContact O-ND1 2.84Å; D91-H172 IonicContact OD1-CE1 3.92Å; D91-H172 IonicContact OD1-NE2 3.56Å; D91-H172 PolarHBondContact OD1-NE2 3.37Å; D91-H172 IonicContact OD2-CE1 3.99Å; D91-H172 PolarHBondContact OD2-CE1 3.32Å; D91-H172 IonicContact OD2-NE2 2.8Å; D91-H172 PolarHBondContact OD2-NE2 3.05Å; R121-H172 WeakPolarHBondContact O-CB 3.27Å; G122-H172 VanDerWaalsContact CA-CG 3.43Å; N123-H172 PolarHBondContact OD1-CD2 3.05Å; N123-H172 PolarHBondContact OD1-NE2 2.88Å; H172-L204 PolarHBondContact CD2-O 3.01Å; H172-R245 PolarHBondContact O-NE 3.38Å; H172-A246 PolarHBondContact O-N 2.88Å; H172-H247 AromaticContact CD2-CG 3.99Å; H172-H247 AromaticContact CD2-ND1 3.66Å; H172-H247 WeakPolarHBondContact NE2-CB 3.48Å; H172-H247 AromaticContact NE2-CG 3.56Å; H172-H247 AromaticContact NE2-ND1 3.07Å; H172-H247 PolarHBondContact NE2-ND1 3.36Å
173G98.9Very high98.6Very high0 Ų030.6 Ų30.60%016%0.157CC..SBendtrans-75.9-102.4-179.100000110.6L203 S206 R245G173-L203 VanDerWaalsContact CA-O 3.27Å; G173-L203 WeakPolarHBondContact CA-O 3.41Å; G173-L203 PolarHBondContact N-O 3.25Å; G173-S206 CarbonylContact C-O 3.17Å; G173-S206 VanDerWaalsContact C-O 3.29Å; G173-R245 VanDerWaalsContact CA-NH2 3.29Å; G173-R245 WeakPolarHBondContact O-CB 3.37Å; G173-R245 PolarHBondContact O-NE 3.3Å; G173-R245 PolarHBondContact O-NH2 2.98Å
174G98.7Very high98.6Very high0 Ų033.3 Ų33.30%017%0.169CC..  trans-169.5-145.7-176.600000112.1S206G174-S206 WeakPolarHBondContact CA-OG 3.3Å; G174-S206 PolarHBondContact N-OG 2.81Å; G174-S206 VanDerWaalsContact N-OG 3.11Å
175L98.9Very high98.6Very high2 Ų233.3 Ų33.31%0.0117%0.169CC..  trans-81.9159.2-177.2-59.7-178.7000111.6F169 S206 W215 F226 V230 V231 F234 I243F169-L175 HydrophobicContact CE1-CD2 4.36Å; L175-S206 PolarHBondContact N-OG 3.08Å; L175-S206 WeakPolarHBondContact O-CB 3.34Å; L175-S206 PolarHBondContact O-OG 3.46Å; L175-W215 VanDerWaalsContact C-CH2 3.49Å; L175-W215 HydrophobicContact CB-CH2 3.74Å; L175-W215 WeakPolarHBondContact O-CH2 3.38Å; L175-W215 WeakPolarHBondContact O-CZ3 3.39Å; L175-F226 HydrophobicContact CB-CD1 4.44Å; L175-F226 HydrophobicContact CB-CE1 4.45Å; L175-F226 HydrophobicContact CB-CG 4.49Å; L175-F226 HydrophobicContact CD1-CD2 4.29Å; L175-F226 HydrophobicContact CD1-CE2 4.27Å; L175-F226 HydrophobicContact CG-CE2 4.22Å; L175-F226 HydrophobicContact CG-CZ 4.38Å; L175-V230 HydrophobicContact CD1-CG1 3.92Å; L175-V231 HydrophobicContact CD1-CG2 4.46Å; L175-F234 HydrophobicContact CD1-CB 3.76Å; L175-F234 HydrophobicContact CD1-CD1 4.27Å; L175-F234 HydrophobicContact CD1-CD2 4.43Å; L175-F234 HydrophobicContact CD1-CG 3.91Å; L175-F234 HydrophobicContact CD2-CD1 3.75Å; L175-F234 HydrophobicContact CD2-CD2 3.85Å; L175-F234 HydrophobicContact CD2-CE1 3.74Å; L175-F234 HydrophobicContact CD2-CE2 3.86Å; L175-F234 HydrophobicContact CD2-CG 3.78Å; L175-F234 HydrophobicContact CD2-CZ 3.77Å; L175-I243 HydrophobicContact CD1-CD1 3.76Å; L175-I243 HydrophobicContact CD2-CD1 3.83Å; L175-I243 HydrophobicContact CG-CD1 3.97Å
176S98.8Very high98.6Very high5 Ų535.4 Ų35.44%0.03517%0.173CC..  trans-118.5142.8171.7178.60000111D178 L179 D202S176-D178 PolarHBondContact O-N 3.04Å; S176-D178 WeakPolarHBondContact OG-CB 3.28Å; S176-D178 PolarHBondContact OG-N 2.83Å; S176-L179 PolarHBondContact O-N 3.09Å; S176-L179 VanDerWaalsContact O-N 3.08Å; S176-D202 VanDerWaalsContact CB-CB 3.49Å; S176-D202 WeakPolarHBondContact CB-OD2 3.17Å; S176-D202 PolarHBondContact OG-OD2 2.7Å
177P98.4Very high98.6Very high36 Ų3637 Ų3723%0.23417%0.172CC..THydrogen-bonded Turntrans-61.5-23.416826.6-34.2000111.8L179 Q180 W215 F224P177-L179 VanDerWaalsContact C-N 3.35Å; P177-Q180 PolarHBondContact O-NE2 3.28Å; P177-W215 VanDerWaalsContact CA-CZ2 3.42Å; P177-W215 HydrophobicContact CB-CD2 4.03Å; P177-W215 HydrophobicContact CB-CG 4.43Å; P177-W215 HydrophobicContact CB-CZ2 3.97Å; P177-W215 HydrophobicContact CG-CD2 4.4Å; P177-W215 HydrophobicContact CG-CE3 4.48Å; P177-F224 HydrophobicContact CG-CD2 3.97Å; P177-F224 HydrophobicContact CG-CE2 3.81Å; P177-F224 HydrophobicContact CG-CZ 4.44Å
178D98.1Very high98.6Very high81 Ų8136.3 Ų36.343%0.43317%0.171SC..THydrogen-bonded Turntrans-82.4-12.7177.8-64.7-20.6000112.6S176 Q180 Q184 L199S176-D178 PolarHBondContact O-N 3.04Å; S176-D178 WeakPolarHBondContact OG-CB 3.28Å; S176-D178 PolarHBondContact OG-N 2.83Å; D178-Q180 PolarHBondContact O-N 3.11Å; D178-Q184 PolarHBondContact O-NE2 3.05Å; D178-Q184 PolarHBondContact O-OE1 3.01Å; D178-L199 HydrophobicContact CB-CB 4.29Å
179L98.6Very high98.6Very high5 Ų543.4 Ų43.43%0.02621%0.206CC..  trans-82.998.1-178.9-175.358.8000111.2F169 S176 P177 S181 I185 L199 L203 F234F169-L179 HydrophobicContact CZ-CD2 4.32Å; S176-L179 PolarHBondContact O-N 3.09Å; S176-L179 VanDerWaalsContact O-N 3.08Å; P177-L179 VanDerWaalsContact C-N 3.35Å; L179-S181 WeakPolarHBondContact CD1-O 3.47Å; L179-I185 HydrophobicContact CD1-CD1 3.93Å; L179-I185 HydrophobicContact CD1-CG1 3.79Å; L179-I185 HydrophobicContact CD2-CD1 4.17Å; L179-L199 HydrophobicContact CB-CD1 3.73Å; L179-L199 HydrophobicContact CD1-CD1 4.11Å; L179-L199 HydrophobicContact CG-CD1 4.38Å; L179-L203 HydrophobicContact CD2-CD2 4.26Å; L179-F234 HydrophobicContact CD2-CE2 3.62Å; L179-F234 HydrophobicContact CD2-CZ 4.13Å; L179-F234 HydrophobicContact CG-CE2 4.12Å
180Q97.6Very high98.6Very high98 Ų9845.4 Ų45.446%0.45821%0.213SC..SBendtrans-108.2-27.4176.6-53.9-57.2-43.400112.5P177 D178 H238P177-Q180 PolarHBondContact O-NE2 3.28Å; D178-Q180 PolarHBondContact O-N 3.11Å; Q180-H238 PolarHBondContact O-CE1 2.93Å
181S98.2Very high98.6Very high51 Ų5148.9 Ų48.936%0.35724%0.236SC..  trans-143.9142.4177.9174.90000111.2L179 E183 Q184L179-S181 WeakPolarHBondContact CD1-O 3.47Å; S181-E183 PolarHBondContact O-N 3.37Å; S181-E183 VanDerWaalsContact O-N 3.13Å; S181-E183 PolarHBondContact OG-N 3.41Å; S181-Q184 VanDerWaalsContact O-CB 3.31Å; S181-Q184 WeakPolarHBondContact O-CB 3.27Å; S181-Q184 PolarHBondContact O-N 2.95Å
182M98.6Very high98.6Very high16 Ų1651 Ų518%0.07925%0.249CC..Hα-helixtrans-59.1-24.1174.7-62.3-56.3177.500112.7L51 I163 F169 Q184 I185 R186 F234 H238 L240L51-M182 HydrophobicContact CD2-CB 3.8Å; L51-M182 HydrophobicContact CD2-CG 4.41Å; L51-M182 HydrophobicContact CD2-SD 4.46Å; I163-M182 HydrophobicContact CD1-CE 4.27Å; I163-M182 HydrophobicContact CD1-CG 4.23Å; I163-M182 HydrophobicContact CD1-SD 4.25Å; F169-M182 HydrophobicContact CD2-CE 3.81Å; F169-M182 HydrophobicContact CD2-SD 4.18Å; F169-M182 HydrophobicContact CE2-CE 4.09Å; F169-M182 HydrophobicContact CE2-SD 3.94Å; M182-Q184 PolarHBondContact O-N 2.93Å; M182-I185 WeakPolarHBondContact O-CB 3.24Å; M182-I185 PolarHBondContact O-N 2.84Å; M182-I185 HydrophobicContact SD-CD1 4.17Å; M182-R186 PolarHBondContact O-N 3.16Å; M182-R186 VanDerWaalsContact O-N 3.12Å; M182-F234 HydrophobicContact CE-CE1 4.37Å; M182-F234 HydrophobicContact CE-CE2 4.08Å; M182-F234 HydrophobicContact CE-CZ 3.52Å; M182-H238 HydrophobicContact CE-CB 4.22Å; M182-L240 HydrophobicContact CE-CD1 3.93Å
183E98.6Very high98.6Very high79 Ų7954.7 Ų54.737%0.36927%0.268SS..Hα-helixtrans-58.5-28.5172.1-73.1-56.9113.900113.1S181 I185 R186 R187S181-E183 PolarHBondContact O-N 3.37Å; S181-E183 VanDerWaalsContact O-N 3.13Å; S181-E183 PolarHBondContact OG-N 3.41Å; E183-I185 VanDerWaalsContact C-N 3.31Å; E183-I185 PolarHBondContact O-N 3.23Å; E183-R186 PolarHBondContact O-N 2.98Å; E183-R186 WeakPolarHBondContact OE1-CD 3.43Å; E183-R186 IonicContact OE1-CZ 3.65Å; E183-R186 IonicContact OE1-NE 3.85Å; E183-R186 IonicContact OE1-NH1 2.74Å; E183-R186 PolarHBondContact OE1-NH1 3.08Å; E183-R187 WeakPolarHBondContact O-CB 3.49Å; E183-R187 WeakPolarHBondContact O-CG 3.5Å; E183-R187 PolarHBondContact O-N 3.02Å
184Q98.8Very high98.5Very high68 Ų6855.1 Ų55.132%0.31827%0.271SS..Hα-helixtrans-66.3-36.7176.6-64.5173.8-9300111.2D178 S181 M182 L199D178-Q184 PolarHBondContact O-NE2 3.05Å; D178-Q184 PolarHBondContact O-OE1 3.01Å; S181-Q184 VanDerWaalsContact O-CB 3.31Å; S181-Q184 WeakPolarHBondContact O-CB 3.27Å; S181-Q184 PolarHBondContact O-N 2.95Å; M182-Q184 PolarHBondContact O-N 2.93Å; Q184-L199 HydrophobicContact CB-CD2 3.67Å
185I98.8Very high98.5Very high0 Ų057.8 Ų57.80%029%0.289CS..Hα-helixtrans-68.6-47.3173.5-52.9-179.7000109.4I50 L51 A161 F169 L179 M182 E183 R187 I188 L203I50-I185 WeakPolarHBondContact CG2-O 3.33Å; L51-I185 HydrophobicContact CB-CB 4.5Å; L51-I185 HydrophobicContact CB-CG2 4.01Å; A161-I185 HydrophobicContact CB-CD1 4.31Å; F169-I185 HydrophobicContact CE2-CD1 3.87Å; F169-I185 HydrophobicContact CZ-CD1 4Å; L179-I185 HydrophobicContact CD1-CD1 3.93Å; L179-I185 HydrophobicContact CD1-CG1 3.79Å; L179-I185 HydrophobicContact CD2-CD1 4.17Å; M182-I185 WeakPolarHBondContact O-CB 3.24Å; M182-I185 PolarHBondContact O-N 2.84Å; M182-I185 HydrophobicContact SD-CD1 4.17Å; E183-I185 VanDerWaalsContact C-N 3.31Å; E183-I185 PolarHBondContact O-N 3.23Å; I185-R187 PolarHBondContact O-N 2.92Å; I185-R187 VanDerWaalsContact O-N 3.15Å; I185-I188 WeakPolarHBondContact O-CB 3.27Å; I185-I188 PolarHBondContact O-N 3.37Å; I185-I188 VanDerWaalsContact O-N 3.09Å; I185-L203 HydrophobicContact CD1-CD1 4.09Å; I185-L203 HydrophobicContact CD1-CD2 4.33Å; I185-L203 HydrophobicContact CG1-CD1 4.04Å
186R98.7Very high98.3Very high98 Ų9864.2 Ų64.237%0.3732%0.323SS..Hα-helixtrans-59.2-28.3-178.7-64.6-171-173.298.84.8113.7L51 E53 M182 E183L51-R186 HydrophobicContact CB-CG 4.01Å; L51-R186 HydrophobicContact CD2-CG 3.96Å; E53-R186 IonicContact OE1-CZ 3.72Å; E53-R186 IonicContact OE1-NE 3.91Å; E53-R186 IonicContact OE1-NH2 2.71Å; E53-R186 PolarHBondContact OE1-NH2 2.98Å; M182-R186 PolarHBondContact O-N 3.16Å; M182-R186 VanDerWaalsContact O-N 3.12Å; E183-R186 PolarHBondContact O-N 2.98Å; E183-R186 WeakPolarHBondContact OE1-CD 3.43Å; E183-R186 IonicContact OE1-CZ 3.65Å; E183-R186 IonicContact OE1-NE 3.85Å; E183-R186 IonicContact OE1-NH1 2.74Å; E183-R186 PolarHBondContact OE1-NH1 3.08Å
187R98.6Very high98.3Very high185 Ų18569.3 Ų69.370%0.69835%0.354SS*.THydrogen-bonded Turntrans-84.4-7.6180-71.9172.8-172.7-167.61.7114.7E183 I185 M189E183-R187 WeakPolarHBondContact O-CB 3.49Å; E183-R187 WeakPolarHBondContact O-CG 3.5Å; E183-R187 PolarHBondContact O-N 3.02Å; I185-R187 PolarHBondContact O-N 2.92Å; I185-R187 VanDerWaalsContact O-N 3.15Å; R187-M189 PolarHBondContact O-N 3.45Å
188I98.7Very high98.2Very high33 Ų3368.5 Ų68.517%0.16935%0.352CS..  trans-66.4119.3174.5-64.3168.3000108.2I50 I185 T192 L199 L200I50-I188 HydrophobicContact CD1-CB 3.7Å; I50-I188 HydrophobicContact CD1-CG2 3.59Å; I185-I188 WeakPolarHBondContact O-CB 3.27Å; I185-I188 PolarHBondContact O-N 3.37Å; I185-I188 VanDerWaalsContact O-N 3.09Å; I188-T192 HydrophobicContact CG2-CG2 4.1Å; I188-L199 HydrophobicContact CD1-CD2 4.3Å; I188-L200 HydrophobicContact CD1-CB 4.4Å
189M98.6Very high98.3Very high155 Ų15565.7 Ų65.776%0.76434%0.337SS*.  trans-81.2139.2-179.4-64.9-61.2-6600110.8R187 T192R187-M189 PolarHBondContact O-N 3.45Å; M189-T192 WeakPolarHBondContact O-CB 3.22Å; M189-T192 WeakPolarHBondContact O-CG2 3.46Å
190R98.8Very high98.3Very high41 Ų4166 Ų6616%0.15534%0.338CS..SBendtrans-114.5148.3173.7-68.6176.2-65160.64.8110.5F45 L46 Q48 I50 C157 L158F45-R190 VanDerWaalsContact O-CZ 3.25Å; F45-R190 PolarHBondContact O-NH1 2.82Å; F45-R190 PolarHBondContact O-NH2 2.81Å; L46-R190 HydrophobicContact CD2-CB 3.78Å; Q48-R190 PolarHBondContact O-NH2 2.82Å; I50-R190 HydrophobicContact CD1-CG 3.74Å; I50-R190 HydrophobicContact CG1-CG 4.35Å; C157-R190 VanDerWaalsContact O-CD 3.3Å; C157-R190 WeakPolarHBondContact O-CD 3.33Å; C157-R190 PolarHBondContact O-NH1 3.34Å; L158-R190 WeakPolarHBondContact O-CD 3.37Å
191P98.8Very high98.3Very high74 Ų7461.3 Ų61.348%0.48132%0.316SS..SBendcis-70.1143.6-228.3-34.1000113.1N156N156-P191 HydrophobicContact CB-CB 3.83Å; N156-P191 VanDerWaalsContact O-CA 3.26Å; N156-P191 WeakPolarHBondContact O-CA 3.29Å
192T98.6Very high98.4Very high43 Ų4358.9 Ų58.926%0.26430%0.3SS..  trans-140.6147.6173.1-1750000110.8R121 N156 I188 M189 L200R121-T192 PolarHBondContact NH1-O 3.32Å; N156-T192 WeakPolarHBondContact CA-O 3.42Å; N156-T192 WeakPolarHBondContact CB-O 3.5Å; N156-T192 VanDerWaalsContact CG-O 3.31Å; N156-T192 PolarHBondContact O-N 2.97Å; N156-T192 PolarHBondContact OD1-O 3.15Å; N156-T192 VanDerWaalsContact OD1-O 3.13Å; I188-T192 HydrophobicContact CG2-CG2 4.1Å; M189-T192 WeakPolarHBondContact O-CB 3.22Å; M189-T192 WeakPolarHBondContact O-CG2 3.46Å; T192-L200 HydrophobicContact CG2-CD2 3.72Å
193D98.3Very high98.4Very high78 Ų7858.1 Ų58.142%0.41730%0.296SS..PPolyproline II helixtrans-78167.2164.7-154.30.2000110.3
194V98.3Very high98.4Very high10 Ų1054.4 Ų54.46%0.06128%0.278CS..PPolyproline II helixtrans-85.5118173.5-176.80000108.3C126 L204C126-V194 HydrophobicContact CB-CB 4.07Å; C126-V194 HydrophobicContact CB-CG2 3.69Å; V194-L204 HydrophobicContact CG1-CD2 4.17Å; V194-L204 HydrophobicContact CG2-CD2 3.64Å
195P97.6Very high98.4Very high56 Ų5652.8 Ų52.836%0.36427%0.269SS..PPolyproline II helixtrans-70.1161.8176.731.3-35.8000111.1T197 L200 C201P195-T197 WeakPolarHBondContact CG-O 3.04Å; P195-T197 PolarHBondContact O-N 3.01Å; P195-L200 HydrophobicContact CG-CB 4.16Å; P195-C201 HydrophobicContact CG-CB 4.44Å; P195-C201 WeakPolarHBondContact O-CB 3.39Å
196D95.1Very high98.4Very high137 Ų13752.8 Ų52.873%0.73327%0.269SS*.SBendtrans-71.4-20.4177.7-59.5-31.5000112.6C201D196-C201 PolarHBondContact O-SG 2.86Å
197T97.7Very high98.4Very high111 Ų11148.4 Ų48.468%0.68125%0.253SS*.SBendtrans-146.5168.2179.761.70000112.5P195P195-T197 WeakPolarHBondContact CG-O 3.04Å; P195-T197 PolarHBondContact O-N 3.01Å
198G98.1Very high98.4Very high19 Ų1940.3 Ų40.320%0.19623%0.225CC..SBendtrans89.1-178174.500000113.7L200 C201 D202G198-L200 PolarHBondContact O-N 3.48Å; G198-L200 VanDerWaalsContact O-N 3.09Å; G198-C201 WeakPolarHBondContact O-CA 3.38Å; G198-C201 VanDerWaalsContact O-CB 3.26Å; G198-C201 WeakPolarHBondContact O-CB 3.48Å; G198-C201 PolarHBondContact O-N 3.22Å; G198-D202 PolarHBondContact O-N 3.02Å
199L98.7Very high98.4Very high23 Ų2341.2 Ų41.212%0.1223%0.23CC..Hα-helixtrans-42.7-51.2-169.9179.260000115.7D178 L179 Q184 I188 D202 L203D178-L199 HydrophobicContact CB-CB 4.29Å; L179-L199 HydrophobicContact CB-CD1 3.73Å; L179-L199 HydrophobicContact CD1-CD1 4.11Å; L179-L199 HydrophobicContact CG-CD1 4.38Å; Q184-L199 HydrophobicContact CB-CD2 3.67Å; I188-L199 HydrophobicContact CD1-CD2 4.3Å; L199-D202 PolarHBondContact O-N 2.75Å; L199-L203 HydrophobicContact CD1-CD1 3.85Å; L199-L203 HydrophobicContact CD1-CG 4.1Å; L199-L203 HydrophobicContact CG-CD1 4Å; L199-L203 VanDerWaalsContact O-CG 3.29Å; L199-L203 WeakPolarHBondContact O-CG 3.41Å; L199-L203 PolarHBondContact O-N 2.86Å
200L98.8Very high98.3Very high10 Ų1041.8 Ų41.85%0.05223%0.228CC..Hα-helixtrans-68.4-36-178.6177.758.9000112.2I160 I188 T192 P195 G198 L204I160-L200 HydrophobicContact CB-CD1 4.4Å; I160-L200 HydrophobicContact CD1-CD1 3.5Å; I160-L200 VanDerWaalsContact CD1-CD1 3.5Å; I160-L200 HydrophobicContact CG1-CD1 3.68Å; I160-L200 HydrophobicContact CG2-CD1 3.8Å; I188-L200 HydrophobicContact CD1-CB 4.4Å; T192-L200 HydrophobicContact CG2-CD2 3.72Å; P195-L200 HydrophobicContact CG-CB 4.16Å; G198-L200 PolarHBondContact O-N 3.48Å; G198-L200 VanDerWaalsContact O-N 3.09Å; L200-L204 HydrophobicContact CD1-CD1 4.03Å; L200-L204 WeakPolarHBondContact O-CD1 3.45Å
201C98.8Very high98.2Very high0 Ų046.3 Ų46.30%026%0.255CS..Hα-helixtrans-61.7-50.4173.1-177.30000109.6P195 D196 G198 L203 L204 W205 V222P195-C201 HydrophobicContact CG-CB 4.44Å; P195-C201 WeakPolarHBondContact O-CB 3.39Å; D196-C201 PolarHBondContact O-SG 2.86Å; G198-C201 WeakPolarHBondContact O-CA 3.38Å; G198-C201 VanDerWaalsContact O-CB 3.26Å; G198-C201 WeakPolarHBondContact O-CB 3.48Å; G198-C201 PolarHBondContact O-N 3.22Å; C201-L203 PolarHBondContact O-N 3.08Å; C201-L204 CarbonylContact O-C 3.18Å; C201-L204 WeakPolarHBondContact O-CA 3.5Å; C201-L204 PolarHBondContact O-N 3.46Å; C201-W205 WeakPolarHBondContact O-CB 3.4Å; C201-W205 VanDerWaalsContact O-CD1 3.29Å; C201-W205 PolarHBondContact O-N 2.95Å; C201-V222 WeakPolarHBondContact SG-CG2 3.38Å
202D98.9Very high98.1Very high1 Ų144.2 Ų44.21%0.00524%0.241CC..Hα-helixtrans-65.2-37.9-173.7-58.8-28.4000113.9S176 G198 L199 L204 W205 S206 S223S176-D202 VanDerWaalsContact CB-CB 3.49Å; S176-D202 WeakPolarHBondContact CB-OD2 3.17Å; S176-D202 PolarHBondContact OG-OD2 2.7Å; G198-D202 PolarHBondContact O-N 3.02Å; L199-D202 PolarHBondContact O-N 2.75Å; D202-L204 PolarHBondContact O-N 3.2Å; D202-L204 VanDerWaalsContact O-N 3.16Å; D202-W205 PolarHBondContact O-N 3.47Å; D202-S206 WeakPolarHBondContact O-CB 3.26Å; D202-S206 PolarHBondContact O-N 3.1Å; D202-S206 PolarHBondContact O-OG 2.79Å; D202-S223 VanDerWaalsContact CA-OG 3.27Å; D202-S223 WeakPolarHBondContact CA-OG 3.41Å; D202-S223 WeakPolarHBondContact OD1-CB 3.43Å; D202-S223 PolarHBondContact OD1-OG 3.38Å
203L98.9Very high98.1Very high0 Ų050.4 Ų50.40%027%0.267CS..Hα-helixtrans-61.5-20.4174.4-73.7168.7000113I160 F169 C171 G173 L179 I185 L199 C201I160-L203 HydrophobicContact CG2-CB 3.94Å; I160-L203 HydrophobicContact CG2-CD1 3.72Å; I160-L203 HydrophobicContact CG2-CG 4.44Å; F169-L203 HydrophobicContact CE1-CD2 4.41Å; F169-L203 HydrophobicContact CZ-CD2 3.95Å; C171-L203 HydrophobicContact CB-CD2 4.49Å; G173-L203 VanDerWaalsContact CA-O 3.27Å; G173-L203 WeakPolarHBondContact CA-O 3.41Å; G173-L203 PolarHBondContact N-O 3.25Å; L179-L203 HydrophobicContact CD2-CD2 4.26Å; I185-L203 HydrophobicContact CD1-CD1 4.09Å; I185-L203 HydrophobicContact CD1-CD2 4.33Å; I185-L203 HydrophobicContact CG1-CD1 4.04Å; L199-L203 HydrophobicContact CD1-CD1 3.85Å; L199-L203 HydrophobicContact CD1-CG 4.1Å; L199-L203 HydrophobicContact CG-CD1 4Å; L199-L203 VanDerWaalsContact O-CG 3.29Å; L199-L203 WeakPolarHBondContact O-CG 3.41Å; L199-L203 PolarHBondContact O-N 2.86Å; C201-L203 PolarHBondContact O-N 3.08Å
204L98.8Very high98.1Very high0 Ų047.4 Ų47.40%026%0.255CS..Hα-helixtrans-107.5-16.6-179.7-86.262.7000113.1R121 N123 I160 H172 V194 L200 C201 D202R121-L204 HydrophobicContact CG-CD2 4.17Å; N123-L204 HydrophobicContact CB-CB 4.26Å; I160-L204 HydrophobicContact CD1-CD1 4.41Å; I160-L204 HydrophobicContact CG2-CD1 3.8Å; H172-L204 PolarHBondContact CD2-O 3.01Å; V194-L204 HydrophobicContact CG1-CD2 4.17Å; V194-L204 HydrophobicContact CG2-CD2 3.64Å; L200-L204 HydrophobicContact CD1-CD1 4.03Å; L200-L204 WeakPolarHBondContact O-CD1 3.45Å; C201-L204 CarbonylContact O-C 3.18Å; C201-L204 WeakPolarHBondContact O-CA 3.5Å; C201-L204 PolarHBondContact O-N 3.46Å; D202-L204 PolarHBondContact O-N 3.2Å; D202-L204 VanDerWaalsContact O-N 3.16Å
205W98.8Very high98.1Very high34 Ų3451.1 Ų51.113%0.12927%0.268CS..Hα-helixtrans-128.8-19.3-168.9-76.5101.6000116.2N123 I129 C201 D202 N218 V222 H247N123-W205 HydrophobicContact CB-CD2 3.88Å; N123-W205 VanDerWaalsContact CB-CE2 3.47Å; N123-W205 HydrophobicContact CB-CE3 4.42Å; N123-W205 HydrophobicContact CB-CG 4.34Å; N123-W205 HydrophobicContact CB-CH2 4.33Å; N123-W205 HydrophobicContact CB-CZ2 3.73Å; N123-W205 WeakPolarHBondContact ND2-CH2 3.17Å; N123-W205 WeakPolarHBondContact ND2-CZ2 3.33Å; N123-W205 WeakPolarHBondContact ND2-CZ3 3.27Å; I129-W205 HydrophobicContact CD1-CH2 3.73Å; I129-W205 HydrophobicContact CD1-CZ2 3.62Å; I129-W205 HydrophobicContact CG1-CH2 4.25Å; I129-W205 HydrophobicContact CG1-CZ2 3.78Å; C201-W205 WeakPolarHBondContact O-CB 3.4Å; C201-W205 VanDerWaalsContact O-CD1 3.29Å; C201-W205 PolarHBondContact O-N 2.95Å; D202-W205 PolarHBondContact O-N 3.47Å; W205-N218 PolarHBondContact O-ND2 3.07Å; W205-V222 HydrophobicContact CB-CG1 4.31Å; W205-V222 HydrophobicContact CB-CG2 4.4Å; W205-V222 HydrophobicContact CD2-CG1 3.58Å; W205-V222 HydrophobicContact CD2-CG2 4.23Å; W205-V222 HydrophobicContact CE3-CG1 3.29Å; W205-V222 HydrophobicContact CG-CG1 4.07Å; W205-V222 HydrophobicContact CG-CG2 4.09Å; W205-V222 HydrophobicContact CH2-CG1 4.29Å; W205-V222 HydrophobicContact CZ3-CG1 3.68Å; W205-H247 AromaticContact CE3-CE1 3.81Å; W205-H247 AromaticContact CE3-NE2 3.94Å
206S98.8Very high98.1Very high0 Ų049.4 Ų49.40%026%0.26CS..  trans-71.5152.8-176.261.50000112.3G173 G174 L175 D202 F224 R245G173-S206 CarbonylContact C-O 3.17Å; G173-S206 VanDerWaalsContact C-O 3.29Å; G174-S206 WeakPolarHBondContact CA-OG 3.3Å; G174-S206 PolarHBondContact N-OG 2.81Å; G174-S206 VanDerWaalsContact N-OG 3.11Å; L175-S206 PolarHBondContact N-OG 3.08Å; L175-S206 WeakPolarHBondContact O-CB 3.34Å; L175-S206 PolarHBondContact O-OG 3.46Å; D202-S206 WeakPolarHBondContact O-CB 3.26Å; D202-S206 PolarHBondContact O-N 3.1Å; D202-S206 PolarHBondContact O-OG 2.79Å; S206-F224 WeakPolarHBondContact CA-O 3.5Å; S206-F224 VanDerWaalsContact CB-O 3.29Å; S206-F224 WeakPolarHBondContact CB-O 3.3Å; S206-R245 PolarHBondContact O-NH2 3.42Å
207D98.8Very high98.2Very high6 Ų651.6 Ų51.63%0.03227%0.266CS..EExtended strand (participates in β ladder)trans-129.2143.9-177.7-73.7-53.5000112.5N218 R220 F224 T225 F226 R245 H247 Q248D207-N218 PolarHBondContact OD2-ND2 3.41Å; D207-R220 IonicContact OD1-NH2 2.74Å; D207-R220 IonicContact OD2-CZ 3.72Å; D207-R220 IonicContact OD2-NE 3.78Å; D207-R220 PolarHBondContact OD2-NE 3.03Å; D207-R220 IonicContact OD2-NH2 3.3Å; D207-F224 PolarHBondContact N-O 3.29Å; D207-F224 VanDerWaalsContact N-O 3.17Å; D207-T225 CarbonylContact O-C 3.55Å; D207-T225 WeakPolarHBondContact O-CA 3.48Å; D207-F226 VanDerWaalsContact O-CD1 3.28Å; D207-F226 WeakPolarHBondContact O-CD1 3.24Å; D207-F226 WeakPolarHBondContact O-CE1 3.17Å; D207-F226 PolarHBondContact O-N 2.67Å; D207-R245 IonicContact OD1-CZ 3.37Å; D207-R245 IonicContact OD1-NH1 3.49Å; D207-R245 PolarHBondContact OD1-NH1 3.16Å; D207-R245 IonicContact OD1-NH2 3.49Å; D207-R245 PolarHBondContact OD1-NH2 3.13Å; D207-H247 IonicContact OD1-CD2 3.93Å; D207-H247 PolarHBondContact OD1-CD2 3.17Å; D207-H247 VanDerWaalsContact OD1-CD2 3.31Å; D207-H247 IonicContact OD2-CD2 3.34Å; D207-Q248 VanDerWaalsContact OD1-CG 3.25Å; D207-Q248 WeakPolarHBondContact OD1-CG 3.37Å; D207-Q248 PolarHBondContact OD1-OE1 3.5Å
208P98.7Very high98.2Very high16 Ų1647 Ų4710%0.10424%0.238CC..EExtended strand (participates in β ladder)trans-70.2140.8168.430.4-33.9000110.8F226 F257 L262P208-F226 WeakPolarHBondContact CA-O 3.4Å; P208-F226 HydrophobicContact CB-CE2 3.95Å; P208-F226 HydrophobicContact CB-CZ 4.1Å; P208-F257 HydrophobicContact CB-CD1 3.73Å; P208-F257 HydrophobicContact CB-CD2 4.28Å; P208-F257 HydrophobicContact CB-CE1 3.78Å; P208-F257 HydrophobicContact CB-CE2 4.33Å; P208-F257 HydrophobicContact CB-CG 3.98Å; P208-F257 HydrophobicContact CB-CZ 4.09Å; P208-L262 HydrophobicContact CB-CD1 4.39Å; P208-L262 HydrophobicContact CB-CD2 4.46Å; P208-L262 HydrophobicContact CG-CD2 4.07Å
209D98.4Very high98.1Very high52 Ų5254.3 Ų54.328%0.27827%0.272SS..  trans-136.6129.7173.7-169.7-25000110.4D211 V212 T225 F226D209-D211 VanDerWaalsContact C-N 3.34Å; D209-D211 PolarHBondContact OD1-N 2.93Å; D209-V212 HydrophobicContact CB-CB 4.01Å; D209-V212 HydrophobicContact CB-CG2 3.71Å; D209-T225 HydrophobicContact CB-CG2 4.15Å; D209-F226 PolarHBondContact N-O 3.27Å
210K96.8Very high97.9Very high166 Ų16658.4 Ų58.472%0.72229%0.286SS*.SBendtrans-75.2-24.5-178.269.6-173.5179.7-1730113.1F257K210-F257 HydrophobicContact CB-CE2 4.01Å
211D97.1Very high97.8Very high136 Ų13661.5 Ų61.573%0.72732%0.32SS*.SBendtrans-93.8-3.2-175.8-62-46.7000111.2D209D209-D211 VanDerWaalsContact C-N 3.34Å; D209-D211 PolarHBondContact OD1-N 2.93Å
212V96.9Very high97.7Very high30 Ų3062.9 Ų62.918%0.18233%0.329CS..  trans-97.7137176.8173.30000111.4D209 G227D209-V212 HydrophobicContact CB-CB 4.01Å; D209-V212 HydrophobicContact CB-CG2 3.71Å; V212-G227 WeakPolarHBondContact O-CA 3.21Å
213Q97.6Very high97.7Very high173 Ų17363.9 Ų63.981%0.80834%0.336SS*.SBendtrans-109.9123.9166.3-175.7175.91100109.2
214G98.4Very high97.7Very high16 Ų1667.7 Ų67.717%0.16535%0.352CS..SBendtrans74.9-126.1-170.800000111.8F226 G227 D229 V230G214-F226 WeakPolarHBondContact O-CA 3.43Å; G214-G227 PolarHBondContact O-N 3.43Å; G214-D229 PolarHBondContact N-OD1 3.17Å; G214-V230 WeakPolarHBondContact O-CG2 3.36Å
215W98.7Very high97.7Very high88 Ų8868.2 Ų68.233%0.33336%0.356SS..EExtended strand (participates in β ladder)trans-113.1140-179-6295.1000110.5L175 P177 F224 T225 F226 V230L175-W215 VanDerWaalsContact C-CH2 3.49Å; L175-W215 HydrophobicContact CB-CH2 3.74Å; L175-W215 WeakPolarHBondContact O-CH2 3.38Å; L175-W215 WeakPolarHBondContact O-CZ3 3.39Å; P177-W215 VanDerWaalsContact CA-CZ2 3.42Å; P177-W215 HydrophobicContact CB-CD2 4.03Å; P177-W215 HydrophobicContact CB-CG 4.43Å; P177-W215 HydrophobicContact CB-CZ2 3.97Å; P177-W215 HydrophobicContact CG-CD2 4.4Å; P177-W215 HydrophobicContact CG-CE3 4.48Å; W215-F224 HydrophobicContact CE3-CB 3.75Å; W215-F224 HydrophobicContact CE3-CG 4.31Å; W215-F224 HydrophobicContact CZ3-CB 4.28Å; W215-T225 WeakPolarHBondContact CA-O 3.43Å; W215-F226 HydrophobicContact CD2-CB 4.38Å; W215-F226 HydrophobicContact CE3-CB 3.76Å; W215-F226 HydrophobicContact CH2-CB 4.13Å; W215-F226 HydrophobicContact CZ3-CB 3.63Å; W215-F226 HydrophobicContact CZ3-CD1 4.07Å; W215-F226 HydrophobicContact CZ3-CG 4.17Å; W215-V230 HydrophobicContact CH2-CG1 4.03Å; W215-V230 HydrophobicContact CZ2-CG1 3.55Å
216G98.2Very high97.7Very high19 Ų1966.6 Ų66.620%0.19635%0.35CS..EExtended strand (participates in β ladder)trans-129.617317900000112.7F224 T225G216-F224 WeakPolarHBondContact O-CA 3.42Å; G216-T225 VanDerWaalsContact CA-OG1 3.27Å; G216-T225 WeakPolarHBondContact CA-OG1 3.46Å; G216-T225 PolarHBondContact N-O 3.22Å; G216-T225 PolarHBondContact O-N 3.21Å; G216-T225 PolarHBondContact O-OG1 2.99Å
217E96.8Very high97.7Very high183 Ų18366.6 Ų66.686%0.85535%0.35SS*.EExtended strand (participates in β ladder)trans-68.2149.2170.3-64.9-174.6169.400110.2T225E217-T225 WeakPolarHBondContact O-CG2 3.49Å; E217-T225 PolarHBondContact O-OG1 2.98Å
218N97.6Very high97.7Very high16 Ų1668.2 Ų68.29%0.08636%0.363CS..  trans-108.3126.2176.1-167.9-38.3000110W205 D207 R220 G221 V222 F224 T225W205-N218 PolarHBondContact O-ND2 3.07Å; D207-N218 PolarHBondContact OD2-ND2 3.41Å; N218-R220 PolarHBondContact O-N 2.92Å; N218-R220 WeakPolarHBondContact OD1-CB 3.45Å; N218-R220 VanDerWaalsContact OD1-CG 3.25Å; N218-R220 WeakPolarHBondContact OD1-CG 3.46Å; N218-R220 PolarHBondContact OD1-N 2.91Å; N218-G221 PolarHBondContact O-N 2.82Å; N218-V222 WeakPolarHBondContact CB-O 3.47Å; N218-F224 PolarHBondContact ND2-O 3.17Å; N218-T225 HydrophobicContact CB-CG2 4.21Å
219D95.8Very high97.7Very high172 Ų17269.4 Ų69.492%0.9237%0.369SS*.THydrogen-bonded Turntrans-60-16.8180-73.3-16.9000113.5G221D219-G221 PolarHBondContact O-N 3.05Å
220R95Very high97.7Very high108 Ų10867.7 Ų67.741%0.40836%0.36SS..THydrogen-bonded Turntrans-68-13.2171.6-62.6177.1-172.2-94.914.8113.1D207 N218 V222 H247D207-R220 IonicContact OD1-NH2 2.74Å; D207-R220 IonicContact OD2-CZ 3.72Å; D207-R220 IonicContact OD2-NE 3.78Å; D207-R220 PolarHBondContact OD2-NE 3.03Å; D207-R220 IonicContact OD2-NH2 3.3Å; N218-R220 PolarHBondContact O-N 2.92Å; N218-R220 WeakPolarHBondContact OD1-CB 3.45Å; N218-R220 VanDerWaalsContact OD1-CG 3.25Å; N218-R220 WeakPolarHBondContact OD1-CG 3.46Å; N218-R220 PolarHBondContact OD1-N 2.91Å; R220-V222 HydrophobicContact CB-CG1 3.93Å; R220-V222 PolarHBondContact O-N 3.29Å; R220-H247 PolarHBondContact NE-NE2 2.95Å; R220-H247 PolarHBondContact NH2-CD2 3.19Å; R220-H247 VanDerWaalsContact NH2-CD2 3.32Å; R220-H247 PolarHBondContact NH2-NE2 2.92Å; R220-H247 PolarHBondContact NH2-O 2.73Å
221G96.5Very high97.8Very high75 Ų7559.8 Ų59.877%0.77333%0.326SS*.SBendtrans7315.1-175.700000113.7N218 D219N218-G221 PolarHBondContact O-N 2.82Å; D219-G221 PolarHBondContact O-N 3.05Å
222V97.1Very high97.9Very high30 Ų3055 Ų5518%0.18230%0.304CS..SBendtrans-144.8143.1179.859.80000109.5C201 W205 N218 R220C201-V222 WeakPolarHBondContact SG-CG2 3.38Å; W205-V222 HydrophobicContact CB-CG1 4.31Å; W205-V222 HydrophobicContact CB-CG2 4.4Å; W205-V222 HydrophobicContact CD2-CG1 3.58Å; W205-V222 HydrophobicContact CD2-CG2 4.23Å; W205-V222 HydrophobicContact CE3-CG1 3.29Å; W205-V222 HydrophobicContact CG-CG1 4.07Å; W205-V222 HydrophobicContact CG-CG2 4.09Å; W205-V222 HydrophobicContact CH2-CG1 4.29Å; W205-V222 HydrophobicContact CZ3-CG1 3.68Å; N218-V222 WeakPolarHBondContact CB-O 3.47Å; R220-V222 HydrophobicContact CB-CG1 3.93Å; R220-V222 PolarHBondContact O-N 3.29Å
223S98.2Very high98Very high21 Ų2159.5 Ų59.515%0.14732%0.321CS..SBendtrans55.4-151.2-176.1-167.40000113.2D202D202-S223 VanDerWaalsContact CA-OG 3.27Å; D202-S223 WeakPolarHBondContact CA-OG 3.41Å; D202-S223 WeakPolarHBondContact OD1-CB 3.43Å; D202-S223 PolarHBondContact OD1-OG 3.38Å
224F98.6Very high98Very high81 Ų8151.8 Ų51.836%0.35528%0.284SS..EExtended strand (participates in β ladder)trans-131.9160.6-168.8-58.7-81.3000111.8P177 S206 D207 W215 G216 N218P177-F224 HydrophobicContact CG-CD2 3.97Å; P177-F224 HydrophobicContact CG-CE2 3.81Å; P177-F224 HydrophobicContact CG-CZ 4.44Å; S206-F224 WeakPolarHBondContact CA-O 3.5Å; S206-F224 VanDerWaalsContact CB-O 3.29Å; S206-F224 WeakPolarHBondContact CB-O 3.3Å; D207-F224 PolarHBondContact N-O 3.29Å; D207-F224 VanDerWaalsContact N-O 3.17Å; W215-F224 HydrophobicContact CE3-CB 3.75Å; W215-F224 HydrophobicContact CE3-CG 4.31Å; W215-F224 HydrophobicContact CZ3-CB 4.28Å; G216-F224 WeakPolarHBondContact O-CA 3.42Å; N218-F224 PolarHBondContact ND2-O 3.17Å
225T98.8Very high98.1Very high11 Ų1151.1 Ų51.17%0.06728%0.277CS..EExtended strand (participates in β ladder)trans-94.7153.7158.148.30000110.1D207 D209 W215 G216 E217 N218D207-T225 CarbonylContact O-C 3.55Å; D207-T225 WeakPolarHBondContact O-CA 3.48Å; D209-T225 HydrophobicContact CB-CG2 4.15Å; W215-T225 WeakPolarHBondContact CA-O 3.43Å; G216-T225 VanDerWaalsContact CA-OG1 3.27Å; G216-T225 WeakPolarHBondContact CA-OG1 3.46Å; G216-T225 PolarHBondContact N-O 3.22Å; G216-T225 PolarHBondContact O-N 3.21Å; G216-T225 PolarHBondContact O-OG1 2.99Å; E217-T225 WeakPolarHBondContact O-CG2 3.49Å; E217-T225 PolarHBondContact O-OG1 2.98Å; N218-T225 HydrophobicContact CB-CG2 4.21Å
226F98.9Very high98.1Very high0 Ų053.1 Ų53.10%029%0.294CS..EExtended strand (participates in β ladder)trans-137.1139.7177.558.7-89.6000113.7L175 D207 P208 D209 G214 W215 V230 V231 L262L175-F226 HydrophobicContact CB-CD1 4.44Å; L175-F226 HydrophobicContact CB-CE1 4.45Å; L175-F226 HydrophobicContact CB-CG 4.49Å; L175-F226 HydrophobicContact CD1-CD2 4.29Å; L175-F226 HydrophobicContact CD1-CE2 4.27Å; L175-F226 HydrophobicContact CG-CE2 4.22Å; L175-F226 HydrophobicContact CG-CZ 4.38Å; D207-F226 VanDerWaalsContact O-CD1 3.28Å; D207-F226 WeakPolarHBondContact O-CD1 3.24Å; D207-F226 WeakPolarHBondContact O-CE1 3.17Å; D207-F226 PolarHBondContact O-N 2.67Å; P208-F226 WeakPolarHBondContact CA-O 3.4Å; P208-F226 HydrophobicContact CB-CE2 3.95Å; P208-F226 HydrophobicContact CB-CZ 4.1Å; D209-F226 PolarHBondContact N-O 3.27Å; G214-F226 WeakPolarHBondContact O-CA 3.43Å; W215-F226 HydrophobicContact CD2-CB 4.38Å; W215-F226 HydrophobicContact CE3-CB 3.76Å; W215-F226 HydrophobicContact CH2-CB 4.13Å; W215-F226 HydrophobicContact CZ3-CB 3.63Å; W215-F226 HydrophobicContact CZ3-CD1 4.07Å; W215-F226 HydrophobicContact CZ3-CG 4.17Å; F226-V230 HydrophobicContact CB-CB 4.19Å; F226-V230 HydrophobicContact CB-CG1 4.2Å; F226-V230 HydrophobicContact CB-CG2 4.36Å; F226-V231 HydrophobicContact CD2-CG2 3.9Å; F226-V231 HydrophobicContact CE2-CG2 3.72Å; F226-L262 HydrophobicContact CE2-CD1 3.79Å; F226-L262 HydrophobicContact CZ-CD1 4.02Å
227G98.8Very high98.1Very high0 Ų058.8 Ų58.80%031%0.309CS..  trans-80.3168.1-177.200000114.7V212 G214 D229 V230 V231V212-G227 WeakPolarHBondContact O-CA 3.21Å; G214-G227 PolarHBondContact O-N 3.43Å; G227-D229 PolarHBondContact O-N 3.48Å; G227-V230 WeakPolarHBondContact O-CB 3.48Å; G227-V230 PolarHBondContact O-N 3.03Å; G227-V231 PolarHBondContact O-N 2.89Å
228A98.8Very high98.2Very high39 Ų3952.2 Ų52.232%0.32228%0.279SS..Hα-helixtrans-60-29.1175.800000112.9V230 V231 S232 F257 A258A228-V230 VanDerWaalsContact C-N 3.34Å; A228-V231 PolarHBondContact O-N 3.39Å; A228-S232 PolarHBondContact O-N 2.92Å; A228-S232 PolarHBondContact O-OG 3.14Å; A228-F257 HydrophobicContact CB-CE1 4.06Å; A228-F257 HydrophobicContact CB-CZ 3.95Å; A228-A258 HydrophobicContact CB-CB 3.71Å
229D98.7Very high98.2Very high42 Ų4256.9 Ų56.923%0.22530%0.304CS..Hα-helixtrans-69.5-31.4176.874.5-66.9000112.6G214 G227 K233G214-D229 PolarHBondContact N-OD1 3.17Å; G227-D229 PolarHBondContact O-N 3.48Å; D229-K233 WeakPolarHBondContact O-CB 3.17Å; D229-K233 WeakPolarHBondContact O-CD 3.3Å; D229-K233 WeakPolarHBondContact O-CG 3.33Å; D229-K233 PolarHBondContact O-N 3.47Å; D229-K233 IonicContact OD2-NZ 2.77Å; D229-K233 PolarHBondContact OD2-NZ 3.04Å
230V98.9Very high98.3Very high15 Ų1549.3 Ų49.39%0.09126%0.263CS..Hα-helixtrans-67.3-45.4173.6-179.60000110.1L175 G214 W215 F226 G227 A228 S232 K233 F234L175-V230 HydrophobicContact CD1-CG1 3.92Å; G214-V230 WeakPolarHBondContact O-CG2 3.36Å; W215-V230 HydrophobicContact CH2-CG1 4.03Å; W215-V230 HydrophobicContact CZ2-CG1 3.55Å; F226-V230 HydrophobicContact CB-CB 4.19Å; F226-V230 HydrophobicContact CB-CG1 4.2Å; F226-V230 HydrophobicContact CB-CG2 4.36Å; G227-V230 WeakPolarHBondContact O-CB 3.48Å; G227-V230 PolarHBondContact O-N 3.03Å; A228-V230 VanDerWaalsContact C-N 3.34Å; V230-S232 PolarHBondContact O-N 3.4Å; V230-K233 PolarHBondContact O-N 3.18Å; V230-F234 WeakPolarHBondContact O-CB 3.16Å; V230-F234 PolarHBondContact O-N 3.25Å
231V98.9Very high98.5Very high0 Ų048.9 Ų48.90%027%0.269CS..Hα-helixtrans-55.7-53.6174.7170.60000110.8L175 F226 G227 A228 K233 F234 L235 I243 F257 A258 Q261 L262L175-V231 HydrophobicContact CD1-CG2 4.46Å; F226-V231 HydrophobicContact CD2-CG2 3.9Å; F226-V231 HydrophobicContact CE2-CG2 3.72Å; G227-V231 PolarHBondContact O-N 2.89Å; A228-V231 PolarHBondContact O-N 3.39Å; V231-K233 VanDerWaalsContact C-N 3.34Å; V231-K233 PolarHBondContact O-N 2.96Å; V231-F234 PolarHBondContact O-N 3.4Å; V231-L235 HydrophobicContact CG1-CD1 3.97Å; V231-L235 HydrophobicContact CG1-CG 4.48Å; V231-L235 WeakPolarHBondContact O-CG 3.39Å; V231-L235 PolarHBondContact O-N 3.21Å; V231-I243 HydrophobicContact CB-CD1 4.47Å; V231-I243 HydrophobicContact CG1-CD1 4.03Å; V231-I243 HydrophobicContact CG2-CD1 4.25Å; V231-F257 HydrophobicContact CG2-CD1 4.12Å; V231-F257 HydrophobicContact CG2-CE1 3.91Å; V231-A258 HydrophobicContact CB-CB 4.08Å; V231-A258 HydrophobicContact CG1-CB 3.9Å; V231-A258 HydrophobicContact CG2-CB 4.48Å; V231-Q261 HydrophobicContact CG1-CB 3.69Å; V231-L262 HydrophobicContact CG1-CB 4.27Å; V231-L262 HydrophobicContact CG2-CB 4.48Å; V231-L262 HydrophobicContact CG2-CD1 4.05Å
232S98.8Very high98.6Very high37 Ų3746 Ų4626%0.25924%0.236SC..Hα-helixtrans-59-43.2179.8-63.90000112.5A228 V230 N236 Q261A228-S232 PolarHBondContact O-N 2.92Å; A228-S232 PolarHBondContact O-OG 3.14Å; V230-S232 PolarHBondContact O-N 3.4Å; S232-N236 WeakPolarHBondContact O-CB 3.4Å; S232-N236 PolarHBondContact O-N 3.3Å; S232-N236 VanDerWaalsContact O-N 3.12Å; S232-N236 PolarHBondContact O-ND2 2.81Å; S232-N236 VanDerWaalsContact O-ND2 3.08Å; S232-Q261 PolarHBondContact OG-OE1 3.24Å
233K98.7Very high98.7Very high124 Ų12444.6 Ų44.654%0.53923%0.227SC..Hα-helixtrans-65.6-40.9178.8-74.9165.4-173.9160.20112.1D229 V230 V231 R237D229-K233 WeakPolarHBondContact O-CB 3.17Å; D229-K233 WeakPolarHBondContact O-CD 3.3Å; D229-K233 WeakPolarHBondContact O-CG 3.33Å; D229-K233 PolarHBondContact O-N 3.47Å; D229-K233 IonicContact OD2-NZ 2.77Å; D229-K233 PolarHBondContact OD2-NZ 3.04Å; V230-K233 PolarHBondContact O-N 3.18Å; V231-K233 VanDerWaalsContact C-N 3.34Å; V231-K233 PolarHBondContact O-N 2.96Å; K233-R237 VanDerWaalsContact O-CB 3.26Å; K233-R237 WeakPolarHBondContact O-CB 3.25Å; K233-R237 PolarHBondContact O-N 3.32Å
234F98.9Very high98.8Very high11 Ų1143.6 Ų43.65%0.04822%0.22CC..Hα-helixtrans-63.5-51.8178.9174.7-95.7000111.3F169 L175 L179 M182 V230 V231 N236 R237 H238 L240 I243F169-F234 HydrophobicContact CB-CE1 4.2Å; F169-F234 HydrophobicContact CD1-CE1 4.07Å; F169-F234 HydrophobicContact CD1-CZ 4.09Å; F169-F234 HydrophobicContact CD2-CZ 4.3Å; F169-F234 HydrophobicContact CE1-CZ 4.32Å; F169-F234 HydrophobicContact CG-CE1 4.08Å; F169-F234 HydrophobicContact CG-CZ 4.08Å; L175-F234 HydrophobicContact CD1-CB 3.76Å; L175-F234 HydrophobicContact CD1-CD1 4.27Å; L175-F234 HydrophobicContact CD1-CD2 4.43Å; L175-F234 HydrophobicContact CD1-CG 3.91Å; L175-F234 HydrophobicContact CD2-CD1 3.75Å; L175-F234 HydrophobicContact CD2-CD2 3.85Å; L175-F234 HydrophobicContact CD2-CE1 3.74Å; L175-F234 HydrophobicContact CD2-CE2 3.86Å; L175-F234 HydrophobicContact CD2-CG 3.78Å; L175-F234 HydrophobicContact CD2-CZ 3.77Å; L179-F234 HydrophobicContact CD2-CE2 3.62Å; L179-F234 HydrophobicContact CD2-CZ 4.13Å; L179-F234 HydrophobicContact CG-CE2 4.12Å; M182-F234 HydrophobicContact CE-CE1 4.37Å; M182-F234 HydrophobicContact CE-CE2 4.08Å; M182-F234 HydrophobicContact CE-CZ 3.52Å; V230-F234 WeakPolarHBondContact O-CB 3.16Å; V230-F234 PolarHBondContact O-N 3.25Å; V231-F234 PolarHBondContact O-N 3.4Å; F234-N236 PolarHBondContact O-N 3.25Å; F234-R237 PolarHBondContact O-N 3.07Å; F234-H238 AromaticContact CD2-CD2 3.51Å; F234-H238 AromaticContact CD2-NE2 3.88Å; F234-H238 AromaticContact CE2-CD2 3.43Å; F234-H238 VanDerWaalsContact CE2-CD2 3.43Å; F234-H238 WeakPolarHBondContact CE2-CD2 3.32Å; F234-H238 AromaticContact CE2-NE2 3.75Å; F234-H238 AromaticContact CZ-CD2 3.96Å; F234-H238 PolarHBondContact O-CD2 3.44Å; F234-H238 VanDerWaalsContact O-CD2 3.26Å; F234-H238 PolarHBondContact O-N 3.16Å; F234-H238 VanDerWaalsContact O-N 3.14Å; F234-L240 HydrophobicContact CD1-CD1 4.36Å; F234-L240 HydrophobicContact CE1-CD1 3.61Å; F234-L240 HydrophobicContact CZ-CD1 4.16Å; F234-I243 HydrophobicContact CD1-CD1 3.89Å; F234-I243 HydrophobicContact CD1-CG1 4.22Å; F234-I243 HydrophobicContact CE1-CD1 4.3Å; F234-I243 HydrophobicContact CE1-CG1 4.24Å
235L98.8Very high98.8Very high1 Ų139.8 Ų39.81%0.00520%0.203CC..Hα-helixtrans-58.2-49.1179.6-71.5178.5000111.7V231 R237 H238 D239 L240 I243 Q261V231-L235 HydrophobicContact CG1-CD1 3.97Å; V231-L235 HydrophobicContact CG1-CG 4.48Å; V231-L235 WeakPolarHBondContact O-CG 3.39Å; V231-L235 PolarHBondContact O-N 3.21Å; L235-R237 VanDerWaalsContact C-N 3.3Å; L235-R237 PolarHBondContact O-N 3.19Å; L235-H238 PolarHBondContact O-N 2.86Å; L235-D239 PolarHBondContact O-N 3Å; L235-L240 WeakPolarHBondContact CB-O 3.22Å; L235-L240 HydrophobicContact CD2-CB 3.43Å; L235-L240 VanDerWaalsContact CD2-CB 3.43Å; L235-L240 HydrophobicContact CD2-CD1 4.39Å; L235-L240 PolarHBondContact O-N 3.38Å; L235-I243 HydrophobicContact CD2-CG1 3.94Å; L235-I243 HydrophobicContact CG-CG1 4.49Å; L235-Q261 HydrophobicContact CD1-CB 3.53Å; L235-Q261 HydrophobicContact CD1-CG 3.93Å
236N98.6Very high98.8Very high130 Ų13039.2 Ų39.270%0.69520%0.2SC*.Hα-helixtrans-61.4-36.8178.1-72-25.3000113S232 F234 H238S232-N236 WeakPolarHBondContact O-CB 3.4Å; S232-N236 PolarHBondContact O-N 3.3Å; S232-N236 VanDerWaalsContact O-N 3.12Å; S232-N236 PolarHBondContact O-ND2 2.81Å; S232-N236 VanDerWaalsContact O-ND2 3.08Å; F234-N236 PolarHBondContact O-N 3.25Å; N236-H238 VanDerWaalsContact C-N 3.32Å
237R98.6Very high98.8Very high138 Ų13839.7 Ų39.752%0.52120%0.202SC..Hα-helixtrans-67.7-35.3179.9177.8-172.6-65.4174.5-9.3112K233 F234 L235K233-R237 VanDerWaalsContact O-CB 3.26Å; K233-R237 WeakPolarHBondContact O-CB 3.25Å; K233-R237 PolarHBondContact O-N 3.32Å; F234-R237 PolarHBondContact O-N 3.07Å; L235-R237 VanDerWaalsContact C-N 3.3Å; L235-R237 PolarHBondContact O-N 3.19Å
238H98.6Very high98.7Very high46 Ų4642.4 Ų42.421%0.21322%0.215CC..Hα-helixtrans-105.36-172.7-64.9-62.2000113.6Q180 M182 F234 L235 N236 L240Q180-H238 PolarHBondContact O-CE1 2.93Å; M182-H238 HydrophobicContact CE-CB 4.22Å; F234-H238 AromaticContact CD2-CD2 3.51Å; F234-H238 AromaticContact CD2-NE2 3.88Å; F234-H238 AromaticContact CE2-CD2 3.43Å; F234-H238 VanDerWaalsContact CE2-CD2 3.43Å; F234-H238 WeakPolarHBondContact CE2-CD2 3.32Å; F234-H238 AromaticContact CE2-NE2 3.75Å; F234-H238 AromaticContact CZ-CD2 3.96Å; F234-H238 PolarHBondContact O-CD2 3.44Å; F234-H238 VanDerWaalsContact O-CD2 3.26Å; F234-H238 PolarHBondContact O-N 3.16Å; F234-H238 VanDerWaalsContact O-N 3.14Å; L235-H238 PolarHBondContact O-N 2.86Å; N236-H238 VanDerWaalsContact C-N 3.32Å; H238-L240 VanDerWaalsContact C-N 3.26Å; H238-L240 HydrophobicContact CB-CD1 3.78Å; H238-L240 HydrophobicContact CB-CG 3.98Å; H238-L240 PolarHBondContact O-N 3.44Å
239D98.6Very high98.7Very high114 Ų11442.8 Ų42.861%0.6121%0.213SC*.THydrogen-bonded Turntrans54.239.9-176-165.846.8000113.7K167 L235K167-D239 VanDerWaalsContact NZ-CG 3.33Å; K167-D239 PolarHBondContact NZ-O 3.2Å; K167-D239 IonicContact NZ-OD1 3.62Å; K167-D239 IonicContact NZ-OD2 2.84Å; K167-D239 PolarHBondContact NZ-OD2 3.36Å; L235-D239 PolarHBondContact O-N 3Å
240L98.8Very high98.6Very high12 Ų1241.2 Ų41.26%0.06321%0.205CC..  trans-101.6156.5178.3-65.5166.9000110.8I163 E166 F169 M182 F234 L235 H238I163-L240 HydrophobicContact CG2-CD2 4.22Å; E166-L240 WeakPolarHBondContact O-CD2 3.29Å; F169-L240 HydrophobicContact CB-CD1 3.72Å; M182-L240 HydrophobicContact CE-CD1 3.93Å; F234-L240 HydrophobicContact CD1-CD1 4.36Å; F234-L240 HydrophobicContact CE1-CD1 3.61Å; F234-L240 HydrophobicContact CZ-CD1 4.16Å; L235-L240 WeakPolarHBondContact CB-O 3.22Å; L235-L240 HydrophobicContact CD2-CB 3.43Å; L235-L240 VanDerWaalsContact CD2-CB 3.43Å; L235-L240 HydrophobicContact CD2-CD1 4.39Å; L235-L240 PolarHBondContact O-N 3.38Å; H238-L240 VanDerWaalsContact C-N 3.26Å; H238-L240 HydrophobicContact CB-CD1 3.78Å; H238-L240 HydrophobicContact CB-CG 3.98Å; H238-L240 PolarHBondContact O-N 3.44Å
241D98.7Very high98.5Very high99 Ų9947.8 Ų47.853%0.52924%0.235SC..SBendtrans-104.6-31.3180-66.5-23000112.8K167K167-D241 HydrophobicContact CB-CB 4.45Å; K167-D241 WeakPolarHBondContact CD-OD2 3.38Å; K167-D241 PolarHBondContact O-N 3.33Å
242L98.9Very high98.4Very high16 Ų1652.3 Ų52.38%0.08426%0.259CS..EExtended strand (participates in β ladder)trans-145.3141.7-171.4-179.164.9000112.3K167 I168 F169 R260 Q261 V263 M282K167-L242 PolarHBondContact O-N 2.86Å; I168-L242 CarbonylContact C-O 3.55Å; I168-L242 WeakPolarHBondContact CA-O 3.22Å; I168-L242 HydrophobicContact CD1-CD2 4.37Å; I168-L242 HydrophobicContact CG1-CB 4.29Å; I168-L242 HydrophobicContact CG1-CD2 4.45Å; I168-L242 HydrophobicContact CG2-CB 4.11Å; I168-L242 HydrophobicContact CG2-CD2 3.97Å; I168-L242 HydrophobicContact CG2-CG 4.07Å; F169-L242 PolarHBondContact N-O 2.98Å; L242-R260 WeakPolarHBondContact CD1-O 3.42Å; L242-Q261 WeakPolarHBondContact CA-O 3.36Å; L242-V263 HydrophobicContact CD1-CB 4.41Å; L242-V263 HydrophobicContact CD1-CG1 4.1Å; L242-V263 HydrophobicContact CD2-CG1 4.12Å; L242-V263 HydrophobicContact CG-CG1 4.38Å; L242-M282 HydrophobicContact CD2-CE 4.19Å; L242-M282 HydrophobicContact CD2-SD 4.3Å
243I98.9Very high98.3Very high0 Ų050.5 Ų50.50%025%0.246CC..EExtended strand (participates in β ladder)trans-100.5126160.1-62.3165000108.4F169 L175 V231 F234 L235 Q261 L262 V263F169-I243 HydrophobicContact CD1-CG2 4.42Å; F169-I243 CarbonylContact O-C 3.58Å; F169-I243 WeakPolarHBondContact O-CA 3.33Å; L175-I243 HydrophobicContact CD1-CD1 3.76Å; L175-I243 HydrophobicContact CD2-CD1 3.83Å; L175-I243 HydrophobicContact CG-CD1 3.97Å; V231-I243 HydrophobicContact CB-CD1 4.47Å; V231-I243 HydrophobicContact CG1-CD1 4.03Å; V231-I243 HydrophobicContact CG2-CD1 4.25Å; F234-I243 HydrophobicContact CD1-CD1 3.89Å; F234-I243 HydrophobicContact CD1-CG1 4.22Å; F234-I243 HydrophobicContact CE1-CD1 4.3Å; F234-I243 HydrophobicContact CE1-CG1 4.24Å; L235-I243 HydrophobicContact CD2-CG1 3.94Å; L235-I243 HydrophobicContact CG-CG1 4.49Å; I243-Q261 PolarHBondContact N-O 3.19Å; I243-L262 HydrophobicContact CB-CB 4.14Å; I243-L262 HydrophobicContact CB-CD1 3.99Å; I243-L262 HydrophobicContact CB-CG 3.96Å; I243-L262 HydrophobicContact CD1-CD1 4.24Å; I243-L262 HydrophobicContact CG2-CD1 3.77Å; I243-L262 HydrophobicContact CG2-CG 3.99Å; I243-L262 CarbonylContact O-C 3.49Å; I243-L262 VanDerWaalsContact O-CA 3.26Å; I243-L262 WeakPolarHBondContact O-CA 3.39Å; I243-V263 PolarHBondContact O-N 2.78Å
244C98.9Very high98.3Very high0 Ų048 Ų480%023%0.234CC..EExtended strand (participates in β ladder)trans-111.3120.6172.3-175.30000109.5I168 F169 C170 C171 V263 L265 M282I168-C244 HydrophobicContact CG2-CB 3.86Å; F169-C244 PolarHBondContact O-N 2.77Å; C170-C244 VanDerWaalsContact CA-O 3.26Å; C170-C244 WeakPolarHBondContact CA-O 3.47Å; C171-C244 PolarHBondContact N-O 2.77Å; C244-V263 HydrophobicContact CB-CG1 4.05Å; C244-L265 VanDerWaalsContact SG-CD1 3.53Å; C244-M282 HydrophobicContact CB-CE 4.07Å
245R98.9Very high98.3Very high0 Ų052.9 Ų52.90%026%0.257CS..EExtended strand (participates in β ladder)trans-138.1176.4-17672.778.751.2146.217113.2C171 H172 G173 S206 D207 H247 L262 V263 T264 L265C171-R245 VanDerWaalsContact O-CA 3.27Å; C171-R245 WeakPolarHBondContact O-CA 3.41Å; H172-R245 PolarHBondContact O-NE 3.38Å; G173-R245 VanDerWaalsContact CA-NH2 3.29Å; G173-R245 WeakPolarHBondContact O-CB 3.37Å; G173-R245 PolarHBondContact O-NE 3.3Å; G173-R245 PolarHBondContact O-NH2 2.98Å; S206-R245 PolarHBondContact O-NH2 3.42Å; D207-R245 IonicContact OD1-CZ 3.37Å; D207-R245 IonicContact OD1-NH1 3.49Å; D207-R245 PolarHBondContact OD1-NH1 3.16Å; D207-R245 IonicContact OD1-NH2 3.49Å; D207-R245 PolarHBondContact OD1-NH2 3.13Å; R245-H247 PolarHBondContact NH2-CD2 3.46Å; R245-L262 HydrophobicContact CG-CD1 4.41Å; R245-L262 HydrophobicContact CG-CD2 4.03Å; R245-L262 HydrophobicContact CG-CG 4.36Å; R245-V263 PolarHBondContact N-O 3.41Å; R245-T264 VanDerWaalsContact CD-OG1 3.28Å; R245-T264 WeakPolarHBondContact CD-OG1 3.36Å; R245-T264 CarbonylContact O-C 3.28Å; R245-T264 WeakPolarHBondContact O-CA 3.26Å; R245-L265 PolarHBondContact O-N 3.1Å
246A98.9Very high98.3Very high0 Ų056.1 Ų56.10%027%0.271CS..  trans-129.4-125.7-176.800000114.2D63 L89 H172 Q248 T264 L265D63-A246 WeakPolarHBondContact OD1-CB 3.37Å; L89-A246 HydrophobicContact CB-CB 3.78Å; L89-A246 HydrophobicContact CD1-CB 3.96Å; H172-A246 PolarHBondContact O-N 2.88Å; A246-Q248 PolarHBondContact O-N 3.41Å; A246-T264 WeakPolarHBondContact O-CG2 3.48Å; A246-L265 WeakPolarHBondContact CA-O 3.43Å; A246-L265 WeakPolarHBondContact CB-O 3.38Å
247H98.6Very high98.3Very high10 Ų1051.4 Ų51.45%0.04624%0.244CC..SBendtrans65.1-21.1162.4-167.862.5000119.1D63 N123 H172 W205 D207 R220 R245D63-H247 PolarHBondContact OD1-N 2.86Å; D63-H247 WeakPolarHBondContact OD2-CA 3.46Å; N123-H247 PolarHBondContact OD1-CE1 3.24Å; N123-H247 PolarHBondContact OD1-ND1 3.48Å; H172-H247 AromaticContact CD2-CG 3.99Å; H172-H247 AromaticContact CD2-ND1 3.66Å; H172-H247 WeakPolarHBondContact NE2-CB 3.48Å; H172-H247 AromaticContact NE2-CG 3.56Å; H172-H247 AromaticContact NE2-ND1 3.07Å; H172-H247 PolarHBondContact NE2-ND1 3.36Å; W205-H247 AromaticContact CE3-CE1 3.81Å; W205-H247 AromaticContact CE3-NE2 3.94Å; D207-H247 IonicContact OD1-CD2 3.93Å; D207-H247 PolarHBondContact OD1-CD2 3.17Å; D207-H247 VanDerWaalsContact OD1-CD2 3.31Å; D207-H247 IonicContact OD2-CD2 3.34Å; R220-H247 PolarHBondContact NE-NE2 2.95Å; R220-H247 PolarHBondContact NH2-CD2 3.19Å; R220-H247 VanDerWaalsContact NH2-CD2 3.32Å; R220-H247 PolarHBondContact NH2-NE2 2.92Å; R220-H247 PolarHBondContact NH2-O 2.73Å; R245-H247 PolarHBondContact NH2-CD2 3.46Å
248Q98.4Very high98.3Very high57 Ų5745.4 Ų45.427%0.26623%0.225SC..SBendtrans-116.9128.8177.2-78.7175.5-48.500109.9D207 A246 V250 T264 F266D207-Q248 VanDerWaalsContact OD1-CG 3.25Å; D207-Q248 WeakPolarHBondContact OD1-CG 3.37Å; D207-Q248 PolarHBondContact OD1-OE1 3.5Å; A246-Q248 PolarHBondContact O-N 3.41Å; Q248-V250 PolarHBondContact O-N 3.14Å; Q248-T264 HydrophobicContact CB-CG2 4.17Å; Q248-F266 WeakPolarHBondContact O-CD2 3.49Å
249V97.7Very high98.2Very high47 Ų4753.1 Ų53.129%0.28526%0.257SS..  trans-64.6124.9171.1-175.40000108.4F266 Y271 F275 N277V249-F266 HydrophobicContact CG2-CD2 4.32Å; V249-F266 HydrophobicContact CG2-CE1 4.06Å; V249-F266 HydrophobicContact CG2-CE2 3.77Å; V249-F266 HydrophobicContact CG2-CZ 3.64Å; V249-Y271 HydrophobicContact CG2-CD1 3.54Å; V249-Y271 HydrophobicContact CG2-CE1 4.03Å; V249-Y271 HydrophobicContact CG2-CG 4.16Å; V249-F275 HydrophobicContact CG1-CB 4.38Å; V249-F275 HydrophobicContact CG1-CD1 4.05Å; V249-F275 HydrophobicContact CG1-CG 4.19Å; V249-N277 HydrophobicContact CG1-CB 3.8Å
250V97.4Very high98.2Very high8 Ų856.3 Ų56.35%0.04826%0.261CS..  trans-125.1142.6177.6-69.30000109.6Q248 D252 G253 E255 T264 F266 N277Q248-V250 PolarHBondContact O-N 3.14Å; V250-D252 PolarHBondContact O-N 2.75Å; V250-G253 PolarHBondContact O-N 2.99Å; V250-G253 VanDerWaalsContact O-N 3.1Å; V250-E255 HydrophobicContact CB-CB 3.9Å; V250-E255 HydrophobicContact CG1-CB 3.61Å; V250-E255 HydrophobicContact CG2-CB 4.44Å; V250-T264 HydrophobicContact CG1-CG2 3.74Å; V250-T264 HydrophobicContact CG2-CG2 4.36Å; V250-F266 HydrophobicContact CG2-CB 3.98Å; V250-N277 WeakPolarHBondContact O-CB 3.32Å
251E95.5Very high98.2Very high153 Ų15358 Ų5872%0.71527%0.269SS*.THydrogen-bonded Turntrans-56.2-48.9-166.7-175.2174.9-179.300112.9G253 N277 A278E251-G253 VanDerWaalsContact C-N 3.31Å; E251-G253 PolarHBondContact O-N 3.34Å; E251-N277 CarbonylContact O-C 3.53Å; E251-N277 VanDerWaalsContact O-CA 3.32Å; E251-N277 WeakPolarHBondContact O-CA 3.05Å; E251-A278 PolarHBondContact O-N 2.74Å
252D96.3Very high98.2Very high95 Ų9553.3 Ų53.351%0.50824%0.243SC..THydrogen-bonded Turntrans-89.87.7-176.9-72.4-41.7000113.4V250 Y254 I294V250-D252 PolarHBondContact O-N 2.75Å; D252-Y254 HydrophobicContact CB-CD1 4.3Å; D252-Y254 HydrophobicContact CB-CE1 4.26Å; D252-Y254 PolarHBondContact O-N 3.03Å; D252-I294 WeakPolarHBondContact O-CD1 3.15Å; D252-I294 WeakPolarHBondContact O-CG2 3.37Å
253G97.5Very high98.2Very high0 Ų052.5 Ų52.50%024%0.239CC..SBendtrans75.1-4.9-173.300000114.2V250 E251 F266 A278 G280V250-G253 PolarHBondContact O-N 2.99Å; V250-G253 VanDerWaalsContact O-N 3.1Å; E251-G253 VanDerWaalsContact C-N 3.31Å; E251-G253 PolarHBondContact O-N 3.34Å; G253-F266 WeakPolarHBondContact CA-O 3.35Å; G253-F266 PolarHBondContact O-N 3.3Å; G253-A278 VanDerWaalsContact CA-O 3.27Å; G253-A278 WeakPolarHBondContact CA-O 3.49Å; G253-A278 PolarHBondContact N-O 2.89Å; G253-G280 WeakPolarHBondContact O-CA 3.33Å
254Y98.6Very high98.2Very high71 Ų7152.7 Ų52.728%0.27824%0.241SC..EExtended strand (participates in β ladder)trans-144.3152162.977.9-73.2000110.8D252 F256 V263 T264 F292 I294D252-Y254 HydrophobicContact CB-CD1 4.3Å; D252-Y254 HydrophobicContact CB-CE1 4.26Å; D252-Y254 PolarHBondContact O-N 3.03Å; Y254-F256 HydrophobicContact CD2-CD2 4.38Å; Y254-F256 HydrophobicContact CD2-CE2 4.27Å; Y254-F256 HydrophobicContact CE2-CD2 4.07Å; Y254-F256 AromaticContact CE2-CE2 3.89Å; Y254-F256 HydrophobicContact CE2-CE2 3.89Å; Y254-V263 HydrophobicContact CD2-CG2 4.39Å; Y254-T264 CarbonylContact C-O 3.6Å; Y254-T264 WeakPolarHBondContact CA-O 3.38Å; Y254-F292 HydrophobicContact CD1-CB 4.15Å; Y254-F292 HydrophobicContact CD1-CD1 4.12Å; Y254-F292 HydrophobicContact CD1-CG 4.08Å; Y254-F292 AromaticContact CD2-CD1 3.77Å; Y254-F292 HydrophobicContact CD2-CD1 3.77Å; Y254-F292 HydrophobicContact CD2-CD2 4.01Å; Y254-F292 AromaticContact CD2-CE1 3.69Å; Y254-F292 HydrophobicContact CD2-CE1 3.69Å; Y254-F292 AromaticContact CD2-CE2 3.96Å; Y254-F292 HydrophobicContact CD2-CE2 3.96Å; Y254-F292 AromaticContact CD2-CG 3.93Å; Y254-F292 HydrophobicContact CD2-CG 3.93Å; Y254-F292 AromaticContact CD2-CZ 3.8Å; Y254-F292 HydrophobicContact CD2-CZ 3.8Å; Y254-F292 HydrophobicContact CE1-CB 4.16Å; Y254-F292 HydrophobicContact CE1-CG 4.22Å; Y254-F292 HydrophobicContact CE2-CD1 4.39Å; Y254-F292 AromaticContact CE2-CD2 3.83Å; Y254-F292 HydrophobicContact CE2-CD2 3.83Å; Y254-F292 HydrophobicContact CE2-CE1 4.45Å; Y254-F292 AromaticContact CE2-CE2 3.91Å; Y254-F292 HydrophobicContact CE2-CE2 3.91Å; Y254-F292 HydrophobicContact CE2-CG 4.09Å; Y254-F292 HydrophobicContact CE2-CZ 4.23Å; Y254-F292 HydrophobicContact CG-CB 4.47Å; Y254-F292 AromaticContact CG-CD1 3.6Å; Y254-F292 HydrophobicContact CG-CD1 3.6Å; Y254-F292 HydrophobicContact CG-CD2 4.45Å; Y254-F292 AromaticContact CG-CE1 3.9Å; Y254-F292 HydrophobicContact CG-CE1 3.9Å; Y254-F292 AromaticContact CG-CG 3.91Å; Y254-F292 HydrophobicContact CG-CG 3.91Å; Y254-F292 HydrophobicContact CG-CZ 4.46Å; Y254-I294 HydrophobicContact CD1-CD1 3.53Å; Y254-I294 HydrophobicContact CE1-CD1 3.79Å; Y254-I294 HydrophobicContact CE1-CG1 4.41Å
255E98.7Very high98.2Very high113 Ų11352.7 Ų52.753%0.52824%0.241SC..EExtended strand (participates in β ladder)trans-146.4135.9172.8-171.7172.694.600110.7V250 V263 T264V250-E255 HydrophobicContact CB-CB 3.9Å; V250-E255 HydrophobicContact CG1-CB 3.61Å; V250-E255 HydrophobicContact CG2-CB 4.44Å; E255-V263 WeakPolarHBondContact O-CA 3.33Å; E255-T264 PolarHBondContact N-O 3.11Å; E255-T264 PolarHBondContact O-N 3.05Å
256F98.7Very high98.2Very high70 Ų7052.8 Ų52.831%0.30724%0.241SC..EExtended strand (participates in β ladder)trans-91143.1175.6-79.2-67.5000112Y254 R260 L262 V263 F292Y254-F256 HydrophobicContact CD2-CD2 4.38Å; Y254-F256 HydrophobicContact CD2-CE2 4.27Å; Y254-F256 HydrophobicContact CE2-CD2 4.07Å; Y254-F256 AromaticContact CE2-CE2 3.89Å; Y254-F256 HydrophobicContact CE2-CE2 3.89Å; F256-R260 HydrophobicContact CB-CB 4.5Å; F256-R260 HydrophobicContact CB-CG 4.07Å; F256-R260 HydrophobicContact CD1-CB 3.64Å; F256-R260 HydrophobicContact CD1-CG 3.89Å; F256-R260 HydrophobicContact CD2-CG 4.08Å; F256-R260 HydrophobicContact CE1-CB 3.9Å; F256-R260 HydrophobicContact CE1-CG 4.27Å; F256-R260 HydrophobicContact CE2-CG 4.46Å; F256-R260 HydrophobicContact CG-CB 4.06Å; F256-R260 HydrophobicContact CG-CG 3.76Å; F256-L262 WeakPolarHBondContact CA-O 3.49Å; F256-V263 HydrophobicContact CD1-CB 3.88Å; F256-V263 HydrophobicContact CD1-CG2 4.13Å; F256-V263 HydrophobicContact CE1-CB 3.88Å; F256-V263 HydrophobicContact CE1-CG2 4.1Å; F256-F292 HydrophobicContact CE1-CZ 4.25Å; F256-F292 AromaticContact CE2-CE2 3.8Å; F256-F292 HydrophobicContact CE2-CE2 3.8Å; F256-F292 HydrophobicContact CE2-CZ 4.01Å; F256-F292 AromaticContact CZ-CE2 3.61Å; F256-F292 HydrophobicContact CZ-CE2 3.61Å; F256-F292 AromaticContact CZ-CZ 3.55Å; F256-F292 HydrophobicContact CZ-CZ 3.55Å
257F98.8Very high98.2Very high30 Ų3053 Ų5313%0.13224%0.242CC..EExtended strand (participates in β ladder)trans-126.8163.3174179.7-105.1000110.8P208 K210 A228 V231 K259 R260 Q261 L262P208-F257 HydrophobicContact CB-CD1 3.73Å; P208-F257 HydrophobicContact CB-CD2 4.28Å; P208-F257 HydrophobicContact CB-CE1 3.78Å; P208-F257 HydrophobicContact CB-CE2 4.33Å; P208-F257 HydrophobicContact CB-CG 3.98Å; P208-F257 HydrophobicContact CB-CZ 4.09Å; K210-F257 HydrophobicContact CB-CE2 4.01Å; A228-F257 HydrophobicContact CB-CE1 4.06Å; A228-F257 HydrophobicContact CB-CZ 3.95Å; V231-F257 HydrophobicContact CG2-CD1 4.12Å; V231-F257 HydrophobicContact CG2-CE1 3.91Å; F257-K259 PolarHBondContact O-N 2.97Å; F257-R260 WeakPolarHBondContact O-CA 3.39Å; F257-R260 PolarHBondContact O-N 2.74Å; F257-Q261 PolarHBondContact O-N 2.72Å; F257-L262 HydrophobicContact CB-CB 4.18Å; F257-L262 HydrophobicContact CB-CD2 3.84Å; F257-L262 HydrophobicContact CD1-CB 4.19Å; F257-L262 HydrophobicContact CD1-CD2 4.49Å; F257-L262 PolarHBondContact N-O 2.9Å; F257-L262 PolarHBondContact O-N 2.72Å
258A98.2Very high98.1Very high13 Ų1352.5 Ų52.511%0.10724%0.24CC..G310 helixtrans47.753.3174.200000114.2A228 V231 R260 Q261A228-A258 HydrophobicContact CB-CB 3.71Å; V231-A258 HydrophobicContact CB-CB 4.08Å; V231-A258 HydrophobicContact CG1-CB 3.9Å; V231-A258 HydrophobicContact CG2-CB 4.48Å; A258-R260 VanDerWaalsContact C-N 3.3Å; A258-R260 PolarHBondContact O-N 3.12Å; A258-Q261 HydrophobicContact CB-CB 4.18Å; A258-Q261 WeakPolarHBondContact O-CB 3.41Å; A258-Q261 VanDerWaalsContact O-CG 3.27Å; A258-Q261 WeakPolarHBondContact O-CG 3.49Å; A258-Q261 PolarHBondContact O-N 3.29Å; A258-Q261 VanDerWaalsContact O-N 3.15Å
259K97.9Very high98Very high207 Ų20750 Ų5090%0.923%0.228SC*.G310 helixtrans55.541.6-177.4-56178.1-178.8175.40113.4F257 Q261F257-K259 PolarHBondContact O-N 2.97Å; K259-Q261 VanDerWaalsContact C-N 3.27Å; K259-Q261 PolarHBondContact O-N 3.19Å
260R98.3Very high97.9Very high181 Ų18149.6 Ų49.668%0.68323%0.225SC*.G310 helixtrans70.114.3-178.8-50.8-177.5171.9179.2-4.3115.3L242 F256 F257 A258 L262L242-R260 WeakPolarHBondContact CD1-O 3.42Å; F256-R260 HydrophobicContact CB-CB 4.5Å; F256-R260 HydrophobicContact CB-CG 4.07Å; F256-R260 HydrophobicContact CD1-CB 3.64Å; F256-R260 HydrophobicContact CD1-CG 3.89Å; F256-R260 HydrophobicContact CD2-CG 4.08Å; F256-R260 HydrophobicContact CE1-CB 3.9Å; F256-R260 HydrophobicContact CE1-CG 4.27Å; F256-R260 HydrophobicContact CE2-CG 4.46Å; F256-R260 HydrophobicContact CG-CB 4.06Å; F256-R260 HydrophobicContact CG-CG 3.76Å; F257-R260 WeakPolarHBondContact O-CA 3.39Å; F257-R260 PolarHBondContact O-N 2.74Å; A258-R260 VanDerWaalsContact C-N 3.3Å; A258-R260 PolarHBondContact O-N 3.12Å; R260-L262 VanDerWaalsContact C-N 3.28Å
261Q98.8Very high97.6Very high48 Ų4850.3 Ų50.322%0.22423%0.227CC..THydrogen-bonded Turntrans-77.5-15.4172.9-71.6-168.9-61.700113.2V231 S232 L235 L242 I243 F257 A258 K259V231-Q261 HydrophobicContact CG1-CB 3.69Å; S232-Q261 PolarHBondContact OG-OE1 3.24Å; L235-Q261 HydrophobicContact CD1-CB 3.53Å; L235-Q261 HydrophobicContact CD1-CG 3.93Å; L242-Q261 WeakPolarHBondContact CA-O 3.36Å; I243-Q261 PolarHBondContact N-O 3.19Å; F257-Q261 PolarHBondContact O-N 2.72Å; A258-Q261 HydrophobicContact CB-CB 4.18Å; A258-Q261 WeakPolarHBondContact O-CB 3.41Å; A258-Q261 VanDerWaalsContact O-CG 3.27Å; A258-Q261 WeakPolarHBondContact O-CG 3.49Å; A258-Q261 PolarHBondContact O-N 3.29Å; A258-Q261 VanDerWaalsContact O-N 3.15Å; K259-Q261 VanDerWaalsContact C-N 3.27Å; K259-Q261 PolarHBondContact O-N 3.19Å
262L98.9Very high97.1Very high0 Ų045.3 Ų45.30%021%0.209CC..EExtended strand (participates in β ladder)trans-133.5141.8170.9-179.5153.7000109.3P208 F226 V231 I243 R245 F256 F257 R260P208-L262 HydrophobicContact CB-CD1 4.39Å; P208-L262 HydrophobicContact CB-CD2 4.46Å; P208-L262 HydrophobicContact CG-CD2 4.07Å; F226-L262 HydrophobicContact CE2-CD1 3.79Å; F226-L262 HydrophobicContact CZ-CD1 4.02Å; V231-L262 HydrophobicContact CG1-CB 4.27Å; V231-L262 HydrophobicContact CG2-CB 4.48Å; V231-L262 HydrophobicContact CG2-CD1 4.05Å; I243-L262 HydrophobicContact CB-CB 4.14Å; I243-L262 HydrophobicContact CB-CD1 3.99Å; I243-L262 HydrophobicContact CB-CG 3.96Å; I243-L262 HydrophobicContact CD1-CD1 4.24Å; I243-L262 HydrophobicContact CG2-CD1 3.77Å; I243-L262 HydrophobicContact CG2-CG 3.99Å; I243-L262 CarbonylContact O-C 3.49Å; I243-L262 VanDerWaalsContact O-CA 3.26Å; I243-L262 WeakPolarHBondContact O-CA 3.39Å; R245-L262 HydrophobicContact CG-CD1 4.41Å; R245-L262 HydrophobicContact CG-CD2 4.03Å; R245-L262 HydrophobicContact CG-CG 4.36Å; F256-L262 WeakPolarHBondContact CA-O 3.49Å; F257-L262 HydrophobicContact CB-CB 4.18Å; F257-L262 HydrophobicContact CB-CD2 3.84Å; F257-L262 HydrophobicContact CD1-CB 4.19Å; F257-L262 HydrophobicContact CD1-CD2 4.49Å; F257-L262 PolarHBondContact N-O 2.9Å; F257-L262 PolarHBondContact O-N 2.72Å; R260-L262 VanDerWaalsContact C-N 3.28Å
263V98.9Very high96.5Very high0 Ų042.9 Ų42.90%021%0.205CC..EExtended strand (participates in β ladder)trans-125.7131.8170.465.70000110.4L242 I243 C244 R245 Y254 E255 F256 L265 M282 F292L242-V263 HydrophobicContact CD1-CB 4.41Å; L242-V263 HydrophobicContact CD1-CG1 4.1Å; L242-V263 HydrophobicContact CD2-CG1 4.12Å; L242-V263 HydrophobicContact CG-CG1 4.38Å; I243-V263 PolarHBondContact O-N 2.78Å; C244-V263 HydrophobicContact CB-CG1 4.05Å; R245-V263 PolarHBondContact N-O 3.41Å; Y254-V263 HydrophobicContact CD2-CG2 4.39Å; E255-V263 WeakPolarHBondContact O-CA 3.33Å; F256-V263 HydrophobicContact CD1-CB 3.88Å; F256-V263 HydrophobicContact CD1-CG2 4.13Å; F256-V263 HydrophobicContact CE1-CB 3.88Å; F256-V263 HydrophobicContact CE1-CG2 4.1Å; V263-L265 HydrophobicContact CG2-CD2 4.26Å; V263-M282 HydrophobicContact CG1-CE 4.39Å; V263-M282 HydrophobicContact CG1-SD 4.04Å; V263-F292 HydrophobicContact CG2-CE1 3.84Å; V263-F292 HydrophobicContact CG2-CZ 3.96Å
264T98.9Very high95.7Very high4 Ų450.6 Ų50.63%0.02524%0.242CC..EExtended strand (participates in β ladder)trans-94.2131.2168.5-63.40000108.3R245 A246 Q248 V250 Y254 E255R245-T264 VanDerWaalsContact CD-OG1 3.28Å; R245-T264 WeakPolarHBondContact CD-OG1 3.36Å; R245-T264 CarbonylContact O-C 3.28Å; R245-T264 WeakPolarHBondContact O-CA 3.26Å; A246-T264 WeakPolarHBondContact O-CG2 3.48Å; Q248-T264 HydrophobicContact CB-CG2 4.17Å; V250-T264 HydrophobicContact CG1-CG2 3.74Å; V250-T264 HydrophobicContact CG2-CG2 4.36Å; Y254-T264 CarbonylContact C-O 3.6Å; Y254-T264 WeakPolarHBondContact CA-O 3.38Å; E255-T264 PolarHBondContact N-O 3.11Å; E255-T264 PolarHBondContact O-N 3.05Å
265L98.9Very high95.2Very high0 Ų051.6 Ų51.60%025%0.248CC..EExtended strand (participates in β ladder)trans-115.6135.9174.5-65.1-178.1000110.2I60 L89 C244 R245 A246 V263 M282 F292I60-L265 HydrophobicContact CB-CD1 4.11Å; I60-L265 HydrophobicContact CG2-CD1 3.98Å; I60-L265 WeakPolarHBondContact O-CD1 3.37Å; L89-L265 HydrophobicContact CD1-CB 4.46Å; L89-L265 HydrophobicContact CD1-CD1 4.33Å; C244-L265 VanDerWaalsContact SG-CD1 3.53Å; R245-L265 PolarHBondContact O-N 3.1Å; A246-L265 WeakPolarHBondContact CA-O 3.43Å; A246-L265 WeakPolarHBondContact CB-O 3.38Å; V263-L265 HydrophobicContact CG2-CD2 4.26Å; L265-M282 HydrophobicContact CD1-CB 3.77Å; L265-M282 HydrophobicContact CD2-CB 4.15Å; L265-F292 HydrophobicContact CD2-CD1 4.09Å; L265-F292 HydrophobicContact CD2-CE1 3.88Å
266F98.7Very high94.9Very high2 Ų253.4 Ų53.41%0.00926%0.261CS..BIsolated β-bridgetrans-135.8119173.3-162.8-90000108.9D63 Q248 V249 V250 G253 A268 Y271 G279 G280D63-F266 HydrophobicContact CB-CD2 3.87Å; D63-F266 HydrophobicContact CB-CE2 3.54Å; D63-F266 HydrophobicContact CB-CZ 3.99Å; D63-F266 WeakPolarHBondContact OD2-CE2 3.09Å; Q248-F266 WeakPolarHBondContact O-CD2 3.49Å; V249-F266 HydrophobicContact CG2-CD2 4.32Å; V249-F266 HydrophobicContact CG2-CE1 4.06Å; V249-F266 HydrophobicContact CG2-CE2 3.77Å; V249-F266 HydrophobicContact CG2-CZ 3.64Å; V250-F266 HydrophobicContact CG2-CB 3.98Å; G253-F266 WeakPolarHBondContact CA-O 3.35Å; G253-F266 PolarHBondContact O-N 3.3Å; F266-A268 HydrophobicContact CD1-CB 4.28Å; F266-A268 HydrophobicContact CE1-CB 3.62Å; F266-A268 VanDerWaalsContact CE1-O 3.25Å; F266-A268 WeakPolarHBondContact CE1-O 3.44Å; F266-A268 HydrophobicContact CZ-CB 4.24Å; F266-Y271 AromaticContact CE1-CD2 3.9Å; F266-Y271 HydrophobicContact CE1-CD2 3.9Å; F266-Y271 AromaticContact CE1-CG 3.84Å; F266-Y271 HydrophobicContact CE1-CG 3.84Å; F266-Y271 HydrophobicContact CZ-CD1 4.09Å; F266-Y271 AromaticContact CZ-CD2 3.64Å; F266-Y271 HydrophobicContact CZ-CD2 3.64Å; F266-Y271 HydrophobicContact CZ-CE1 4.34Å; F266-Y271 AromaticContact CZ-CE2 3.94Å; F266-Y271 HydrophobicContact CZ-CE2 3.94Å; F266-Y271 AromaticContact CZ-CG 3.71Å; F266-Y271 HydrophobicContact CZ-CG 3.71Å; F266-G279 CarbonylContact O-C 3.58Å; F266-G279 VanDerWaalsContact O-CA 3.25Å; F266-G279 WeakPolarHBondContact O-CA 3.23Å; F266-G280 PolarHBondContact O-N 3.38Å
267S98.6Very high94.8Very high3 Ų350.3 Ų50.32%0.02125%0.248CC..  trans-103.3-1.2-167.4-62.20000114.2G62 D63 P269 G280G62-S267 PolarHBondContact N-OG 3.45Å; D63-S267 CarbonylContact O-C 3.47Å; D63-S267 VanDerWaalsContact O-C 3.28Å; D63-S267 WeakPolarHBondContact O-CA 3.48Å; D63-S267 WeakPolarHBondContact O-CB 3.14Å; D63-S267 PolarHBondContact O-N 3.46Å; S267-P269 WeakPolarHBondContact O-CD 3.38Å; S267-G280 PolarHBondContact OG-O 2.74Å
268A97.4Very high94.7Very high1 Ų149.3 Ų49.31%0.00825%0.245CC..  trans-96.597.5177.100000111.3D63 Q67 F266 Y271 N277D63-A268 PolarHBondContact O-N 3.42Å; Q67-A268 HydrophobicContact CG-CB 4.3Å; F266-A268 HydrophobicContact CD1-CB 4.28Å; F266-A268 HydrophobicContact CE1-CB 3.62Å; F266-A268 VanDerWaalsContact CE1-O 3.25Å; F266-A268 WeakPolarHBondContact CE1-O 3.44Å; F266-A268 HydrophobicContact CZ-CB 4.24Å; A268-Y271 HydrophobicContact CB-CD2 4.19Å; A268-N277 PolarHBondContact O-ND2 3.47Å
269P96.2Very high94.6Very high3 Ų348.7 Ų48.72%0.01924%0.24CC..THydrogen-bonded Turntrans-67.9149.2178.329.1-36.2000111.8Q67 D70 S267 Y271 N277 L295 P297Q67-P269 PolarHBondContact NE2-O 3.45Å; D70-P269 HydrophobicContact CB-CG 3.99Å; S267-P269 WeakPolarHBondContact O-CD 3.38Å; P269-Y271 VanDerWaalsContact C-N 3.28Å; P269-Y271 PolarHBondContact O-N 2.68Å; P269-N277 WeakPolarHBondContact CA-O 3.46Å; P269-L295 HydrophobicContact CG-CD2 4.05Å; P269-L295 HydrophobicContact CG-CG 4.41Å; P269-P297 HydrophobicContact CB-CG 4.36Å
270N94.1Very high94.5Very high39 Ų3939 Ų3921%0.20920%0.198CC..THydrogen-bonded Turntrans4754.4-178.6166.684.8000110.8C272 G273 F275 N277 P297N270-C272 PolarHBondContact O-N 3.43Å; N270-G273 PolarHBondContact O-N 3.2Å; N270-F275 CarbonylContact C-O 3.5Å; N270-F275 WeakPolarHBondContact CA-O 3.34Å; N270-F275 PolarHBondContact OD1-O 3.11Å; N270-F275 VanDerWaalsContact OD1-O 3.11Å; N270-N277 PolarHBondContact N-O 2.93Å; N270-N277 PolarHBondContact N-OD1 3.13Å; N270-P297 HydrophobicContact CB-CB 3.86Å; N270-P297 HydrophobicContact CB-CG 3.97Å
271Y92.6Very high94.5Very high23 Ų2330.6 Ų30.69%0.0917%0.167CC..G310 helixtrans-54132.5-169.6-179.2-122.7000111.5H65 R95 V249 F266 A268 P269 G273 E274 F275 N277H65-Y271 HydrophobicContact CB-CE2 3.75Å; H65-Y271 AromaticContact CD2-CE2 3.21Å; H65-Y271 WeakPolarHBondContact CD2-CE2 3.17Å; H65-Y271 AromaticContact CD2-CZ 3.55Å; H65-Y271 PolarHBondContact CD2-OH 2.96Å; H65-Y271 VanDerWaalsContact CD2-OH 3.25Å; H65-Y271 AromaticContact CG-CE2 3.69Å; H65-Y271 AromaticContact NE2-CE2 3.97Å; H65-Y271 AromaticContact NE2-CZ 3.81Å; H65-Y271 PolarHBondContact NE2-OH 2.92Å; H65-Y271 VanDerWaalsContact NE2-OH 3.08Å; R95-Y271 HydrophobicContact CB-CE2 4.35Å; R95-Y271 WeakPolarHBondContact CG-OH 3.48Å; V249-Y271 HydrophobicContact CG2-CD1 3.54Å; V249-Y271 HydrophobicContact CG2-CE1 4.03Å; V249-Y271 HydrophobicContact CG2-CG 4.16Å; F266-Y271 AromaticContact CE1-CD2 3.9Å; F266-Y271 HydrophobicContact CE1-CD2 3.9Å; F266-Y271 AromaticContact CE1-CG 3.84Å; F266-Y271 HydrophobicContact CE1-CG 3.84Å; F266-Y271 HydrophobicContact CZ-CD1 4.09Å; F266-Y271 AromaticContact CZ-CD2 3.64Å; F266-Y271 HydrophobicContact CZ-CD2 3.64Å; F266-Y271 HydrophobicContact CZ-CE1 4.34Å; F266-Y271 AromaticContact CZ-CE2 3.94Å; F266-Y271 HydrophobicContact CZ-CE2 3.94Å; F266-Y271 AromaticContact CZ-CG 3.71Å; F266-Y271 HydrophobicContact CZ-CG 3.71Å; A268-Y271 HydrophobicContact CB-CD2 4.19Å; P269-Y271 VanDerWaalsContact C-N 3.28Å; P269-Y271 PolarHBondContact O-N 2.68Å; Y271-G273 PolarHBondContact O-N 3.03Å; Y271-E274 PolarHBondContact O-N 3.41Å; Y271-F275 AromaticContact CD1-CD2 3.8Å; Y271-F275 HydrophobicContact CD1-CD2 3.8Å; Y271-F275 AromaticContact CD1-CE2 3.89Å; Y271-F275 HydrophobicContact CD1-CE2 3.89Å; Y271-F275 HydrophobicContact CG-CD2 4.43Å; Y271-F275 WeakPolarHBondContact O-CD2 3.28Å; Y271-F275 PolarHBondContact O-N 3.42Å; Y271-N277 WeakPolarHBondContact CB-OD1 3.12Å; Y271-N277 PolarHBondContact N-OD1 3.19Å
272C84.4Confident94.5Very high49 Ų4928.3 Ų28.333%0.33116%0.156SC..G310 helixtrans55.13.9-175.2-630000115.7N270 E274N270-C272 PolarHBondContact O-N 3.43Å; C272-E274 HydrophobicContact CB-CB 4.48Å; C272-E274 HydrophobicContact CB-CG 4.28Å; C272-E274 PolarHBondContact O-N 3.17Å
273G83Confident94.5Very high43 Ų4329 Ų2944%0.44316%0.161SC..G310 helixtrans69.714.8-168.200000114.7N270 Y271N270-G273 PolarHBondContact O-N 3.2Å; Y271-G273 PolarHBondContact O-N 3.03Å
274E81.6Confident94.5Very high163 Ų16329.1 Ų29.176%0.76216%0.162SC*.THydrogen-bonded Turntrans-112.4-27.4-176.8-64.9-178.1179.100112.2Y271 C272Y271-E274 PolarHBondContact O-N 3.41Å; C272-E274 HydrophobicContact CB-CB 4.48Å; C272-E274 HydrophobicContact CB-CG 4.28Å; C272-E274 PolarHBondContact O-N 3.17Å
275F87.7Confident94.4Very high92 Ų9231.4 Ų31.440%0.40417%0.174SC..  trans-101.7152.8176.3-62.3-96.1000110.3V249 N270 Y271 N277V249-F275 HydrophobicContact CG1-CB 4.38Å; V249-F275 HydrophobicContact CG1-CD1 4.05Å; V249-F275 HydrophobicContact CG1-CG 4.19Å; N270-F275 CarbonylContact C-O 3.5Å; N270-F275 WeakPolarHBondContact CA-O 3.34Å; N270-F275 PolarHBondContact OD1-O 3.11Å; N270-F275 VanDerWaalsContact OD1-O 3.11Å; Y271-F275 AromaticContact CD1-CD2 3.8Å; Y271-F275 HydrophobicContact CD1-CD2 3.8Å; Y271-F275 AromaticContact CD1-CE2 3.89Å; Y271-F275 HydrophobicContact CD1-CE2 3.89Å; Y271-F275 HydrophobicContact CG-CD2 4.43Å; Y271-F275 WeakPolarHBondContact O-CD2 3.28Å; Y271-F275 PolarHBondContact O-N 3.42Å; F275-N277 VanDerWaalsContact CB-OD1 3.32Å; F275-N277 WeakPolarHBondContact CB-OD1 3.11Å
276D91.8Very high94.3Very high150 Ų15039 Ų3980%0.80221%0.209SC*.  trans-100.519.9174.3-74.6-33.1000112.2
277N96.4Very high94.2Very high6 Ų644.3 Ų44.33%0.03224%0.242CC..PPolyproline II helixtrans-68.2151.6-17772.2-70.3000113V249 V250 E251 A268 P269 N270 Y271 F275 P297V249-N277 HydrophobicContact CG1-CB 3.8Å; V250-N277 WeakPolarHBondContact O-CB 3.32Å; E251-N277 CarbonylContact O-C 3.53Å; E251-N277 VanDerWaalsContact O-CA 3.32Å; E251-N277 WeakPolarHBondContact O-CA 3.05Å; A268-N277 PolarHBondContact O-ND2 3.47Å; P269-N277 WeakPolarHBondContact CA-O 3.46Å; N270-N277 PolarHBondContact N-O 2.93Å; N270-N277 PolarHBondContact N-OD1 3.13Å; Y271-N277 WeakPolarHBondContact CB-OD1 3.12Å; Y271-N277 PolarHBondContact N-OD1 3.19Å; F275-N277 VanDerWaalsContact CB-OD1 3.32Å; F275-N277 WeakPolarHBondContact CB-OD1 3.11Å; N277-P297 VanDerWaalsContact O-CG 3.29Å; N277-P297 WeakPolarHBondContact O-CG 3.25Å
278A96.5Very high94Very high8 Ų846.6 Ų46.67%0.06625%0.253CS..PPolyproline II helixtrans-81.2166.2163.400000111.8E251 G253 I294E251-A278 PolarHBondContact O-N 2.74Å; G253-A278 VanDerWaalsContact CA-O 3.27Å; G253-A278 WeakPolarHBondContact CA-O 3.49Å; G253-A278 PolarHBondContact N-O 2.89Å; A278-I294 HydrophobicContact CB-CG2 3.49Å; A278-I294 VanDerWaalsContact CB-CG2 3.49Å
279G97.4Very high94Very high1 Ų152.1 Ų52.11%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-98.1141.9165.600000109.9F266 I294 L295F266-G279 CarbonylContact O-C 3.58Å; F266-G279 VanDerWaalsContact O-CA 3.25Å; F266-G279 WeakPolarHBondContact O-CA 3.23Å; G279-I294 CarbonylContact O-C 3.52Å; G279-I294 WeakPolarHBondContact O-CA 3.24Å; G279-L295 PolarHBondContact N-O 2.97Å; G279-L295 PolarHBondContact O-N 2.86Å
280G95.8Very high94.1Very high2 Ų254 Ų542%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-121.4150.6176.900000112.4G253 F266 S267G253-G280 WeakPolarHBondContact O-CA 3.33Å; F266-G280 PolarHBondContact O-N 3.38Å; S267-G280 PolarHBondContact OG-O 2.74Å
281M98.2Very high94.3Very high6 Ų655 Ų553%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-129143.816063.9169.268.800109.2K59 I60 L74 F292 Q293K59-M281 HydrophobicContact CD-SD 4.14Å; I60-M281 WeakPolarHBondContact O-CA 3.4Å; L74-M281 HydrophobicContact CB-CE 4.32Å; L74-M281 HydrophobicContact CD1-CE 4.33Å; L74-M281 HydrophobicContact CD2-CE 3.33Å; L74-M281 HydrophobicContact CG-CE 3.33Å; L74-M281 VanDerWaalsContact O-CE 3.28Å; L74-M281 WeakPolarHBondContact O-CE 3.31Å; M281-F292 WeakPolarHBondContact O-CA 3.45Å; M281-Q293 HydrophobicContact CG-CB 3.61Å; M281-Q293 HydrophobicContact CG-CG 4.27Å; M281-Q293 PolarHBondContact N-O 3.31Å; M281-Q293 PolarHBondContact O-N 3.19Å; M281-Q293 HydrophobicContact SD-CB 4.01Å; M281-Q293 HydrophobicContact SD-CG 4.3Å; M281-Q293 PolarHBondContact SD-OE1 2.98Å
282M98.8Very high94.5Very high0 Ų056.2 Ų56.20%031%0.309CS..EExtended strand (participates in β ladder)trans-100.2121.7173.5-173.1171.370.800109.4K59 I60 L242 C244 V263 L265 V284 C290 S291 F292K59-M282 CarbonylContact C-O 3.53Å; K59-M282 WeakPolarHBondContact CA-O 3.4Å; I60-M282 HydrophobicContact CD1-CE 3.76Å; I60-M282 HydrophobicContact CG1-CE 4.44Å; I60-M282 PolarHBondContact N-O 2.73Å; I60-M282 PolarHBondContact O-N 2.83Å; L242-M282 HydrophobicContact CD2-CE 4.19Å; L242-M282 HydrophobicContact CD2-SD 4.3Å; C244-M282 HydrophobicContact CB-CE 4.07Å; V263-M282 HydrophobicContact CG1-CE 4.39Å; V263-M282 HydrophobicContact CG1-SD 4.04Å; L265-M282 HydrophobicContact CD1-CB 3.77Å; L265-M282 HydrophobicContact CD2-CB 4.15Å; M282-V284 HydrophobicContact CE-CG2 3.93Å; M282-V284 HydrophobicContact CG-CG2 4.38Å; M282-C290 HydrophobicContact CG-CB 4.12Å; M282-C290 HydrophobicContact SD-CB 3.87Å; M282-S291 CarbonylContact C-O 3.51Å; M282-S291 WeakPolarHBondContact CA-O 3.02Å; M282-F292 HydrophobicContact CB-CD1 4.05Å; M282-F292 HydrophobicContact CB-CE1 3.88Å; M282-F292 HydrophobicContact CG-CD1 4.21Å; M282-F292 HydrophobicContact CG-CE1 3.77Å; M282-F292 HydrophobicContact CG-CZ 4.19Å; M282-F292 HydrophobicContact SD-CE1 3.8Å; M282-F292 HydrophobicContact SD-CZ 3.9Å
283S98.6Very high95.1Very high14 Ų1456 Ų5610%0.09830%0.303CS..EExtended strand (participates in β ladder)trans-92.4125.2168.5-61.30000109K59 C290 S291 Q293K59-S283 PolarHBondContact NZ-OG 3.32Å; S283-C290 WeakPolarHBondContact O-CA 3.21Å; S283-S291 PolarHBondContact N-O 3.44Å; S283-S291 PolarHBondContact O-N 2.89Å; S283-Q293 PolarHBondContact OG-OE1 3.24Å
284V98.6Very high95.8Very high3 Ų356.4 Ų56.42%0.01830%0.295CS..EExtended strand (participates in β ladder)trans-108.6119.7172.7-173.10000106.7A56 P57 L58 I60 I168 M282 L288A56-V284 HydrophobicContact CB-CG1 4.03Å; P57-V284 VanDerWaalsContact CA-O 3.25Å; P57-V284 WeakPolarHBondContact CA-O 3.34Å; L58-V284 HydrophobicContact CD2-CB 4.03Å; L58-V284 HydrophobicContact CD2-CG2 4.46Å; L58-V284 PolarHBondContact N-O 2.83Å; L58-V284 PolarHBondContact O-N 2.78Å; I60-V284 HydrophobicContact CD1-CG2 4.17Å; I168-V284 HydrophobicContact CD1-CG1 3.98Å; I168-V284 HydrophobicContact CD1-CG2 4.03Å; M282-V284 HydrophobicContact CE-CG2 3.93Å; M282-V284 HydrophobicContact CG-CG2 4.38Å; V284-L288 HydrophobicContact CG1-CD2 3.69Å
285D97.7Very high96.3Very high51 Ų5149.7 Ų49.727%0.27326%0.264SS..  trans-89.5175.6175.573.916.5000112.4A56 T287 L288 M289A56-D285 VanDerWaalsContact CB-O 3.23Å; A56-D285 WeakPolarHBondContact CB-O 3.33Å; D285-T287 PolarHBondContact O-N 3.37Å; D285-T287 WeakPolarHBondContact OD1-CA 3.43Å; D285-T287 WeakPolarHBondContact OD1-CB 3.33Å; D285-T287 PolarHBondContact OD1-N 2.85Å; D285-T287 PolarHBondContact OD1-OG1 2.98Å; D285-L288 WeakPolarHBondContact O-CA 3.4Å; D285-L288 PolarHBondContact O-N 3.37Å; D285-L288 PolarHBondContact OD1-N 3.4Å; D285-M289 PolarHBondContact N-O 3.49Å; D285-M289 WeakPolarHBondContact OD1-CB 3.47Å; D285-M289 PolarHBondContact OD1-N 3.08Å; D285-M289 WeakPolarHBondContact OD2-CB 3.29Å; D285-M289 WeakPolarHBondContact OD2-CE 3.4Å
286E96.2Very high96.5Very high161 Ų16152.8 Ų52.875%0.75228%0.277SS*.THydrogen-bonded Turntrans-58-15.4-179.6-65.6172.3-167.600114.1P57P57-E286 HydrophobicContact CB-CG 4.49Å; P57-E286 HydrophobicContact CG-CG 4.27Å
287T96.3Very high96.2Very high112 Ų11247.9 Ų47.969%0.68725%0.254SS*.THydrogen-bonded Turntrans-100.18.5176.9700000112.9D285 M289D285-T287 PolarHBondContact O-N 3.37Å; D285-T287 WeakPolarHBondContact OD1-CA 3.43Å; D285-T287 WeakPolarHBondContact OD1-CB 3.33Å; D285-T287 PolarHBondContact OD1-N 2.85Å; D285-T287 PolarHBondContact OD1-OG1 2.98Å; T287-M289 PolarHBondContact O-N 2.89Å
288L94.8Very high95.3Very high51 Ų5151.3 Ų51.327%0.26728%0.278SS..  trans61.418.7-171.4-61.9174.9000114.5A56 D165 K167 I168 V284 D285 C290A56-L288 HydrophobicContact CB-CD2 4.38Å; D165-L288 HydrophobicContact CB-CD1 4.1Å; D165-L288 HydrophobicContact CB-CD2 3.83Å; D165-L288 HydrophobicContact CB-CG 4.37Å; D165-L288 WeakPolarHBondContact OD2-CD2 3.25Å; K167-L288 HydrophobicContact CB-CD1 3.88Å; K167-L288 HydrophobicContact CG-CD1 3.88Å; I168-L288 HydrophobicContact CD1-CD2 4.37Å; V284-L288 HydrophobicContact CG1-CD2 3.69Å; D285-L288 WeakPolarHBondContact O-CA 3.4Å; D285-L288 PolarHBondContact O-N 3.37Å; D285-L288 PolarHBondContact OD1-N 3.4Å; L288-C290 PolarHBondContact O-N 3.28Å
289M97.4Very high93.8Very high117 Ų11759.7 Ų59.758%0.57632%0.316SS*.  trans-70.7117171.6-173.6177.256.800109.1D285 T287D285-M289 PolarHBondContact N-O 3.49Å; D285-M289 WeakPolarHBondContact OD1-CB 3.47Å; D285-M289 PolarHBondContact OD1-N 3.08Å; D285-M289 WeakPolarHBondContact OD2-CB 3.29Å; D285-M289 WeakPolarHBondContact OD2-CE 3.4Å; T287-M289 PolarHBondContact O-N 2.89Å
290C98.3Very high91.8Very high44 Ų4467.9 Ų67.930%0.29735%0.351SS..EExtended strand (participates in β ladder)trans-90.2124.7177.7-63.70000110.6M282 S283 L288M282-C290 HydrophobicContact CG-CB 4.12Å; M282-C290 HydrophobicContact SD-CB 3.87Å; S283-C290 WeakPolarHBondContact O-CA 3.21Å; L288-C290 PolarHBondContact O-N 3.28Å
291S98.1Very high89.2Confident58 Ų5876.1 Ų76.141%0.40639%0.387SS..EExtended strand (participates in β ladder)trans-128.315517361.60000110.8M282 S283M282-S291 CarbonylContact C-O 3.51Å; M282-S291 WeakPolarHBondContact CA-O 3.02Å; S283-S291 PolarHBondContact N-O 3.44Å; S283-S291 PolarHBondContact O-N 2.89Å
292F98.1Very high86.3Confident49 Ų4980.1 Ų80.122%0.21542%0.42CS..EExtended strand (participates in β ladder)trans-115.9130.8-174.6-58.8-87.4000111.1Y254 F256 V263 L265 M281 M282 I294Y254-F292 HydrophobicContact CD1-CB 4.15Å; Y254-F292 HydrophobicContact CD1-CD1 4.12Å; Y254-F292 HydrophobicContact CD1-CG 4.08Å; Y254-F292 AromaticContact CD2-CD1 3.77Å; Y254-F292 HydrophobicContact CD2-CD1 3.77Å; Y254-F292 HydrophobicContact CD2-CD2 4.01Å; Y254-F292 AromaticContact CD2-CE1 3.69Å; Y254-F292 HydrophobicContact CD2-CE1 3.69Å; Y254-F292 AromaticContact CD2-CE2 3.96Å; Y254-F292 HydrophobicContact CD2-CE2 3.96Å; Y254-F292 AromaticContact CD2-CG 3.93Å; Y254-F292 HydrophobicContact CD2-CG 3.93Å; Y254-F292 AromaticContact CD2-CZ 3.8Å; Y254-F292 HydrophobicContact CD2-CZ 3.8Å; Y254-F292 HydrophobicContact CE1-CB 4.16Å; Y254-F292 HydrophobicContact CE1-CG 4.22Å; Y254-F292 HydrophobicContact CE2-CD1 4.39Å; Y254-F292 AromaticContact CE2-CD2 3.83Å; Y254-F292 HydrophobicContact CE2-CD2 3.83Å; Y254-F292 HydrophobicContact CE2-CE1 4.45Å; Y254-F292 AromaticContact CE2-CE2 3.91Å; Y254-F292 HydrophobicContact CE2-CE2 3.91Å; Y254-F292 HydrophobicContact CE2-CG 4.09Å; Y254-F292 HydrophobicContact CE2-CZ 4.23Å; Y254-F292 HydrophobicContact CG-CB 4.47Å; Y254-F292 AromaticContact CG-CD1 3.6Å; Y254-F292 HydrophobicContact CG-CD1 3.6Å; Y254-F292 HydrophobicContact CG-CD2 4.45Å; Y254-F292 AromaticContact CG-CE1 3.9Å; Y254-F292 HydrophobicContact CG-CE1 3.9Å; Y254-F292 AromaticContact CG-CG 3.91Å; Y254-F292 HydrophobicContact CG-CG 3.91Å; Y254-F292 HydrophobicContact CG-CZ 4.46Å; F256-F292 HydrophobicContact CE1-CZ 4.25Å; F256-F292 AromaticContact CE2-CE2 3.8Å; F256-F292 HydrophobicContact CE2-CE2 3.8Å; F256-F292 HydrophobicContact CE2-CZ 4.01Å; F256-F292 AromaticContact CZ-CE2 3.61Å; F256-F292 HydrophobicContact CZ-CE2 3.61Å; F256-F292 AromaticContact CZ-CZ 3.55Å; F256-F292 HydrophobicContact CZ-CZ 3.55Å; V263-F292 HydrophobicContact CG2-CE1 3.84Å; V263-F292 HydrophobicContact CG2-CZ 3.96Å; L265-F292 HydrophobicContact CD2-CD1 4.09Å; L265-F292 HydrophobicContact CD2-CE1 3.88Å; M281-F292 WeakPolarHBondContact O-CA 3.45Å; M282-F292 HydrophobicContact CB-CD1 4.05Å; M282-F292 HydrophobicContact CB-CE1 3.88Å; M282-F292 HydrophobicContact CG-CD1 4.21Å; M282-F292 HydrophobicContact CG-CE1 3.77Å; M282-F292 HydrophobicContact CG-CZ 4.19Å; M282-F292 HydrophobicContact SD-CE1 3.8Å; M282-F292 HydrophobicContact SD-CZ 3.9Å; F292-I294 HydrophobicContact CB-CD1 3.94Å
293Q96.7Very high83.4Confident45 Ų4589.5 Ų89.521%0.2146%0.461CS..EExtended strand (participates in β ladder)trans-107119.4170.2-54.6177-96.400108.6Y77 M281 S283Y77-Q293 HydrophobicContact CD1-CB 3.96Å; Y77-Q293 HydrophobicContact CE1-CB 3.99Å; Y77-Q293 PolarHBondContact O-NE2 3.45Å; Y77-Q293 VanDerWaalsContact O-NE2 3.1Å; M281-Q293 HydrophobicContact CG-CB 3.61Å; M281-Q293 HydrophobicContact CG-CG 4.27Å; M281-Q293 PolarHBondContact N-O 3.31Å; M281-Q293 PolarHBondContact O-N 3.19Å; M281-Q293 HydrophobicContact SD-CB 4.01Å; M281-Q293 HydrophobicContact SD-CG 4.3Å; M281-Q293 PolarHBondContact SD-OE1 2.98Å; S283-Q293 PolarHBondContact OG-OE1 3.24Å
294I96.7Very high80.5Confident51 Ų5198.7 Ų98.726%0.26250%0.495SS..EExtended strand (participates in β ladder)trans-104.1121-172.2-50.6-48.9000110.6D252 Y254 A278 G279 F292D252-I294 WeakPolarHBondContact O-CD1 3.15Å; D252-I294 WeakPolarHBondContact O-CG2 3.37Å; Y254-I294 HydrophobicContact CD1-CD1 3.53Å; Y254-I294 HydrophobicContact CE1-CD1 3.79Å; Y254-I294 HydrophobicContact CE1-CG1 4.41Å; A278-I294 HydrophobicContact CB-CG2 3.49Å; A278-I294 VanDerWaalsContact CB-CG2 3.49Å; G279-I294 CarbonylContact O-C 3.52Å; G279-I294 WeakPolarHBondContact O-CA 3.24Å; F292-I294 HydrophobicContact CB-CD1 3.94Å
295L92.4Very high77.2Confident23 Ų23107.7 Ų107.712%0.1254%0.537CS..EExtended strand (participates in β ladder)trans-92.298.1172.3-170.967.5000109.6D70 R73 P269 G279D70-L295 HydrophobicContact CB-CD2 4.33Å; R73-L295 HydrophobicContact CB-CD1 4.11Å; R73-L295 HydrophobicContact CB-CD2 3.99Å; P269-L295 HydrophobicContact CG-CD2 4.05Å; P269-L295 HydrophobicContact CG-CG 4.41Å; G279-L295 PolarHBondContact N-O 2.97Å; G279-L295 PolarHBondContact O-N 2.86Å
296K91.1Very high74.2Confident156 Ų156116 Ų11668%0.67857%0.566SS**PPolyproline II helixtrans-64.8150.4173.5-66.3-171.1177.8-172.50111.3R73 S298R73-K296 PolarHBondContact NH2-O 3.31Å; K296-S298 PolarHBondContact O-N 3.39Å
297P86.5Confident71.4Confident47 Ų47112 Ų11231%0.30557%0.568SS.*PPolyproline II helixtrans-48.1138.5171.3-28.836.6000110.9P269 N270 N277 E299P269-P297 HydrophobicContact CB-CG 4.36Å; N270-P297 HydrophobicContact CB-CB 3.86Å; N270-P297 HydrophobicContact CB-CG 3.97Å; N277-P297 VanDerWaalsContact O-CG 3.29Å; N277-P297 WeakPolarHBondContact O-CG 3.25Å; P297-E299 PolarHBondContact O-N 3.41Å
298S76.7Confident68.4Low78 Ų78108.7 Ų108.755%0.54556%0.556SS.*PPolyproline II helixtrans-62.7129.1171.6540000108.3K296 K300K296-S298 PolarHBondContact O-N 3.39Å; S298-K300 PolarHBondContact O-N 3.1Å
299E65.3Low65.6Low185 Ų185114.9 Ų114.986%0.86459%0.586SS**PPolyproline II helixtrans-53.4122.9172.1-71.1-175175.800107.4P297 K301P297-E299 PolarHBondContact O-N 3.41Å; E299-K301 PolarHBondContact O-N 3.09Å
300K55.6Low62.7Low173 Ų173116.7 Ų116.775%0.75260%0.598SS**  trans-57.196.4165.9-74.1174.7-177.4161.60104.6S298 A302S298-K300 PolarHBondContact O-N 3.1Å; K300-A302 PolarHBondContact O-N 3.02Å
301K42.1Very low60.2Low175 Ų175119.8 Ų119.876%0.76162%0.62SS**  trans-45.6115.9166.7-88.7-170.5176.9-179.50104.3E299 K303E299-K301 PolarHBondContact O-N 3.09Å; K301-K303 PolarHBondContact O-N 2.88Å
302A36.8Very low58Low89 Ų89120.4 Ų120.474%0.73664%0.636SS**  trans-38.6128-174.400000107.5K300 Y304K300-A302 PolarHBondContact O-N 3.02Å; A302-Y304 PolarHBondContact O-N 3.2Å
303K38.1Very low55.2Low197 Ų197128.6 Ų128.686%0.85767%0.665SS**  trans-23.5110.1173.1-72.9175.7178175.70107.2K301 Q305K301-K303 PolarHBondContact O-N 2.88Å; K303-Q305 VanDerWaalsContact C-N 3.33Å; K303-Q305 PolarHBondContact O-N 3.46Å
304Y37.1Very low52.4Low208 Ų208132.6 Ų132.682%0.81670%0.695SS**  trans-40109176.7-83.5-92.5000105.7A302 Y306A302-Y304 PolarHBondContact O-N 3.2Å; Y304-Y306 PolarHBondContact O-N 2.94Å
305Q30.3Very low50Low192 Ų192136.7 Ų136.790%0.89772%0.722SS**  trans-58108.3173.1-96.5-176.3-16.500102K303 G307K303-Q305 VanDerWaalsContact C-N 3.33Å; K303-Q305 PolarHBondContact O-N 3.46Å; Q305-G307 PolarHBondContact O-N 2.8Å
306Y34.2Very low47.5Very low224 Ų224141.5 Ų141.588%0.87875%0.753SS**  trans-58.3100172.5-153.2-91.7000103.2Y304 G308Y304-Y306 PolarHBondContact O-N 2.94Å; Y306-G308 PolarHBondContact O-N 3.19Å
307G36.7Very low45Very low78 Ų78139.4 Ų139.480%0.80476%0.755SS**  trans-67.264.1164.600000106.7Q305 M309Q305-G307 PolarHBondContact O-N 2.8Å; G307-M309 PolarHBondContact O-N 3.08Å; G307-M309 VanDerWaalsContact O-N 3.08Å
308G33.8Very low42.7Very low42 Ų42142.7 Ų142.743%0.43378%0.776SS.*  trans-64.4108.8167.800000105.5Y306 N310Y306-G308 PolarHBondContact O-N 3.19Å; G308-N310 PolarHBondContact O-N 2.95Å
309M36.6Very low41Very low181 Ų181151.3 Ų151.389%0.89280%0.797SS**  trans-48.197.3154.6-92.2156.9160.200107.6G307 S311G307-M309 PolarHBondContact O-N 3.08Å; G307-M309 VanDerWaalsContact O-N 3.08Å; M309-S311 PolarHBondContact O-N 3.03Å
310N35.4Very low39.6Very low156 Ų156149 Ų14983%0.83480%0.796SS**  trans-8465.8173.7-141.317.5000107.1G308G308-N310 PolarHBondContact O-N 2.95Å
311S46.8Very low38.9Very low108 Ų108145.1 Ų145.176%0.75580%0.796SS**  trans-95.299.8166.554.30000108.2M309M309-S311 PolarHBondContact O-N 3.03Å
312G50.5Low39.1Very low71 Ų71145.6 Ų145.673%0.73280%0.801SS**  trans106.380.7161.200000115.7
313R39.7Very low39.7Very low221 Ų221146.9 Ų146.983%0.83480%0.802SS**  trans-123.2132.1143.1-81.5-172176.2-176.2-0.2108.9V315R313-V315 PolarHBondContact O-N 3.47Å
314P38.6Very low39.9Very low129 Ų129143.6 Ų143.684%0.83880%0.8SS**PPolyproline II helixtrans-65.5134.4176.7-6.719.4000109.9
315V44.7Very low40.2Very low138 Ų138142.9 Ų142.984%0.83680%0.802SS**PPolyproline II helixtrans-74.7124.7175.6-178.30000108.8R313R313-V315 PolarHBondContact O-N 3.47Å
316T40.4Very low40.8Very low124 Ų124142.9 Ų142.976%0.76180%0.799SS**PPolyproline II helixtrans-65.1131.3171.6-29.90000109.5
317P38.3Very low41.1Very low111 Ų111147.1 Ų147.172%0.72181%0.813SS**PPolyproline II helixtrans-71.6147.5-176.61.39.3000111.9
318P39.3Very low41.3Very low117 Ų117150.6 Ų150.676%0.7681%0.813SS**PPolyproline II helixtrans-70.8140.7179.528.2-32.8000111.8T320P318-T320 PolarHBondContact O-N 3.24Å
319R40.6Very low41.7Very low258 Ų258156.3 Ų156.397%0.97483%0.834SS**  trans-76.6101.3-178.5-153.3178.8-170.9-174.92.6109.5
320T36.3Very low42Very low137 Ų137154.9 Ų154.984%0.8483%0.83SS**  trans-86.6150.4170.7450000112.4P318P318-T320 PolarHBondContact O-N 3.24Å
321A40Very low42.4Very low92 Ų92154.8 Ų154.876%0.7683%0.83SS**  trans-72.5154.5-163.700000116.2
322Q45.9Very low42.1Very low184 Ų184157.8 Ų157.886%0.8684%0.835SS**  trans34.2135.2155.8-68.9-174.7-1.900121.4
323P49.3Very low41.5Very low117 Ų117163.5 Ų163.576%0.7684%0.842SS**PPolyproline II helixtrans-80.5147.3174.534.2-32.1000111.7
324P44.3Very low41.7Very low127 Ų127159.4 Ų159.483%0.82584%0.842SS**PPolyproline II helixtrans-76.8140.616632.2-29.9000110.2
325K43.3Very low41.9Very low193 Ų193161.8 Ų161.884%0.83984%0.842SS**PPolyproline II helixtrans-66.1162.1170.5-77.3177.6168174.90112.2
326K41.5Very low41.7Very low193 Ų193163.8 Ų163.884%0.83984%0.843SS**  trans96.7135.7158.6-58.3-176.7178.9177.90113.1
327R40.4Very low41.8Very low312 Ų312167.4 Ų167.4100%1.17785%0.85SS**  cis-155.9037.8-143.9169.1-169.9-172.32.1111.9

Retrieved 327 of 327 residues in 2961.9 ms (Link to these results)

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