A0A077YZL4_TRITR Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A077YZL4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 115 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
1M41.8Very low45Very low192 Ų192111.8 Ų111.895%0.94660%0.598SS**  0-65.60-80.5-160-89.200114.2E4 L5M1-E4 PolarHBondContact N-OE2 2.92Å; M1-L5 PolarHBondContact O-N 3.46Å
2A32.5Very low48.5Very low77 Ų77108.9 Ų108.964%0.63658%0.578SS**Hα-helixtrans-71.4-41.2177.800000113L5 V6A2-L5 PolarHBondContact O-N 2.73Å; A2-V6 WeakPolarHBondContact O-CG2 3.4Å; A2-V6 PolarHBondContact O-N 3.06Å; A2-V6 VanDerWaalsContact O-N 3.17Å
3D35.5Very low51.8Low142 Ų142107.5 Ų107.576%0.75957%0.571SS**Hα-helixtrans-69.3-34.8179.9-65-40.1000113.2L5 V6 A7D3-L5 VanDerWaalsContact C-N 3.35Å; D3-V6 PolarHBondContact O-N 2.69Å; D3-A7 WeakPolarHBondContact O-CB 3.46Å; D3-A7 PolarHBondContact O-N 3.46Å
4E33.3Very low54.7Low132 Ų132103.7 Ų103.762%0.61756%0.562SS**Hα-helixtrans-66.2-35172.6-79.4164.3129.100112.3M1 T8M1-E4 PolarHBondContact N-OE2 2.92Å; E4-T8 WeakPolarHBondContact O-CB 3.28Å; E4-T8 WeakPolarHBondContact O-CG2 3.38Å; E4-T8 PolarHBondContact O-N 3.49Å; E4-T8 PolarHBondContact O-OG1 3.3Å
5L30.8Very low57.3Low117 Ų11798.1 Ų98.161%0.61353%0.531SS*.Hα-helixtrans-70.6-34177.6-131.287.8000112.1M1 A2 D3 T8 N9M1-L5 PolarHBondContact O-N 3.46Å; A2-L5 PolarHBondContact O-N 2.73Å; D3-L5 VanDerWaalsContact C-N 3.35Å; L5-T8 VanDerWaalsContact CA-OG1 3.28Å; L5-T8 WeakPolarHBondContact CA-OG1 3.44Å; L5-T8 PolarHBondContact O-OG1 3.44Å; L5-N9 WeakPolarHBondContact O-CB 3.5Å; L5-N9 PolarHBondContact O-N 3.23Å; L5-N9 PolarHBondContact O-ND2 3.41Å
6V39Very low59.7Low70 Ų70100 Ų10042%0.42453%0.533SS..Hα-helixtrans-76.7-38.3176.2177.40000111A2 D3 N9 R10A2-V6 WeakPolarHBondContact O-CG2 3.4Å; A2-V6 PolarHBondContact O-N 3.06Å; A2-V6 VanDerWaalsContact O-N 3.17Å; D3-V6 PolarHBondContact O-N 2.69Å; V6-N9 PolarHBondContact O-N 2.71Å; V6-R10 WeakPolarHBondContact O-CG 3.45Å; V6-R10 PolarHBondContact O-N 2.6Å
7A42.3Very low61.7Low47 Ų47103 Ų10339%0.38854%0.541SS..Hα-helixtrans-62-48.7173.300000111.3D3 N9 R10 D11D3-A7 WeakPolarHBondContact O-CB 3.46Å; D3-A7 PolarHBondContact O-N 3.46Å; A7-N9 VanDerWaalsContact C-N 3.33Å; A7-N9 PolarHBondContact O-N 3.21Å; A7-R10 PolarHBondContact O-N 3.07Å; A7-D11 WeakPolarHBondContact O-CB 3.44Å; A7-D11 PolarHBondContact O-N 2.69Å
8T50.8Low63.6Low74 Ų7498.7 Ų98.745%0.45452%0.518SS..Hα-helixtrans-60.2-38.4176.844.30000112.9E4 L5 Q12E4-T8 WeakPolarHBondContact O-CB 3.28Å; E4-T8 WeakPolarHBondContact O-CG2 3.38Å; E4-T8 PolarHBondContact O-N 3.49Å; E4-T8 PolarHBondContact O-OG1 3.3Å; L5-T8 VanDerWaalsContact CA-OG1 3.28Å; L5-T8 WeakPolarHBondContact CA-OG1 3.44Å; L5-T8 PolarHBondContact O-OG1 3.44Å; T8-Q12 VanDerWaalsContact O-CG 3.28Å; T8-Q12 WeakPolarHBondContact O-CG 3.41Å; T8-Q12 PolarHBondContact O-N 2.92Å; T8-Q12 VanDerWaalsContact O-N 3.11Å
9N50.8Low65.3Low102 Ų10293.9 Ų93.955%0.54549%0.494SS..Hα-helixtrans-69.4-40.1175-81-30.1000113.2L5 V6 A7 D11 Q12 D13L5-N9 WeakPolarHBondContact O-CB 3.5Å; L5-N9 PolarHBondContact O-N 3.23Å; L5-N9 PolarHBondContact O-ND2 3.41Å; V6-N9 PolarHBondContact O-N 2.71Å; A7-N9 VanDerWaalsContact C-N 3.33Å; A7-N9 PolarHBondContact O-N 3.21Å; N9-D11 VanDerWaalsContact C-N 3.34Å; N9-Q12 PolarHBondContact O-N 2.97Å; N9-D13 PolarHBondContact O-N 3.08Å; N9-D13 VanDerWaalsContact O-N 3.16Å
10R58.5Low66.9Low181 Ų18196.7 Ų96.768%0.68350%0.504SS*.Hα-helixtrans-65.4-40176.4-76.1-179.9-174.1-177.94111.7V6 A7 Q12 D13 A14V6-R10 WeakPolarHBondContact O-CG 3.45Å; V6-R10 PolarHBondContact O-N 2.6Å; A7-R10 PolarHBondContact O-N 3.07Å; R10-Q12 VanDerWaalsContact C-N 3.31Å; R10-Q12 PolarHBondContact O-N 3Å; R10-D13 PolarHBondContact O-N 3.34Å; R10-A14 WeakPolarHBondContact O-CB 3.1Å; R10-A14 PolarHBondContact O-N 2.99Å
11D80.1Confident68.2Low96 Ų9697.2 Ų97.251%0.51350%0.502SS..Hα-helixtrans-61.9-43175.6-72.9-22.2000110.3A7 N9 D13 A14 L15A7-D11 WeakPolarHBondContact O-CB 3.44Å; A7-D11 PolarHBondContact O-N 2.69Å; N9-D11 VanDerWaalsContact C-N 3.34Å; D11-D13 PolarHBondContact O-N 3.05Å; D11-A14 PolarHBondContact O-N 3.46Å; D11-L15 WeakPolarHBondContact O-CB 3.31Å; D11-L15 WeakPolarHBondContact O-CG 3.48Å; D11-L15 PolarHBondContact O-N 3.41Å
12Q87.2Confident70.7Confident77 Ų7788.4 Ų88.436%0.3646%0.459SS..Hα-helixtrans-61.9-41.4177.4-71.9-62.2-50.600113.2T8 N9 R10 L15 K16T8-Q12 VanDerWaalsContact O-CG 3.28Å; T8-Q12 WeakPolarHBondContact O-CG 3.41Å; T8-Q12 PolarHBondContact O-N 2.92Å; T8-Q12 VanDerWaalsContact O-N 3.11Å; N9-Q12 PolarHBondContact O-N 2.97Å; R10-Q12 VanDerWaalsContact C-N 3.31Å; R10-Q12 PolarHBondContact O-N 3Å; Q12-L15 PolarHBondContact O-N 2.93Å; Q12-K16 VanDerWaalsContact O-CG 3.3Å; Q12-K16 WeakPolarHBondContact O-CG 3.34Å; Q12-K16 PolarHBondContact O-N 3.33Å
13D90.5Very high73.6Confident91 Ų9185.7 Ų85.749%0.48744%0.439SS..Hα-helixtrans-69.3-37.1176.7-77.9-18.3000112.5N9 R10 D11 K16 K17N9-D13 PolarHBondContact O-N 3.08Å; N9-D13 VanDerWaalsContact O-N 3.16Å; R10-D13 PolarHBondContact O-N 3.34Å; D11-D13 PolarHBondContact O-N 3.05Å; D13-K16 PolarHBondContact O-N 2.91Å; D13-K16 IonicContact OD1-NZ 2.68Å; D13-K17 WeakPolarHBondContact O-CG 3.49Å; D13-K17 PolarHBondContact O-N 2.84Å
14A92.5Very high76.3Confident54 Ų5483.7 Ų83.745%0.44644%0.436SS..Hα-helixtrans-63.6-45.5173.600000111.4R10 D11 K16 K17 L18R10-A14 WeakPolarHBondContact O-CB 3.1Å; R10-A14 PolarHBondContact O-N 2.99Å; D11-A14 PolarHBondContact O-N 3.46Å; A14-K16 VanDerWaalsContact C-N 3.33Å; A14-K16 PolarHBondContact O-N 2.91Å; A14-K17 PolarHBondContact O-N 2.62Å; A14-L18 WeakPolarHBondContact O-CB 3.49Å; A14-L18 PolarHBondContact O-N 2.92Å
15L94.8Very high79Confident19 Ų1982.8 Ų82.810%0.09944%0.44CS..Hα-helixtrans-63.2-37.9177.1-67.6172.8000111.9D11 Q12 L18 A19 I33 M34 C36D11-L15 WeakPolarHBondContact O-CB 3.31Å; D11-L15 WeakPolarHBondContact O-CG 3.48Å; D11-L15 PolarHBondContact O-N 3.41Å; Q12-L15 PolarHBondContact O-N 2.93Å; L15-L18 PolarHBondContact O-N 2.97Å; L15-A19 VanDerWaalsContact O-CB 3.23Å; L15-A19 WeakPolarHBondContact O-CB 3.36Å; L15-A19 PolarHBondContact O-N 3.33Å; L15-I33 HydrophobicContact CD2-CG2 3.77Å; L15-M34 WeakPolarHBondContact CD1-O 3.44Å; L15-C36 HydrophobicContact CD2-CB 3.59Å
16K94.9Very high82Confident129 Ų12978.9 Ų78.956%0.56142%0.419SS*.Hα-helixtrans-63.7-44.9172.9-75.8172.3-170.2164.90112.2Q12 D13 A14 L18 A19 Q20Q12-K16 VanDerWaalsContact O-CG 3.3Å; Q12-K16 WeakPolarHBondContact O-CG 3.34Å; Q12-K16 PolarHBondContact O-N 3.33Å; D13-K16 PolarHBondContact O-N 2.91Å; D13-K16 IonicContact OD1-NZ 2.68Å; A14-K16 VanDerWaalsContact C-N 3.33Å; A14-K16 PolarHBondContact O-N 2.91Å; K16-L18 VanDerWaalsContact C-N 3.35Å; K16-A19 PolarHBondContact O-N 3.36Å; K16-Q20 WeakPolarHBondContact O-CB 3.45Å; K16-Q20 PolarHBondContact O-N 2.92Å
17K94.6Very high84.6Confident151 Ų15176.2 Ų76.266%0.65740%0.403SS*.Hα-helixtrans-62.8-42.8176.6-74.8176.6-176.91770111.5D13 A14 Q20 K21D13-K17 WeakPolarHBondContact O-CG 3.49Å; D13-K17 PolarHBondContact O-N 2.84Å; A14-K17 PolarHBondContact O-N 2.62Å; K17-Q20 PolarHBondContact O-N 3.33Å; K17-K21 WeakPolarHBondContact O-CB 3.19Å; K17-K21 PolarHBondContact O-N 3.47Å
18L94.8Very high87.1Confident25 Ų2584.3 Ų84.313%0.13143%0.429CS..Hα-helixtrans-61.7-48.2175.1-178.161.6000110.9A14 L15 K16 Q20 K21 L22 I33 E40 I43A14-L18 WeakPolarHBondContact O-CB 3.49Å; A14-L18 PolarHBondContact O-N 2.92Å; L15-L18 PolarHBondContact O-N 2.97Å; K16-L18 VanDerWaalsContact C-N 3.35Å; L18-Q20 VanDerWaalsContact C-N 3.29Å; L18-Q20 PolarHBondContact O-N 3.39Å; L18-K21 PolarHBondContact O-N 3Å; L18-L22 HydrophobicContact CD1-CD1 3.93Å; L18-L22 HydrophobicContact CD1-CD2 4.49Å; L18-L22 HydrophobicContact CD1-CG 4.03Å; L18-L22 HydrophobicContact CG-CD1 4.03Å; L18-L22 HydrophobicContact CG-CG 4.42Å; L18-L22 WeakPolarHBondContact O-CG 3.31Å; L18-L22 PolarHBondContact O-N 3.13Å; L18-I33 HydrophobicContact CB-CD1 4.31Å; L18-I33 HydrophobicContact CD2-CD1 3.93Å; L18-I33 HydrophobicContact CG-CD1 3.79Å; L18-E40 HydrophobicContact CD1-CG 4.16Å; L18-I43 HydrophobicContact CD2-CG2 4.26Å
19A96.5Very high89.3Confident8 Ų883.4 Ų83.47%0.06642%0.419CS..Hα-helixtrans-59.5-39.4176.500000112.1L15 K16 G23 L31 I33L15-A19 VanDerWaalsContact O-CB 3.23Å; L15-A19 WeakPolarHBondContact O-CB 3.36Å; L15-A19 PolarHBondContact O-N 3.33Å; K16-A19 PolarHBondContact O-N 3.36Å; A19-G23 WeakPolarHBondContact O-CA 3.38Å; A19-G23 PolarHBondContact O-N 2.63Å; A19-L31 HydrophobicContact CB-CG 4.33Å; A19-I33 HydrophobicContact CB-CB 4.32Å; A19-I33 HydrophobicContact CB-CD1 4.04Å; A19-I33 HydrophobicContact CB-CG1 3.88Å
20Q96Very high91.5Very high149 Ų14986.1 Ų86.170%0.69643%0.426SS*.Hα-helixtrans-66-46.7175.9-172.7178.810.800111.8K16 K17 L18 S24K16-Q20 WeakPolarHBondContact O-CB 3.45Å; K16-Q20 PolarHBondContact O-N 2.92Å; K17-Q20 PolarHBondContact O-N 3.33Å; L18-Q20 VanDerWaalsContact C-N 3.29Å; L18-Q20 PolarHBondContact O-N 3.39Å; Q20-S24 PolarHBondContact O-N 3.09Å; Q20-S24 PolarHBondContact O-OG 3.3Å
21K95.2Very high93.3Very high108 Ų10878.3 Ų78.347%0.4740%0.398SS..Hα-helixtrans-59.3-49.1178.1176.5-172.8173.5-173.60111.8K17 L18 S24 T25 E40K17-K21 WeakPolarHBondContact O-CB 3.19Å; K17-K21 PolarHBondContact O-N 3.47Å; L18-K21 PolarHBondContact O-N 3Å; K21-S24 PolarHBondContact O-OG 2.82Å; K21-S24 VanDerWaalsContact O-OG 3.08Å; K21-T25 PolarHBondContact O-OG1 3.14Å; K21-E40 IonicContact NZ-OE1 3.05Å; K21-E40 IonicContact NZ-OE2 2.69Å; K21-E40 PolarHBondContact NZ-OE2 2.9Å
22L95.2Very high94.2Very high8 Ų876.1 Ų76.14%0.04239%0.388CS..Hα-helixtrans-71.5-43.8-179.5-61.7-177.3000111L18 S24 T25 I26 L31 I33 I43 T44L18-L22 HydrophobicContact CD1-CD1 3.93Å; L18-L22 HydrophobicContact CD1-CD2 4.49Å; L18-L22 HydrophobicContact CD1-CG 4.03Å; L18-L22 HydrophobicContact CG-CD1 4.03Å; L18-L22 HydrophobicContact CG-CG 4.42Å; L18-L22 WeakPolarHBondContact O-CG 3.31Å; L18-L22 PolarHBondContact O-N 3.13Å; L22-S24 VanDerWaalsContact C-N 3.27Å; L22-S24 PolarHBondContact O-N 3.1Å; L22-T25 PolarHBondContact O-N 3.29Å; L22-T25 VanDerWaalsContact O-N 3.09Å; L22-I26 HydrophobicContact CB-CD1 4Å; L22-I26 HydrophobicContact CD2-CD1 3.97Å; L22-I26 HydrophobicContact CG-CD1 4.47Å; L22-I26 WeakPolarHBondContact O-CB 3.26Å; L22-I26 WeakPolarHBondContact O-CG1 3.26Å; L22-I26 PolarHBondContact O-N 2.64Å; L22-L31 HydrophobicContact CB-CD2 3.86Å; L22-I33 HydrophobicContact CD1-CD1 4.13Å; L22-I43 HydrophobicContact CD1-CG1 4.21Å; L22-I43 HydrophobicContact CD1-CG2 4Å; L22-T44 VanDerWaalsContact CD2-OG1 3.26Å; L22-T44 WeakPolarHBondContact CD2-OG1 3.47Å
23G92.4Very high94.6Very high20 Ų2072.7 Ų72.721%0.20637%0.372CS..Hα-helixtrans-62.7-27.7178.700000113.9A19 T25A19-G23 WeakPolarHBondContact O-CA 3.38Å; A19-G23 PolarHBondContact O-N 2.63Å; G23-T25 VanDerWaalsContact C-N 3.35Å
24S91.6Very high94.8Very high99 Ų9971.9 Ų71.969%0.69237%0.366SS*.Hα-helixtrans-79.4-18.4175.165.80000113.9Q20 K21 L22Q20-S24 PolarHBondContact O-N 3.09Å; Q20-S24 PolarHBondContact O-OG 3.3Å; K21-S24 PolarHBondContact O-OG 2.82Å; K21-S24 VanDerWaalsContact O-OG 3.08Å; L22-S24 VanDerWaalsContact C-N 3.27Å; L22-S24 PolarHBondContact O-N 3.1Å
25T91.2Very high94.9Very high114 Ų11472.6 Ų72.670%0.69937%0.365SS*.Hα-helixtrans-108.7-35.6-169.6-48.20000112.6K21 L22 G23K21-T25 PolarHBondContact O-OG1 3.14Å; L22-T25 PolarHBondContact O-N 3.29Å; L22-T25 VanDerWaalsContact O-N 3.09Å; G23-T25 VanDerWaalsContact C-N 3.35Å
26I93.7Very high94.9Very high35 Ų3573.2 Ų73.218%0.17937%0.37CS..THydrogen-bonded Turntrans-102.2-38.8-166.3-57.5173.8000112.3L22 T44 V47 Q48L22-I26 HydrophobicContact CB-CD1 4Å; L22-I26 HydrophobicContact CD2-CD1 3.97Å; L22-I26 HydrophobicContact CG-CD1 4.47Å; L22-I26 WeakPolarHBondContact O-CB 3.26Å; L22-I26 WeakPolarHBondContact O-CG1 3.26Å; L22-I26 PolarHBondContact O-N 2.64Å; I26-T44 HydrophobicContact CD1-CG2 3.61Å; I26-V47 HydrophobicContact CB-CG1 4.46Å; I26-V47 HydrophobicContact CD1-CB 4.49Å; I26-V47 HydrophobicContact CD1-CG1 4.33Å; I26-V47 HydrophobicContact CG2-CG1 4.12Å; I26-Q48 HydrophobicContact CG2-CB 3.77Å; I26-Q48 HydrophobicContact CG2-CG 4.13Å
27T93.7Very high94.9Very high13 Ų1370 Ų708%0.0836%0.359CS..  trans-141.5148.7-165.5177.80000111.3K29 V47 D51 L103T27-K29 VanDerWaalsContact C-N 3.34Å; T27-K29 WeakPolarHBondContact OG1-CB 3.5Å; T27-K29 PolarHBondContact OG1-N 2.81Å; T27-V47 HydrophobicContact CG2-CG1 4.36Å; T27-D51 WeakPolarHBondContact CB-OD1 3.37Å; T27-D51 VanDerWaalsContact OG1-CG 3.25Å; T27-D51 PolarHBondContact OG1-OD1 3.43Å; T27-L103 HydrophobicContact CG2-CD1 3.74Å
28K93.9Very high95Very high217 Ų21763.8 Ų63.894%0.94333%0.333SS*.SBendtrans-86.6-10.2169.1-63-178.7-176.9176.40112.5
29K96.5Very high95.1Very high55 Ų5565.5 Ų65.524%0.23935%0.347CS..SBendtrans-82.5147.3-177.2-54.3178.3-175.288.70108.7T27 L31 D51 L54 D55 L103T27-K29 VanDerWaalsContact C-N 3.34Å; T27-K29 WeakPolarHBondContact OG1-CB 3.5Å; T27-K29 PolarHBondContact OG1-N 2.81Å; K29-L31 PolarHBondContact O-N 2.92Å; K29-L31 VanDerWaalsContact O-N 3.14Å; K29-D51 WeakPolarHBondContact CD-OD1 3.3Å; K29-D51 PolarHBondContact NZ-O 3.11Å; K29-D51 IonicContact NZ-OD1 3.79Å; K29-D51 PolarHBondContact NZ-OD1 2.93Å; K29-D51 IonicContact NZ-OD2 3.05Å; K29-L54 HydrophobicContact CD-CB 4.43Å; K29-L54 HydrophobicContact CD-CD1 3.81Å; K29-D55 VanDerWaalsContact CE-OD1 3.28Å; K29-D55 WeakPolarHBondContact CE-OD1 3.32Å; K29-D55 IonicContact NZ-OD1 3.84Å; K29-D55 PolarHBondContact NZ-OD1 2.98Å; K29-D55 IonicContact NZ-OD2 2.69Å; K29-D55 PolarHBondContact NZ-OD2 3.41Å; K29-L103 HydrophobicContact CB-CD1 3.7Å; K29-L103 HydrophobicContact CB-CG 4.07Å; K29-L103 HydrophobicContact CD-CG 4.33Å
30K97.1Very high95Very high159 Ų15970.4 Ų70.469%0.69137%0.368SS*.PPolyproline II helixtrans-62118.2177.1-177.1-176.9178.1-178.90109.7L103 G104K30-L103 WeakPolarHBondContact O-CA 3.43Å; K30-G104 PolarHBondContact O-N 3.48Å
31L98.1Very high95.1Very high18 Ų1868.5 Ų68.59%0.09436%0.36CS..EExtended strand (participates in β ladder)trans-100.3130.7174.4177.363.7000110.4A19 L22 K29 I33 V47 F101 I102 L103A19-L31 HydrophobicContact CB-CG 4.33Å; L22-L31 HydrophobicContact CB-CD2 3.86Å; K29-L31 PolarHBondContact O-N 2.92Å; K29-L31 VanDerWaalsContact O-N 3.14Å; L31-I33 HydrophobicContact CD1-CG1 4.29Å; L31-I33 HydrophobicContact CD2-CD1 4.42Å; L31-I33 HydrophobicContact CD2-CG1 4.37Å; L31-I33 HydrophobicContact CG-CG1 4.22Å; L31-V47 HydrophobicContact CD1-CG1 4.32Å; L31-V47 HydrophobicContact CD1-CG2 3.94Å; L31-V47 HydrophobicContact CD2-CG1 3.9Å; L31-V47 HydrophobicContact CD2-CG2 3.96Å; L31-F101 HydrophobicContact CD1-CB 4.32Å; L31-F101 HydrophobicContact CD1-CD2 3.78Å; L31-F101 HydrophobicContact CD1-CG 4.39Å; L31-I102 CarbonylContact C-O 3.6Å; L31-I102 WeakPolarHBondContact CA-O 3.49Å; L31-L103 HydrophobicContact CB-CD1 4.16Å; L31-L103 HydrophobicContact CD1-CD1 4.31Å
32T97Very high95.2Very high49 Ų4964.4 Ų64.430%0.30134%0.342SS..EExtended strand (participates in β ladder)trans-128118.6168.8-52.60000108.2M34 F101 I102T32-M34 HydrophobicContact CG2-SD 3.72Å; T32-F101 CarbonylContact O-C 3.52Å; T32-F101 VanDerWaalsContact O-CA 3.3Å; T32-F101 WeakPolarHBondContact O-CA 3.33Å; T32-F101 WeakPolarHBondContact O-CB 3.31Å; T32-I102 PolarHBondContact N-O 3.33Å; T32-I102 PolarHBondContact O-N 3.22Å
33I96.5Very high95.4Very high6 Ų664 Ų643%0.03134%0.34CS..EExtended strand (participates in β ladder)trans-95120.6174.1-56.6173.3000107.7L15 L18 A19 L22 L31 C36 I43 F101L15-I33 HydrophobicContact CD2-CG2 3.77Å; L18-I33 HydrophobicContact CB-CD1 4.31Å; L18-I33 HydrophobicContact CD2-CD1 3.93Å; L18-I33 HydrophobicContact CG-CD1 3.79Å; A19-I33 HydrophobicContact CB-CB 4.32Å; A19-I33 HydrophobicContact CB-CD1 4.04Å; A19-I33 HydrophobicContact CB-CG1 3.88Å; L22-I33 HydrophobicContact CD1-CD1 4.13Å; L31-I33 HydrophobicContact CD1-CG1 4.29Å; L31-I33 HydrophobicContact CD2-CD1 4.42Å; L31-I33 HydrophobicContact CD2-CG1 4.37Å; L31-I33 HydrophobicContact CG-CG1 4.22Å; I33-C36 HydrophobicContact CG2-CB 3.78Å; I33-I43 HydrophobicContact CD1-CG1 4.21Å; I33-F101 HydrophobicContact CB-CB 4.47Å; I33-F101 HydrophobicContact CG1-CB 4.23Å
34M94.6Very high95.6Very high73 Ų7365 Ų6536%0.3634%0.342SS..EExtended strand (participates in β ladder)trans-94.4-41.2-175.5-59.8-65.5-65.400111.1L15 T32 Y100 I102L15-M34 WeakPolarHBondContact CD1-O 3.44Å; T32-M34 HydrophobicContact CG2-SD 3.72Å; M34-Y100 HydrophobicContact CB-CD1 3.42Å; M34-Y100 VanDerWaalsContact CB-CD1 3.42Å; M34-Y100 HydrophobicContact CB-CE1 3.87Å; M34-Y100 HydrophobicContact CB-CG 4.34Å; M34-Y100 WeakPolarHBondContact CB-O 3.36Å; M34-Y100 HydrophobicContact CG-CD1 3.78Å; M34-Y100 HydrophobicContact CG-CE1 3.71Å; M34-Y100 PolarHBondContact N-O 2.88Å; M34-I102 HydrophobicContact CG-CD1 4.48Å
35V94.9Very high96Very high70 Ų7061.2 Ų61.242%0.42431%0.314SS..EExtended strand (participates in β ladder)trans-146139.5175.7-174.90000108.1F98 A99 Y100V35-F98 HydrophobicContact CB-CE1 4.05Å; V35-F98 HydrophobicContact CG1-CD1 4Å; V35-F98 HydrophobicContact CG1-CE1 3.79Å; V35-A99 WeakPolarHBondContact O-CA 3.4Å; V35-Y100 PolarHBondContact N-O 3.17Å; V35-Y100 VanDerWaalsContact N-O 3.1Å; V35-Y100 PolarHBondContact O-N 3.34Å
36C95.3Very high96.3Very high31 Ų3155.8 Ų55.821%0.20928%0.281CS..EExtended strand (participates in β ladder)trans-149.2107175.7-175.10000109.4L15 I33 M38L15-C36 HydrophobicContact CD2-CB 3.59Å; I33-C36 HydrophobicContact CG2-CB 3.78Å; C36-M38 VanDerWaalsContact SG-CG 3.52Å
37D95.2Very high96.6Very high62 Ų6254.1 Ų54.133%0.33227%0.272SS..EExtended strand (participates in β ladder)trans-115.473.4165.6178.128.2000107.6S96 T97 F98D37-S96 CarbonylContact O-C 3.58Å; D37-S96 WeakPolarHBondContact O-CA 3.33Å; D37-S96 VanDerWaalsContact OD1-CA 3.31Å; D37-S96 WeakPolarHBondContact OD1-CA 3.25Å; D37-S96 PolarHBondContact OD1-N 2.64Å; D37-S96 PolarHBondContact OD1-OG 2.98Å; D37-S96 PolarHBondContact OD2-N 3.36Å; D37-T97 PolarHBondContact O-N 2.87Å; D37-F98 CarbonylContact C-O 3.3Å; D37-F98 VanDerWaalsContact C-O 3.3Å; D37-F98 WeakPolarHBondContact CA-O 3.4Å; D37-F98 PolarHBondContact N-O 2.76Å; D37-F98 PolarHBondContact O-N 3.45Å
38M95.7Very high96.8Very high21 Ų2158 Ų5810%0.10329%0.29CS..SBendtrans-160.3166.5173.758.5176.556.900109.1C36 M42 I43 F98 A99 I110C36-M38 VanDerWaalsContact SG-CG 3.52Å; M38-M42 HydrophobicContact CB-CB 4.22Å; M38-M42 HydrophobicContact CB-CG 4.27Å; M38-M42 HydrophobicContact CB-SD 3.71Å; M38-M42 HydrophobicContact CE-CG 4.4Å; M38-M42 HydrophobicContact CE-SD 4.16Å; M38-M42 HydrophobicContact CG-CB 4.39Å; M38-M42 HydrophobicContact CG-SD 4.49Å; M38-M42 HydrophobicContact SD-CB 4.11Å; M38-M42 HydrophobicContact SD-CG 3.82Å; M38-M42 HydrophobicContact SD-SD 4.19Å; M38-I43 HydrophobicContact CG-CB 3.95Å; M38-I43 VanDerWaalsContact SD-CA 3.59Å; M38-I43 HydrophobicContact SD-CB 3.71Å; M38-I43 HydrophobicContact SD-CD1 3.95Å; M38-I43 HydrophobicContact SD-CG1 4.42Å; M38-F98 VanDerWaalsContact CE-C 3.44Å; M38-A99 HydrophobicContact CE-CB 3.36Å; M38-A99 HydrophobicContact CG-CB 4.31Å; M38-A99 HydrophobicContact SD-CB 3.73Å; M38-I110 HydrophobicContact CE-CG2 4.45Å
39S96.2Very high97Very high61 Ų6149.7 Ų49.743%0.42725%0.254SS..  trans-66.4156.7178.374.10000112.3E41 M42 I43S39-E41 PolarHBondContact O-N 2.87Å; S39-M42 PolarHBondContact O-N 2.92Å; S39-M42 VanDerWaalsContact O-N 3.08Å; S39-M42 WeakPolarHBondContact OG-CB 3.4Å; S39-M42 PolarHBondContact OG-N 2.74Å; S39-I43 WeakPolarHBondContact O-CG2 3.26Å; S39-I43 PolarHBondContact O-N 3.01Å
40E96.2Very high97.1Very high110 Ų11047.1 Ų47.151%0.51424%0.242SC..Hα-helixtrans-57.1-36.4175.1-77.5-163.4-16000112.5L18 K21 I43 T44L18-E40 HydrophobicContact CD1-CG 4.16Å; K21-E40 IonicContact NZ-OE1 3.05Å; K21-E40 IonicContact NZ-OE2 2.69Å; K21-E40 PolarHBondContact NZ-OE2 2.9Å; E40-I43 WeakPolarHBondContact O-CG2 3.35Å; E40-T44 VanDerWaalsContact O-CB 3.26Å; E40-T44 WeakPolarHBondContact O-CB 3.48Å; E40-T44 PolarHBondContact O-N 3.03Å; E40-T44 PolarHBondContact O-OG1 3.21Å
41E97.5Very high97.2Very high110 Ų11040.7 Ų40.751%0.51422%0.215SC..Hα-helixtrans-62.3-46.6175.5-171.1-164.8154.100110.9S39 T44 D45 K74S39-E41 PolarHBondContact O-N 2.87Å; E41-T44 WeakPolarHBondContact O-CB 3.35Å; E41-T44 PolarHBondContact O-N 3.33Å; E41-D45 PolarHBondContact O-N 3.26Å; E41-K74 WeakPolarHBondContact OE1-CE 3.46Å; E41-K74 IonicContact OE1-NZ 2.69Å; E41-K74 PolarHBondContact OE1-NZ 3.34Å
42M98Very high97.2Very high21 Ų2143.6 Ų43.610%0.10323%0.228CC..Hα-helixtrans-68-41.6-175.5-170.6-179.4-72.200112.3M38 S39 T44 D45 A46 F71 Y75 W79M38-M42 HydrophobicContact CB-CB 4.22Å; M38-M42 HydrophobicContact CB-CG 4.27Å; M38-M42 HydrophobicContact CB-SD 3.71Å; M38-M42 HydrophobicContact CE-CG 4.4Å; M38-M42 HydrophobicContact CE-SD 4.16Å; M38-M42 HydrophobicContact CG-CB 4.39Å; M38-M42 HydrophobicContact CG-SD 4.49Å; M38-M42 HydrophobicContact SD-CB 4.11Å; M38-M42 HydrophobicContact SD-CG 3.82Å; M38-M42 HydrophobicContact SD-SD 4.19Å; S39-M42 PolarHBondContact O-N 2.92Å; S39-M42 VanDerWaalsContact O-N 3.08Å; S39-M42 WeakPolarHBondContact OG-CB 3.4Å; S39-M42 PolarHBondContact OG-N 2.74Å; M42-T44 VanDerWaalsContact C-N 3.34Å; M42-D45 PolarHBondContact O-N 3.29Å; M42-A46 WeakPolarHBondContact O-CB 3.37Å; M42-A46 PolarHBondContact O-N 3.42Å; M42-F71 HydrophobicContact CG-CE1 3.72Å; M42-F71 HydrophobicContact CG-CZ 4.38Å; M42-F71 HydrophobicContact SD-CE1 4.47Å; M42-Y75 HydrophobicContact CE-CD1 3.78Å; M42-Y75 HydrophobicContact CE-CD2 4.42Å; M42-Y75 HydrophobicContact CE-CE1 4.09Å; M42-Y75 HydrophobicContact CE-CG 3.95Å; M42-Y75 HydrophobicContact CG-CD2 4.31Å; M42-Y75 HydrophobicContact CG-CE2 3.98Å; M42-W79 HydrophobicContact CE-CH2 4.04Å; M42-W79 HydrophobicContact CE-CZ2 4.12Å; M42-W79 HydrophobicContact SD-CH2 3.42Å; M42-W79 WeakPolarHBondContact SD-CH2 3.43Å; M42-W79 HydrophobicContact SD-CZ2 4.09Å; M42-W79 HydrophobicContact SD-CZ3 4.31Å
43I97.9Very high97.3Very high1 Ų141.2 Ų41.21%0.00521%0.214CC..Hα-helixtrans-70.3-31.7175.7-171.660.8000112.1L18 L22 I33 M38 S39 E40 A46 V47 A99 F101L18-I43 HydrophobicContact CD2-CG2 4.26Å; L22-I43 HydrophobicContact CD1-CG1 4.21Å; L22-I43 HydrophobicContact CD1-CG2 4Å; I33-I43 HydrophobicContact CD1-CG1 4.21Å; M38-I43 HydrophobicContact CG-CB 3.95Å; M38-I43 VanDerWaalsContact SD-CA 3.59Å; M38-I43 HydrophobicContact SD-CB 3.71Å; M38-I43 HydrophobicContact SD-CD1 3.95Å; M38-I43 HydrophobicContact SD-CG1 4.42Å; S39-I43 WeakPolarHBondContact O-CG2 3.26Å; S39-I43 PolarHBondContact O-N 3.01Å; E40-I43 WeakPolarHBondContact O-CG2 3.35Å; I43-A46 HydrophobicContact CD1-CB 4.26Å; I43-A46 PolarHBondContact O-N 2.94Å; I43-V47 HydrophobicContact CD1-CG2 4.36Å; I43-V47 HydrophobicContact CG1-CG2 4.44Å; I43-V47 WeakPolarHBondContact O-CB 3.25Å; I43-V47 VanDerWaalsContact O-CG2 3.29Å; I43-V47 WeakPolarHBondContact O-CG2 3.34Å; I43-V47 PolarHBondContact O-N 3.34Å; I43-A99 HydrophobicContact CD1-CB 3.74Å; I43-F101 HydrophobicContact CD1-CD1 4Å; I43-F101 HydrophobicContact CD1-CE1 4.26Å
44T98.2Very high97.3Very high39 Ų3942.7 Ų42.724%0.23922%0.222CC..Hα-helixtrans-59.8-50.6171.9-63.30000110L22 I26 E40 E41 M42 A46 V47 Q48L22-T44 VanDerWaalsContact CD2-OG1 3.26Å; L22-T44 WeakPolarHBondContact CD2-OG1 3.47Å; I26-T44 HydrophobicContact CD1-CG2 3.61Å; E40-T44 VanDerWaalsContact O-CB 3.26Å; E40-T44 WeakPolarHBondContact O-CB 3.48Å; E40-T44 PolarHBondContact O-N 3.03Å; E40-T44 PolarHBondContact O-OG1 3.21Å; E41-T44 WeakPolarHBondContact O-CB 3.35Å; E41-T44 PolarHBondContact O-N 3.33Å; M42-T44 VanDerWaalsContact C-N 3.34Å; T44-A46 PolarHBondContact O-N 3.3Å; T44-V47 PolarHBondContact O-N 2.95Å; T44-Q48 WeakPolarHBondContact O-CB 3.46Å; T44-Q48 PolarHBondContact O-N 3.16Å
45D98.5Very high97.4Very high20 Ų2044.4 Ų44.411%0.10723%0.233CC..Hα-helixtrans-61.6-42.1177.5-85.714.5000112.4E41 M42 Q48 K49 F70 F71 K74 Y75E41-D45 PolarHBondContact O-N 3.26Å; M42-D45 PolarHBondContact O-N 3.29Å; D45-Q48 PolarHBondContact O-N 3.21Å; D45-K49 WeakPolarHBondContact O-CB 3.48Å; D45-K49 WeakPolarHBondContact O-CG 3.32Å; D45-K49 PolarHBondContact O-N 3.44Å; D45-F70 HydrophobicContact CB-CE1 3.93Å; D45-F70 HydrophobicContact CB-CZ 4.37Å; D45-F70 WeakPolarHBondContact OD2-CE1 3.4Å; D45-F70 WeakPolarHBondContact OD2-CZ 3.41Å; D45-F71 HydrophobicContact CB-CZ 4.5Å; D45-K74 IonicContact OD1-NZ 3.97Å; D45-K74 VanDerWaalsContact OD2-CD 3.32Å; D45-K74 WeakPolarHBondContact OD2-CD 3.32Å; D45-K74 WeakPolarHBondContact OD2-CE 3.46Å; D45-K74 IonicContact OD2-NZ 2.71Å; D45-K74 PolarHBondContact OD2-NZ 3Å; D45-Y75 HydrophobicContact CB-CE2 4.39Å; D45-Y75 PolarHBondContact OD2-OH 3.18Å
46A98.6Very high97.5Very high0 Ų045 Ų450%024%0.237CC..Hα-helixtrans-57.1-50.5175.600000111.8M42 I43 T44 K49 A50 F71 F101 I110M42-A46 WeakPolarHBondContact O-CB 3.37Å; M42-A46 PolarHBondContact O-N 3.42Å; I43-A46 HydrophobicContact CD1-CB 4.26Å; I43-A46 PolarHBondContact O-N 2.94Å; T44-A46 PolarHBondContact O-N 3.3Å; A46-K49 PolarHBondContact O-N 2.98Å; A46-A50 VanDerWaalsContact O-CB 3.3Å; A46-A50 WeakPolarHBondContact O-CB 3.41Å; A46-A50 PolarHBondContact O-N 2.83Å; A46-F71 HydrophobicContact CB-CE2 4.21Å; A46-F71 HydrophobicContact CB-CZ 3.68Å; A46-F101 HydrophobicContact CB-CE1 4.01Å; A46-F101 HydrophobicContact CB-CZ 4.24Å; A46-I110 HydrophobicContact CB-CD1 3.72Å
47V98.6Very high97.6Very high0 Ų046.6 Ų46.60%024%0.242CC..Hα-helixtrans-65.1-42179.91710000110.7I26 T27 L31 I43 T44 A50 D51 F101I26-V47 HydrophobicContact CB-CG1 4.46Å; I26-V47 HydrophobicContact CD1-CB 4.49Å; I26-V47 HydrophobicContact CD1-CG1 4.33Å; I26-V47 HydrophobicContact CG2-CG1 4.12Å; T27-V47 HydrophobicContact CG2-CG1 4.36Å; L31-V47 HydrophobicContact CD1-CG1 4.32Å; L31-V47 HydrophobicContact CD1-CG2 3.94Å; L31-V47 HydrophobicContact CD2-CG1 3.9Å; L31-V47 HydrophobicContact CD2-CG2 3.96Å; I43-V47 HydrophobicContact CD1-CG2 4.36Å; I43-V47 HydrophobicContact CG1-CG2 4.44Å; I43-V47 WeakPolarHBondContact O-CB 3.25Å; I43-V47 VanDerWaalsContact O-CG2 3.29Å; I43-V47 WeakPolarHBondContact O-CG2 3.34Å; I43-V47 PolarHBondContact O-N 3.34Å; T44-V47 PolarHBondContact O-N 2.95Å; V47-A50 PolarHBondContact O-N 3.45Å; V47-D51 WeakPolarHBondContact O-CB 3.46Å; V47-D51 PolarHBondContact O-N 3.45Å; V47-F101 HydrophobicContact CG2-CD2 4.28Å; V47-F101 HydrophobicContact CG2-CE2 4.1Å; V47-F101 HydrophobicContact CG2-CZ 4.32Å
48Q98.4Very high97.6Very high96 Ų9653.4 Ų53.445%0.44927%0.268SS..Hα-helixtrans-63.2-43.9179.1-172.8173.4-4.300111.7I26 T44 D45 D51 E52I26-Q48 HydrophobicContact CG2-CB 3.77Å; I26-Q48 HydrophobicContact CG2-CG 4.13Å; T44-Q48 WeakPolarHBondContact O-CB 3.46Å; T44-Q48 PolarHBondContact O-N 3.16Å; D45-Q48 PolarHBondContact O-N 3.21Å; Q48-D51 PolarHBondContact O-N 3.38Å; Q48-E52 PolarHBondContact O-N 3.33Å
49K98.7Very high97.7Very high42 Ų4257.6 Ų57.618%0.18329%0.291CS..Hα-helixtrans-70.8-33.4177.2-67.6-70.1152.5-161.80112.5D45 A46 E52 A53 I67 F70D45-K49 WeakPolarHBondContact O-CB 3.48Å; D45-K49 WeakPolarHBondContact O-CG 3.32Å; D45-K49 PolarHBondContact O-N 3.44Å; A46-K49 PolarHBondContact O-N 2.98Å; K49-E52 IonicContact NZ-OE2 3.22Å; K49-E52 PolarHBondContact NZ-OE2 2.92Å; K49-A53 WeakPolarHBondContact O-CB 3.37Å; K49-A53 PolarHBondContact O-N 3.08Å; K49-I67 HydrophobicContact CB-CG1 4.08Å; K49-F70 HydrophobicContact CD-CB 4.4Å; K49-F70 HydrophobicContact CD-CD1 4.41Å; K49-F70 HydrophobicContact CD-CD2 4.1Å; K49-F70 HydrophobicContact CD-CG 4.03Å; K49-F70 HydrophobicContact CG-CB 4.5Å; K49-F70 HydrophobicContact CG-CD1 3.87Å; K49-F70 HydrophobicContact CG-CD2 4.42Å; K49-F70 HydrophobicContact CG-CE1 4.18Å; K49-F70 HydrophobicContact CG-CG 4Å
50A98.6Very high97.8Very high0 Ų058.5 Ų58.50%029%0.288CS..Hα-helixtrans-63.9-41.1171.100000112.1A46 V47 A53 L54 I67 F101 L103 F108A46-A50 VanDerWaalsContact O-CB 3.3Å; A46-A50 WeakPolarHBondContact O-CB 3.41Å; A46-A50 PolarHBondContact O-N 2.83Å; V47-A50 PolarHBondContact O-N 3.45Å; A50-A53 PolarHBondContact O-N 3.23Å; A50-L54 VanDerWaalsContact O-CG 3.31Å; A50-L54 WeakPolarHBondContact O-CG 3.46Å; A50-L54 PolarHBondContact O-N 2.88Å; A50-I67 HydrophobicContact CB-CD1 4.34Å; A50-F101 HydrophobicContact CB-CE2 3.79Å; A50-F101 HydrophobicContact CB-CZ 3.86Å; A50-L103 HydrophobicContact CB-CD2 4.02Å; A50-F108 HydrophobicContact CB-CD1 3.9Å; A50-F108 HydrophobicContact CB-CD2 4.18Å; A50-F108 HydrophobicContact CB-CE1 3.7Å; A50-F108 HydrophobicContact CB-CE2 3.98Å; A50-F108 HydrophobicContact CB-CG 4.15Å; A50-F108 HydrophobicContact CB-CZ 3.75Å
51D98.3Very high97.9Very high24 Ų2457 Ų5713%0.12829%0.286CS..Hα-helixtrans-63.9-47.4177.9-16657.3000111.8T27 K29 V47 Q48 A53 L54 D55 L103T27-D51 WeakPolarHBondContact CB-OD1 3.37Å; T27-D51 VanDerWaalsContact OG1-CG 3.25Å; T27-D51 PolarHBondContact OG1-OD1 3.43Å; K29-D51 WeakPolarHBondContact CD-OD1 3.3Å; K29-D51 PolarHBondContact NZ-O 3.11Å; K29-D51 IonicContact NZ-OD1 3.79Å; K29-D51 PolarHBondContact NZ-OD1 2.93Å; K29-D51 IonicContact NZ-OD2 3.05Å; V47-D51 WeakPolarHBondContact O-CB 3.46Å; V47-D51 PolarHBondContact O-N 3.45Å; Q48-D51 PolarHBondContact O-N 3.38Å; D51-A53 PolarHBondContact O-N 3.3Å; D51-L54 PolarHBondContact O-N 3.01Å; D51-D55 PolarHBondContact O-N 3.43Å; D51-L103 HydrophobicContact CB-CD2 3.92Å
52E98.1Very high97.9Very high79 Ų7955.1 Ų55.137%0.36928%0.277SS..Hα-helixtrans-59.5-44.7174.7-176.3-176.5168.100111.6Q48 K49 L54 D55 T56Q48-E52 PolarHBondContact O-N 3.33Å; K49-E52 IonicContact NZ-OE2 3.22Å; K49-E52 PolarHBondContact NZ-OE2 2.92Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-L54 PolarHBondContact O-N 3.14Å; E52-D55 PolarHBondContact O-N 3.23Å; E52-T56 WeakPolarHBondContact O-CB 3.46Å; E52-T56 WeakPolarHBondContact O-CG2 3.29Å; E52-T56 PolarHBondContact O-N 2.89Å; E52-T56 PolarHBondContact O-OG1 3.27Å
53A98.4Very high98Very high0 Ų054.5 Ų54.50%027%0.274CS..Hα-helixtrans-64.1-38.6179.300000112K49 A50 D51 D55 T56 M57 M63 M66 I67K49-A53 WeakPolarHBondContact O-CB 3.37Å; K49-A53 PolarHBondContact O-N 3.08Å; A50-A53 PolarHBondContact O-N 3.23Å; D51-A53 PolarHBondContact O-N 3.3Å; A53-D55 VanDerWaalsContact C-N 3.28Å; A53-D55 PolarHBondContact O-N 3.29Å; A53-T56 PolarHBondContact O-N 2.86Å; A53-M57 VanDerWaalsContact O-CB 3.31Å; A53-M57 WeakPolarHBondContact O-CB 3.41Å; A53-M57 PolarHBondContact O-N 3.03Å; A53-M63 HydrophobicContact CB-CB 3.9Å; A53-M63 HydrophobicContact CB-CG 3.96Å; A53-M66 HydrophobicContact CB-SD 3.76Å; A53-I67 HydrophobicContact CB-CD1 4.43Å
54L97.8Very high98Very high36 Ų3655.2 Ų55.219%0.18828%0.28CS..Hα-helixtrans-65.3-30.2176.1-76.1173.8000113K29 A50 D51 E52 M63 L103 M106 F108K29-L54 HydrophobicContact CD-CB 4.43Å; K29-L54 HydrophobicContact CD-CD1 3.81Å; A50-L54 VanDerWaalsContact O-CG 3.31Å; A50-L54 WeakPolarHBondContact O-CG 3.46Å; A50-L54 PolarHBondContact O-N 2.88Å; D51-L54 PolarHBondContact O-N 3.01Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-L54 PolarHBondContact O-N 3.14Å; L54-M63 HydrophobicContact CD2-CE 4.07Å; L54-M63 HydrophobicContact CD2-SD 4.02Å; L54-L103 HydrophobicContact CD1-CB 4.1Å; L54-L103 HydrophobicContact CD1-CD2 3.74Å; L54-L103 HydrophobicContact CD1-CG 3.78Å; L54-M106 HydrophobicContact CD2-CB 3.9Å; L54-M106 HydrophobicContact CD2-CG 4.2Å; L54-F108 HydrophobicContact CD1-CE2 4.23Å; L54-F108 HydrophobicContact CD1-CZ 4.26Å; L54-F108 HydrophobicContact CD2-CZ 4.21Å; L54-F108 HydrophobicContact CG-CE2 4.48Å; L54-F108 HydrophobicContact CG-CZ 4.03Å
55D96.9Very high98Very high110 Ų11058.8 Ų58.859%0.58829%0.292SS*.Hα-helixtrans-85.6-25.8-179.7-70.5-22.4000113K29 D51 E52 A53K29-D55 VanDerWaalsContact CE-OD1 3.28Å; K29-D55 WeakPolarHBondContact CE-OD1 3.32Å; K29-D55 IonicContact NZ-OD1 3.84Å; K29-D55 PolarHBondContact NZ-OD1 2.98Å; K29-D55 IonicContact NZ-OD2 2.69Å; K29-D55 PolarHBondContact NZ-OD2 3.41Å; D51-D55 PolarHBondContact O-N 3.43Å; E52-D55 PolarHBondContact O-N 3.23Å; A53-D55 VanDerWaalsContact C-N 3.28Å; A53-D55 PolarHBondContact O-N 3.29Å
56T97.3Very high98Very high83 Ų8360 Ų6051%0.50930%0.298SS..Hα-helixtrans-107.4-26.6-171.556.60000114.1E52 A53E52-T56 WeakPolarHBondContact O-CB 3.46Å; E52-T56 WeakPolarHBondContact O-CG2 3.29Å; E52-T56 PolarHBondContact O-N 2.89Å; E52-T56 PolarHBondContact O-OG1 3.27Å; A53-T56 PolarHBondContact O-N 2.86Å
57M96.7Very high98Very high64 Ų6460 Ų6032%0.31530%0.298SS..  trans-112.6146.4-173.6-58.8-61.917400111.7A53 E62 M63 M66A53-M57 VanDerWaalsContact O-CB 3.31Å; A53-M57 WeakPolarHBondContact O-CB 3.41Å; A53-M57 PolarHBondContact O-N 3.03Å; M57-E62 HydrophobicContact CB-CB 4.33Å; M57-E62 HydrophobicContact CG-CB 4.3Å; M57-E62 HydrophobicContact SD-CB 4.07Å; M57-M63 HydrophobicContact CB-CE 4.31Å; M57-M63 HydrophobicContact CB-CG 3.7Å; M57-M63 HydrophobicContact CG-CG 4.47Å; M57-M63 WeakPolarHBondContact O-CE 3.3Å; M57-M66 HydrophobicContact CE-CE 3.37Å; M57-M66 HydrophobicContact CG-CE 4.27Å
58K95Very high98Very high204 Ų20463.3 Ų63.389%0.88731%0.312SS*.SBendtrans-99.5-26.8177.6-65.2-174.6-179.5-179.70113.7
59L97.6Very high98Very high110 Ų11066.7 Ų66.758%0.57633%0.325SS*.SBendtrans-107.5134.7-174.8-60.4177.5000110V61 E62 M63L59-V61 HydrophobicContact CB-CG1 4.12Å; L59-V61 PolarHBondContact O-N 3.06Å; L59-E62 HydrophobicContact CB-CB 4.46Å; L59-E62 HydrophobicContact CB-CG 4.15Å; L59-E62 PolarHBondContact O-N 2.85Å; L59-M63 PolarHBondContact O-N 2.82Å; L59-M63 VanDerWaalsContact O-N 3.14Å
60E98.2Very high98Very high80 Ų8067.4 Ų67.437%0.37433%0.329SS..Hα-helixtrans-55.7-37.8178.7-65.8166.9159.600111.6E62 M63 A64 V83 M106E60-E62 VanDerWaalsContact C-N 3.33Å; E60-E62 PolarHBondContact O-N 3.36Å; E60-M63 WeakPolarHBondContact O-CB 3.23Å; E60-M63 PolarHBondContact O-N 3.46Å; E60-A64 WeakPolarHBondContact O-CB 3.41Å; E60-A64 PolarHBondContact O-N 2.87Å; E60-V83 HydrophobicContact CB-CB 4.24Å; E60-V83 HydrophobicContact CB-CG1 4.23Å; E60-V83 HydrophobicContact CG-CG1 4.32Å; E60-M106 HydrophobicContact CG-CE 3.87Å; E60-M106 HydrophobicContact CG-SD 4.1Å
61V98.1Very high98Very high78 Ų7867.4 Ų67.447%0.47333%0.329SS..Hα-helixtrans-64.7-34.8177.471.60000112.9L59 K65L59-V61 HydrophobicContact CB-CG1 4.12Å; L59-V61 PolarHBondContact O-N 3.06Å; V61-K65 VanDerWaalsContact O-CG 3.26Å; V61-K65 WeakPolarHBondContact O-CG 3.2Å; V61-K65 PolarHBondContact O-N 2.78Å
62E98.5Very high98Very high70 Ų7068.3 Ų68.333%0.32733%0.333SS..Hα-helixtrans-75.8-36.2178.5-64.3-55126.300111M57 L59 E60 K65 M66M57-E62 HydrophobicContact CB-CB 4.33Å; M57-E62 HydrophobicContact CG-CB 4.3Å; M57-E62 HydrophobicContact SD-CB 4.07Å; L59-E62 HydrophobicContact CB-CB 4.46Å; L59-E62 HydrophobicContact CB-CG 4.15Å; L59-E62 PolarHBondContact O-N 2.85Å; E60-E62 VanDerWaalsContact C-N 3.33Å; E60-E62 PolarHBondContact O-N 3.36Å; E62-K65 PolarHBondContact O-N 3.21Å; E62-K65 IonicContact OE1-NZ 2.84Å; E62-K65 PolarHBondContact OE1-NZ 3.43Å; E62-M66 WeakPolarHBondContact O-CB 3.36Å; E62-M66 PolarHBondContact O-N 2.97Å
63M98.7Very high98.1Very high9 Ų969.7 Ų69.74%0.04435%0.352CS..Hα-helixtrans-58.8-49.4169.9-60.1171.2-174.600110.7A53 L54 M57 L59 E60 K65 M66 I67 V83A53-M63 HydrophobicContact CB-CB 3.9Å; A53-M63 HydrophobicContact CB-CG 3.96Å; L54-M63 HydrophobicContact CD2-CE 4.07Å; L54-M63 HydrophobicContact CD2-SD 4.02Å; M57-M63 HydrophobicContact CB-CE 4.31Å; M57-M63 HydrophobicContact CB-CG 3.7Å; M57-M63 HydrophobicContact CG-CG 4.47Å; M57-M63 WeakPolarHBondContact O-CE 3.3Å; L59-M63 PolarHBondContact O-N 2.82Å; L59-M63 VanDerWaalsContact O-N 3.14Å; E60-M63 WeakPolarHBondContact O-CB 3.23Å; E60-M63 PolarHBondContact O-N 3.46Å; M63-K65 PolarHBondContact O-N 3.02Å; M63-M66 PolarHBondContact O-N 3.44Å; M63-I67 WeakPolarHBondContact O-CG1 3.3Å; M63-I67 PolarHBondContact O-N 2.61Å; M63-I67 VanDerWaalsContact O-N 3.11Å; M63-V83 HydrophobicContact CB-CG1 4.33Å; M63-V83 HydrophobicContact CB-CG2 4.22Å; M63-V83 HydrophobicContact SD-CG1 3.99Å
64A98.8Very high98.1Very high15 Ų1574 Ų7412%0.12437%0.371CS..Hα-helixtrans-59.1-45.8179.300000112E60 I67 K68 I81 V83E60-A64 WeakPolarHBondContact O-CB 3.41Å; E60-A64 PolarHBondContact O-N 2.87Å; A64-I67 PolarHBondContact O-N 2.83Å; A64-K68 VanDerWaalsContact O-CB 3.25Å; A64-K68 WeakPolarHBondContact O-CB 3.06Å; A64-K68 PolarHBondContact O-N 3.22Å; A64-I81 HydrophobicContact CB-CB 4.19Å; A64-I81 HydrophobicContact CB-CG2 4.1Å; A64-V83 HydrophobicContact CB-CG2 3.93Å
65K98.6Very high98.1Very high114 Ų11473.8 Ų73.850%0.49637%0.368SS..Hα-helixtrans-61-44.4177.4-75.4170-177169.90112.6V61 E62 M63 K68 K69V61-K65 VanDerWaalsContact O-CG 3.26Å; V61-K65 WeakPolarHBondContact O-CG 3.2Å; V61-K65 PolarHBondContact O-N 2.78Å; E62-K65 PolarHBondContact O-N 3.21Å; E62-K65 IonicContact OE1-NZ 2.84Å; E62-K65 PolarHBondContact OE1-NZ 3.43Å; M63-K65 PolarHBondContact O-N 3.02Å; K65-K68 PolarHBondContact O-N 2.94Å; K65-K69 WeakPolarHBondContact O-CB 3.42Å; K65-K69 PolarHBondContact O-N 3.17Å
66M98.6Very high98Very high46 Ų4674.1 Ų74.123%0.22737%0.369CS..Hα-helixtrans-58.6-51.6178.5174.3-167.8-90.300110.8A53 M57 E62 M63 K69 F70A53-M66 HydrophobicContact CB-SD 3.76Å; M57-M66 HydrophobicContact CE-CE 3.37Å; M57-M66 HydrophobicContact CG-CE 4.27Å; E62-M66 WeakPolarHBondContact O-CB 3.36Å; E62-M66 PolarHBondContact O-N 2.97Å; M63-M66 PolarHBondContact O-N 3.44Å; M66-K69 PolarHBondContact O-N 2.89Å; M66-F70 PolarHBondContact O-N 3.03Å
67I98.8Very high98Very high0 Ų073.5 Ų73.50%037%0.366CS..Hα-helixtrans-65.3-43.9-178.3-59.5165.9000109.8K49 A50 A53 M63 A64 K69 F70 F71 I81 F108 I110K49-I67 HydrophobicContact CB-CG1 4.08Å; A50-I67 HydrophobicContact CB-CD1 4.34Å; A53-I67 HydrophobicContact CB-CD1 4.43Å; M63-I67 WeakPolarHBondContact O-CG1 3.3Å; M63-I67 PolarHBondContact O-N 2.61Å; M63-I67 VanDerWaalsContact O-N 3.11Å; A64-I67 PolarHBondContact O-N 2.83Å; I67-K69 VanDerWaalsContact C-N 3.34Å; I67-K69 PolarHBondContact O-N 2.88Å; I67-F70 WeakPolarHBondContact O-CB 3.4Å; I67-F70 PolarHBondContact O-N 2.9Å; I67-F70 VanDerWaalsContact O-N 3.16Å; I67-F71 HydrophobicContact CG2-CD2 3.71Å; I67-F71 HydrophobicContact CG2-CE2 3.94Å; I67-F71 WeakPolarHBondContact O-CD2 3.44Å; I67-F71 PolarHBondContact O-N 3.01Å; I67-I81 HydrophobicContact CB-CD1 4.47Å; I67-I81 HydrophobicContact CB-CG1 4.29Å; I67-I81 HydrophobicContact CB-CG2 4.19Å; I67-I81 HydrophobicContact CD1-CG2 4.36Å; I67-I81 HydrophobicContact CG2-CD1 3.78Å; I67-I81 HydrophobicContact CG2-CG1 4.14Å; I67-I81 HydrophobicContact CG2-CG2 4.29Å; I67-F108 HydrophobicContact CD1-CD1 3.78Å; I67-F108 HydrophobicContact CD1-CE1 3.69Å; I67-I110 HydrophobicContact CG2-CD1 3.84Å
68K98.7Very high98Very high70 Ų7072.1 Ų72.130%0.30436%0.362SS..Hα-helixtrans-57.1-48.7179.1-169.3-160.6-173-39.80111A64 K65 F70 F71 D72 W79 I81A64-K68 VanDerWaalsContact O-CB 3.25Å; A64-K68 WeakPolarHBondContact O-CB 3.06Å; A64-K68 PolarHBondContact O-N 3.22Å; K65-K68 PolarHBondContact O-N 2.94Å; K68-F70 VanDerWaalsContact C-N 3.27Å; K68-F70 PolarHBondContact O-N 2.92Å; K68-F71 PolarHBondContact O-N 2.81Å; K68-D72 VanDerWaalsContact NZ-CG 3.3Å; K68-D72 IonicContact NZ-OD1 2.62Å; K68-D72 PolarHBondContact NZ-OD1 3.47Å; K68-D72 IonicContact NZ-OD2 2.73Å; K68-D72 PolarHBondContact NZ-OD2 2.84Å; K68-D72 WeakPolarHBondContact O-CB 3.42Å; K68-D72 PolarHBondContact O-N 2.87Å; K68-W79 WeakPolarHBondContact CE-O 3.25Å; K68-W79 WeakPolarHBondContact CG-O 3.36Å; K68-W79 PolarHBondContact NZ-O 2.79Å; K68-I81 HydrophobicContact CB-CG1 3.65Å; K68-I81 HydrophobicContact CG-CG1 4.26Å
69K98.6Very high98.1Very high166 Ų16662.4 Ų62.472%0.72232%0.32SS*.Hα-helixtrans-58.9-40.7-180-176.3178.5178.6-179.10111.8K65 M66 I67 S73K65-K69 WeakPolarHBondContact O-CB 3.42Å; K65-K69 PolarHBondContact O-N 3.17Å; M66-K69 PolarHBondContact O-N 2.89Å; I67-K69 VanDerWaalsContact C-N 3.34Å; I67-K69 PolarHBondContact O-N 2.88Å; K69-S73 WeakPolarHBondContact O-CB 3.35Å; K69-S73 PolarHBondContact O-N 3.48Å
70F98.7Very high98.2Very high58 Ų5861 Ų6125%0.25431%0.31SS..Hα-helixtrans-64.7-49.1175.5175.3-91.8000111.5D45 K49 M66 I67 K68 S73 K74 Y75D45-F70 HydrophobicContact CB-CE1 3.93Å; D45-F70 HydrophobicContact CB-CZ 4.37Å; D45-F70 WeakPolarHBondContact OD2-CE1 3.4Å; D45-F70 WeakPolarHBondContact OD2-CZ 3.41Å; K49-F70 HydrophobicContact CD-CB 4.4Å; K49-F70 HydrophobicContact CD-CD1 4.41Å; K49-F70 HydrophobicContact CD-CD2 4.1Å; K49-F70 HydrophobicContact CD-CG 4.03Å; K49-F70 HydrophobicContact CG-CB 4.5Å; K49-F70 HydrophobicContact CG-CD1 3.87Å; K49-F70 HydrophobicContact CG-CD2 4.42Å; K49-F70 HydrophobicContact CG-CE1 4.18Å; K49-F70 HydrophobicContact CG-CG 4Å; M66-F70 PolarHBondContact O-N 3.03Å; I67-F70 WeakPolarHBondContact O-CB 3.4Å; I67-F70 PolarHBondContact O-N 2.9Å; I67-F70 VanDerWaalsContact O-N 3.16Å; K68-F70 VanDerWaalsContact C-N 3.27Å; K68-F70 PolarHBondContact O-N 2.92Å; F70-S73 PolarHBondContact O-N 3.27Å; F70-K74 HydrophobicContact CE1-CB 4.48Å; F70-K74 HydrophobicContact CE1-CD 4.06Å; F70-K74 HydrophobicContact CE2-CD 4.5Å; F70-K74 HydrophobicContact CZ-CD 3.69Å; F70-K74 PolarHBondContact O-N 3.41Å; F70-Y75 HydrophobicContact CE1-CE2 4.33Å
71F98.7Very high98.2Very high0 Ų058.3 Ų58.30%030%0.298CS..Hα-helixtrans-66-43.6-177.5-90.7-103.3000112.9M42 D45 A46 I67 K68 S73 K74 Y75 W79 I110M42-F71 HydrophobicContact CG-CE1 3.72Å; M42-F71 HydrophobicContact CG-CZ 4.38Å; M42-F71 HydrophobicContact SD-CE1 4.47Å; D45-F71 HydrophobicContact CB-CZ 4.5Å; A46-F71 HydrophobicContact CB-CE2 4.21Å; A46-F71 HydrophobicContact CB-CZ 3.68Å; I67-F71 HydrophobicContact CG2-CD2 3.71Å; I67-F71 HydrophobicContact CG2-CE2 3.94Å; I67-F71 WeakPolarHBondContact O-CD2 3.44Å; I67-F71 PolarHBondContact O-N 3.01Å; K68-F71 PolarHBondContact O-N 2.81Å; F71-S73 PolarHBondContact O-N 2.97Å; F71-K74 PolarHBondContact O-N 3.16Å; F71-Y75 AromaticContact CD1-CD2 3.53Å; F71-Y75 HydrophobicContact CD1-CD2 3.53Å; F71-Y75 HydrophobicContact CD1-CE2 4.12Å; F71-Y75 AromaticContact CE1-CD2 3.72Å; F71-Y75 HydrophobicContact CE1-CD2 3.72Å; F71-Y75 AromaticContact CE1-CE2 3.85Å; F71-Y75 HydrophobicContact CE1-CE2 3.85Å; F71-Y75 HydrophobicContact CG-CD2 4.1Å; F71-Y75 HydrophobicContact CZ-CD2 4.38Å; F71-Y75 HydrophobicContact CZ-CE2 4.15Å; F71-Y75 WeakPolarHBondContact O-CA 3.4Å; F71-Y75 WeakPolarHBondContact O-CB 3.39Å; F71-Y75 PolarHBondContact O-N 2.87Å; F71-W79 VanDerWaalsContact C-CD1 3.5Å; F71-W79 HydrophobicContact CB-CB 3.95Å; F71-W79 HydrophobicContact CB-CD2 3.82Å; F71-W79 HydrophobicContact CB-CE3 4.34Å; F71-W79 HydrophobicContact CB-CG 3.6Å; F71-W79 AromaticContact CD1-CD2 3.7Å; F71-W79 HydrophobicContact CD1-CD2 3.7Å; F71-W79 AromaticContact CD1-CE2 3.93Å; F71-W79 AromaticContact CD1-CE3 3.59Å; F71-W79 HydrophobicContact CD1-CE3 3.59Å; F71-W79 HydrophobicContact CD1-CG 4.41Å; F71-W79 AromaticContact CD1-CH2 4Å; F71-W79 HydrophobicContact CD1-CH2 4Å; F71-W79 HydrophobicContact CD1-CZ2 4.09Å; F71-W79 AromaticContact CD1-CZ3 3.74Å; F71-W79 HydrophobicContact CD1-CZ3 3.74Å; F71-W79 HydrophobicContact CE1-CE3 4.38Å; F71-W79 HydrophobicContact CE1-CH2 4.33Å; F71-W79 HydrophobicContact CE1-CZ3 4.13Å; F71-W79 HydrophobicContact CG-CD2 4.21Å; F71-W79 HydrophobicContact CG-CE3 4.3Å; F71-W79 HydrophobicContact CG-CG 4.47Å; F71-W79 PolarHBondContact O-NE1 3.1Å; F71-I110 HydrophobicContact CD1-CG2 4.19Å; F71-I110 HydrophobicContact CE1-CG2 4.1Å
72D98.3Very high98.2Very high42 Ų4257.7 Ų57.723%0.22529%0.291CS..Hα-helixtrans-58.9-36.5173.6-72.7-24.6000111.8K68 P77 W79K68-D72 VanDerWaalsContact NZ-CG 3.3Å; K68-D72 IonicContact NZ-OD1 2.62Å; K68-D72 PolarHBondContact NZ-OD1 3.47Å; K68-D72 IonicContact NZ-OD2 2.73Å; K68-D72 PolarHBondContact NZ-OD2 2.84Å; K68-D72 WeakPolarHBondContact O-CB 3.42Å; K68-D72 PolarHBondContact O-N 2.87Å; D72-P77 HydrophobicContact CB-CB 4.26Å; D72-W79 WeakPolarHBondContact OD1-CB 3.38Å; D72-W79 PolarHBondContact OD1-N 2.91Å
73S98.3Very high98.2Very high108 Ų10855 Ų5576%0.75528%0.28SS*.Hα-helixtrans-75.7-35.5-179.7-174.20000113.2K69 F70 F71K69-S73 WeakPolarHBondContact O-CB 3.35Å; K69-S73 PolarHBondContact O-N 3.48Å; F70-S73 PolarHBondContact O-N 3.27Å; F71-S73 PolarHBondContact O-N 2.97Å
74K98.5Very high98.2Very high92 Ų9254.9 Ų54.940%0.428%0.281SS..Hα-helixtrans-93.5-33.3-175.4-170.2174.7175.6-169.60112.8E41 D45 F70 F71E41-K74 WeakPolarHBondContact OE1-CE 3.46Å; E41-K74 IonicContact OE1-NZ 2.69Å; E41-K74 PolarHBondContact OE1-NZ 3.34Å; D45-K74 IonicContact OD1-NZ 3.97Å; D45-K74 VanDerWaalsContact OD2-CD 3.32Å; D45-K74 WeakPolarHBondContact OD2-CD 3.32Å; D45-K74 WeakPolarHBondContact OD2-CE 3.46Å; D45-K74 IonicContact OD2-NZ 2.71Å; D45-K74 PolarHBondContact OD2-NZ 3Å; F70-K74 HydrophobicContact CE1-CB 4.48Å; F70-K74 HydrophobicContact CE1-CD 4.06Å; F70-K74 HydrophobicContact CE2-CD 4.5Å; F70-K74 HydrophobicContact CZ-CD 3.69Å; F70-K74 PolarHBondContact O-N 3.41Å; F71-K74 PolarHBondContact O-N 3.16Å
75Y97.7Very high98.1Very high31 Ų3161.8 Ų61.812%0.12230%0.303CS..SBendtrans-128.433.3-162.3-60.8-58.9000115.4M42 D45 F70 F71 W79 R112M42-Y75 HydrophobicContact CE-CD1 3.78Å; M42-Y75 HydrophobicContact CE-CD2 4.42Å; M42-Y75 HydrophobicContact CE-CE1 4.09Å; M42-Y75 HydrophobicContact CE-CG 3.95Å; M42-Y75 HydrophobicContact CG-CD2 4.31Å; M42-Y75 HydrophobicContact CG-CE2 3.98Å; D45-Y75 HydrophobicContact CB-CE2 4.39Å; D45-Y75 PolarHBondContact OD2-OH 3.18Å; F70-Y75 HydrophobicContact CE1-CE2 4.33Å; F71-Y75 AromaticContact CD1-CD2 3.53Å; F71-Y75 HydrophobicContact CD1-CD2 3.53Å; F71-Y75 HydrophobicContact CD1-CE2 4.12Å; F71-Y75 AromaticContact CE1-CD2 3.72Å; F71-Y75 HydrophobicContact CE1-CD2 3.72Å; F71-Y75 AromaticContact CE1-CE2 3.85Å; F71-Y75 HydrophobicContact CE1-CE2 3.85Å; F71-Y75 HydrophobicContact CG-CD2 4.1Å; F71-Y75 HydrophobicContact CZ-CD2 4.38Å; F71-Y75 HydrophobicContact CZ-CE2 4.15Å; F71-Y75 WeakPolarHBondContact O-CA 3.4Å; F71-Y75 WeakPolarHBondContact O-CB 3.39Å; F71-Y75 PolarHBondContact O-N 2.87Å; Y75-W79 HydrophobicContact CG-CZ2 4.38Å; Y75-W79 PolarHBondContact O-NE1 2.82Å; Y75-R112 PolarHBondContact O-NH1 2.69Å
76L94.9Very high97.7Very high117 Ų11766 Ų6661%0.61332%0.322SS*.  trans54.4120.5-179-171.180.9000113.8W79 R112L76-W79 PolarHBondContact O-NE1 2.73Å; L76-R112 WeakPolarHBondContact O-CD 3.4Å
77P97.2Very high97.5Very high69 Ų6966.7 Ų66.745%0.44832%0.324SS..SBendtrans-66.4165.3177.830.8-36.2000112.4D72D72-P77 HydrophobicContact CB-CB 4.26Å
78P97.1Very high97.2Very high36 Ų3670.4 Ų70.423%0.23436%0.362CS..PPolyproline II helixcis-98120.73.434.2-30.9000113.9R112 G113P78-R112 WeakPolarHBondContact O-CA 3.14Å; P78-R112 WeakPolarHBondContact O-CG 3.37Å; P78-G113 PolarHBondContact O-N 2.68Å
79W98.4Very high96.8Very high0 Ų069.9 Ų69.90%037%0.367CS..EExtended strand (participates in β ladder)trans-89.3142.3170.8-70.183.6000112.3M42 K68 F71 D72 Y75 L76 T97 I110 R112M42-W79 HydrophobicContact CE-CH2 4.04Å; M42-W79 HydrophobicContact CE-CZ2 4.12Å; M42-W79 HydrophobicContact SD-CH2 3.42Å; M42-W79 WeakPolarHBondContact SD-CH2 3.43Å; M42-W79 HydrophobicContact SD-CZ2 4.09Å; M42-W79 HydrophobicContact SD-CZ3 4.31Å; K68-W79 WeakPolarHBondContact CE-O 3.25Å; K68-W79 WeakPolarHBondContact CG-O 3.36Å; K68-W79 PolarHBondContact NZ-O 2.79Å; F71-W79 VanDerWaalsContact C-CD1 3.5Å; F71-W79 HydrophobicContact CB-CB 3.95Å; F71-W79 HydrophobicContact CB-CD2 3.82Å; F71-W79 HydrophobicContact CB-CE3 4.34Å; F71-W79 HydrophobicContact CB-CG 3.6Å; F71-W79 AromaticContact CD1-CD2 3.7Å; F71-W79 HydrophobicContact CD1-CD2 3.7Å; F71-W79 AromaticContact CD1-CE2 3.93Å; F71-W79 AromaticContact CD1-CE3 3.59Å; F71-W79 HydrophobicContact CD1-CE3 3.59Å; F71-W79 HydrophobicContact CD1-CG 4.41Å; F71-W79 AromaticContact CD1-CH2 4Å; F71-W79 HydrophobicContact CD1-CH2 4Å; F71-W79 HydrophobicContact CD1-CZ2 4.09Å; F71-W79 AromaticContact CD1-CZ3 3.74Å; F71-W79 HydrophobicContact CD1-CZ3 3.74Å; F71-W79 HydrophobicContact CE1-CE3 4.38Å; F71-W79 HydrophobicContact CE1-CH2 4.33Å; F71-W79 HydrophobicContact CE1-CZ3 4.13Å; F71-W79 HydrophobicContact CG-CD2 4.21Å; F71-W79 HydrophobicContact CG-CE3 4.3Å; F71-W79 HydrophobicContact CG-CG 4.47Å; F71-W79 PolarHBondContact O-NE1 3.1Å; D72-W79 WeakPolarHBondContact OD1-CB 3.38Å; D72-W79 PolarHBondContact OD1-N 2.91Å; Y75-W79 HydrophobicContact CG-CZ2 4.38Å; Y75-W79 PolarHBondContact O-NE1 2.82Å; L76-W79 PolarHBondContact O-NE1 2.73Å; W79-T97 HydrophobicContact CH2-CG2 4.27Å; W79-T97 VanDerWaalsContact CZ3-O 3.25Å; W79-T97 WeakPolarHBondContact CZ3-O 3.41Å; W79-I110 HydrophobicContact CE3-CG2 3.7Å; W79-I110 HydrophobicContact CZ3-CG2 3.74Å; W79-R112 HydrophobicContact CD2-CB 4.25Å; W79-R112 HydrophobicContact CE3-CB 4.34Å; W79-R112 HydrophobicContact CH2-CB 4.29Å; W79-R112 HydrophobicContact CZ2-CB 4.21Å; W79-R112 HydrophobicContact CZ3-CB 4.36Å
80H98.3Very high96.5Very high80 Ų8071 Ų7137%0.3738%0.375SS..EExtended strand (participates in β ladder)trans-119.6130.8174.6-61.9-88000109.5F111H80-F111 HydrophobicContact CB-CD1 3.91Å; H80-F111 HydrophobicContact CB-CD2 4.15Å; H80-F111 HydrophobicContact CB-CE1 3.45Å; H80-F111 VanDerWaalsContact CB-CE1 3.45Å; H80-F111 HydrophobicContact CB-CE2 3.71Å; H80-F111 HydrophobicContact CB-CG 4.25Å; H80-F111 HydrophobicContact CB-CZ 3.33Å; H80-F111 AromaticContact CD2-CE2 3.58Å; H80-F111 AromaticContact CG-CE2 3.75Å; H80-F111 AromaticContact CG-CZ 3.69Å; H80-F111 PolarHBondContact N-O 3.37Å; H80-F111 PolarHBondContact O-N 2.71Å
81I98.6Very high96.1Very high23 Ų2370.4 Ų70.412%0.11838%0.376CS..EExtended strand (participates in β ladder)trans-125.5126.9-179.1-46.8-63.4000108.7A64 I67 K68 V83 L109 I110A64-I81 HydrophobicContact CB-CB 4.19Å; A64-I81 HydrophobicContact CB-CG2 4.1Å; I67-I81 HydrophobicContact CB-CD1 4.47Å; I67-I81 HydrophobicContact CB-CG1 4.29Å; I67-I81 HydrophobicContact CB-CG2 4.19Å; I67-I81 HydrophobicContact CD1-CG2 4.36Å; I67-I81 HydrophobicContact CG2-CD1 3.78Å; I67-I81 HydrophobicContact CG2-CG1 4.14Å; I67-I81 HydrophobicContact CG2-CG2 4.29Å; K68-I81 HydrophobicContact CB-CG1 3.65Å; K68-I81 HydrophobicContact CG-CG1 4.26Å; I81-V83 HydrophobicContact CG2-CG2 4.03Å; I81-L109 WeakPolarHBondContact CA-O 3.3Å; I81-I110 HydrophobicContact CD1-CB 4.01Å; I81-I110 HydrophobicContact CD1-CD1 4.06Å; I81-I110 HydrophobicContact CD1-CG1 3.67Å; I81-I110 HydrophobicContact CD1-CG2 3.63Å; I81-I110 HydrophobicContact CG2-CG1 4.33Å
82I98.3Very high95.8Very high65 Ų6575.6 Ų75.633%0.33341%0.408SS..EExtended strand (participates in β ladder)trans-117.3131.7170-49.1-176.6000107.9F87 F108 L109I82-F87 HydrophobicContact CG2-CD1 4.36Å; I82-F87 HydrophobicContact CG2-CD2 4.36Å; I82-F87 HydrophobicContact CG2-CE1 4.27Å; I82-F87 HydrophobicContact CG2-CE2 4.29Å; I82-F87 HydrophobicContact CG2-CG 4.39Å; I82-F87 HydrophobicContact CG2-CZ 4.24Å; I82-F108 WeakPolarHBondContact O-CA 3.37Å; I82-L109 HydrophobicContact CB-CB 4.1Å; I82-L109 HydrophobicContact CD1-CD2 3.78Å; I82-L109 HydrophobicContact CG1-CD2 4.27Å; I82-L109 PolarHBondContact N-O 3.37Å; I82-L109 PolarHBondContact O-N 3.42Å
83V98.7Very high95.6Very high14 Ų1476.2 Ų76.29%0.08541%0.409CS..EExtended strand (participates in β ladder)trans-125.9131.3176.7-175.10000107.6E60 M63 A64 I81 M106 A107 F108E60-V83 HydrophobicContact CB-CB 4.24Å; E60-V83 HydrophobicContact CB-CG1 4.23Å; E60-V83 HydrophobicContact CG-CG1 4.32Å; M63-V83 HydrophobicContact CB-CG1 4.33Å; M63-V83 HydrophobicContact CB-CG2 4.22Å; M63-V83 HydrophobicContact SD-CG1 3.99Å; A64-V83 HydrophobicContact CB-CG2 3.93Å; I81-V83 HydrophobicContact CG2-CG2 4.03Å; V83-M106 HydrophobicContact CG1-CG 3.43Å; V83-M106 VanDerWaalsContact CG1-CG 3.43Å; V83-M106 HydrophobicContact CG1-SD 3.76Å; V83-A107 WeakPolarHBondContact CA-O 3.43Å; V83-F108 HydrophobicContact CB-CD1 4.44Å; V83-F108 HydrophobicContact CB-CE1 4.34Å; V83-F108 HydrophobicContact CG1-CD1 4.18Å; V83-F108 HydrophobicContact CG1-CE1 3.72Å; V83-F108 HydrophobicContact CG1-CZ 4Å; V83-F108 HydrophobicContact CG2-CD1 3.62Å; V83-F108 HydrophobicContact CG2-CE1 3.66Å
84G98.1Very high95.4Very high6 Ų674.6 Ų74.66%0.06239%0.39CS..EExtended strand (participates in β ladder)trans179.7163.3177.200000113.7M106 A107G84-M106 VanDerWaalsContact CA-SD 3.55Å; G84-A107 PolarHBondContact N-O 3.06Å; G84-A107 WeakPolarHBondContact O-CA 3.46Å; G84-A107 VanDerWaalsContact O-CB 3.32Å; G84-A107 WeakPolarHBondContact O-CB 3.28Å; G84-A107 PolarHBondContact O-N 3.19Å
85R96.2Very high95.1Very high160 Ų16075.7 Ų75.760%0.60440%0.403SS*.SBendtrans-79.6-30.4179-62179.2-176.2-122.5-0.3113.5N105 M106R85-N105 PolarHBondContact NH1-ND2 2.99Å; R85-M106 HydrophobicContact CG-CE 4.26Å; R85-M106 HydrophobicContact CG-SD 4.07Å
86K91Very high95Very high202 Ų20277.2 Ų77.288%0.87842%0.419SS*.SBendtrans-149.9115.3-177.4-64.1-176-179-179.80109.2
87F95.1Very high95.1Very high61 Ų6172 Ų7227%0.26839%0.392SS..  trans-155.1159.9170.761.7-92000110I82 Y100 A107 L109I82-F87 HydrophobicContact CG2-CD1 4.36Å; I82-F87 HydrophobicContact CG2-CD2 4.36Å; I82-F87 HydrophobicContact CG2-CE1 4.27Å; I82-F87 HydrophobicContact CG2-CE2 4.29Å; I82-F87 HydrophobicContact CG2-CG 4.39Å; I82-F87 HydrophobicContact CG2-CZ 4.24Å; F87-Y100 HydrophobicContact CE1-CE2 4.43Å; F87-Y100 HydrophobicContact CE2-CD2 4.47Å; F87-Y100 HydrophobicContact CE2-CE2 4.01Å; F87-Y100 HydrophobicContact CZ-CD2 4.21Å; F87-Y100 AromaticContact CZ-CE2 3.63Å; F87-Y100 HydrophobicContact CZ-CE2 3.63Å; F87-A107 HydrophobicContact CE1-CB 3.74Å; F87-A107 HydrophobicContact CZ-CB 4.2Å; F87-L109 HydrophobicContact CE2-CB 3.91Å; F87-L109 HydrophobicContact CE2-CD2 4.37Å; F87-L109 HydrophobicContact CZ-CB 3.9Å
88G91Very high95.1Very high79 Ų7969.8 Ų69.881%0.81438%0.375SS*.  trans-117.6149.6163.900000108.9
89S90.4Very high95.1Very high59 Ų5968.1 Ų68.141%0.41336%0.364SS..  trans-141.7142.7179.264.60000111.1L109S89-L109 WeakPolarHBondContact OG-CD2 3.21Å
90H92.2Very high95Very high190 Ų19070.8 Ų70.888%0.8838%0.375SS*.  trans-131.4109.4164.8-171.684.2000106.7
91V91.3Very high95Very high45 Ų4567 Ų6727%0.27336%0.357SS..  trans-133.3142.3-171.8-60.60000110.6H93 F98 F111V91-H93 PolarHBondContact O-ND1 3.31Å; V91-F98 HydrophobicContact CG2-CD2 4.39Å; V91-F98 HydrophobicContact CG2-CE2 3.82Å; V91-F111 HydrophobicContact CB-CE1 4.3Å; V91-F111 HydrophobicContact CB-CE2 4.11Å; V91-F111 HydrophobicContact CB-CZ 3.97Å; V91-F111 HydrophobicContact CG1-CE1 4Å; V91-F111 HydrophobicContact CG1-CE2 4.45Å; V91-F111 HydrophobicContact CG1-CZ 3.81Å; V91-F111 HydrophobicContact CG2-CD1 4.1Å; V91-F111 HydrophobicContact CG2-CD2 4.28Å; V91-F111 HydrophobicContact CG2-CE1 4.11Å; V91-F111 HydrophobicContact CG2-CE2 4.3Å; V91-F111 HydrophobicContact CG2-CG 4.18Å; V91-F111 HydrophobicContact CG2-CZ 4.21Å
92T92.6Very high94.9Very high109 Ų10968.2 Ų68.267%0.66936%0.363SS*.  trans-89134.3166.3-54.50000108.4I114T92-I114 HydrophobicContact CG2-CD1 3.61Å; T92-I114 HydrophobicContact CG2-CG1 4.29Å
93H93.1Very high94.9Very high54 Ų5465.1 Ų65.125%0.2535%0.348CS..  trans-148159.7-174.456.5-88.5000110.1V91 F98 F111 R112 I114V91-H93 PolarHBondContact O-ND1 3.31Å; H93-F98 HydrophobicContact CB-CD2 4.44Å; H93-F98 WeakPolarHBondContact CD2-CB 3.4Å; H93-F98 AromaticContact CD2-CD2 3.89Å; H93-F98 AromaticContact CD2-CG 3.9Å; H93-F98 AromaticContact CE1-CD2 3.48Å; H93-F98 VanDerWaalsContact CE1-CD2 3.48Å; H93-F98 WeakPolarHBondContact CE1-CD2 3.47Å; H93-F98 AromaticContact CE1-CG 3.77Å; H93-F98 AromaticContact CG-CD2 3.7Å; H93-F98 AromaticContact ND1-CD2 3.47Å; H93-F98 WeakPolarHBondContact ND1-CD2 3.48Å; H93-F98 WeakPolarHBondContact NE2-CB 3.4Å; H93-F98 AromaticContact NE2-CD2 3.74Å; H93-F98 AromaticContact NE2-CG 3.6Å; H93-F111 HydrophobicContact CB-CB 3.89Å; H93-F111 HydrophobicContact CB-CD2 3.83Å; H93-F111 HydrophobicContact CB-CG 4.25Å; H93-R112 WeakPolarHBondContact CA-O 3.39Å; H93-R112 VanDerWaalsContact CB-O 3.3Å; H93-R112 WeakPolarHBondContact CB-O 3.49Å; H93-I114 WeakPolarHBondContact O-CD1 3.49Å
94E94.1Very high94.8Very high75 Ų7566.3 Ų66.335%0.3536%0.363SS..  trans-72144.8176.1-167.817716200111.7T97 R112 I114E94-T97 HydrophobicContact CB-CG2 4.23Å; E94-T97 PolarHBondContact O-N 3.33Å; E94-T97 PolarHBondContact O-OG1 2.83Å; E94-R112 PolarHBondContact N-O 3.17Å; E94-R112 IonicContact OE1-CZ 2.64Å; E94-R112 IonicContact OE1-NH2 2.74Å; E94-R112 PolarHBondContact OE1-NH2 3.35Å; E94-R112 IonicContact OE2-CZ 3.87Å; E94-R112 IonicContact OE2-NE 2.61Å; E94-R112 PolarHBondContact OE2-NE 3.27Å; E94-R112 IonicContact OE2-NH2 3.96Å; E94-R112 PolarHBondContact OE2-NH2 2.97Å; E94-I114 HydrophobicContact CB-CG1 4.35Å
95V93.5Very high94.7Very high114 Ų11470.7 Ų70.769%0.69139%0.385SS*.THydrogen-bonded Turntrans-55.7140.7178.8-179.70000111T97V95-T97 PolarHBondContact O-N 2.84Å
96S95.6Very high94.8Very high63 Ų6363.5 Ų63.544%0.44136%0.358SS..THydrogen-bonded Turntrans62.326.9178-58.50000115D37D37-S96 CarbonylContact O-C 3.58Å; D37-S96 WeakPolarHBondContact O-CA 3.33Å; D37-S96 VanDerWaalsContact OD1-CA 3.31Å; D37-S96 WeakPolarHBondContact OD1-CA 3.25Å; D37-S96 PolarHBondContact OD1-N 2.64Å; D37-S96 PolarHBondContact OD1-OG 2.98Å; D37-S96 PolarHBondContact OD2-N 3.36Å
97T96.3Very high95.1Very high7 Ų754.1 Ų54.14%0.04332%0.318CS..  trans-128.216.4176.871.10000114.4D37 W79 E94 V95 F111 R112D37-T97 PolarHBondContact O-N 2.87Å; W79-T97 HydrophobicContact CH2-CG2 4.27Å; W79-T97 VanDerWaalsContact CZ3-O 3.25Å; W79-T97 WeakPolarHBondContact CZ3-O 3.41Å; E94-T97 HydrophobicContact CB-CG2 4.23Å; E94-T97 PolarHBondContact O-N 3.33Å; E94-T97 PolarHBondContact O-OG1 2.83Å; V95-T97 PolarHBondContact O-N 2.84Å; T97-F111 VanDerWaalsContact O-CA 3.25Å; T97-F111 WeakPolarHBondContact O-CA 3.28Å; T97-R112 HydrophobicContact CG2-CB 3.94Å; T97-R112 PolarHBondContact O-N 2.93Å; T97-R112 WeakPolarHBondContact OG1-CB 3.34Å; T97-R112 PolarHBondContact OG1-N 3.4Å
98F96.5Very high95.3Very high24 Ų2451.2 Ų51.211%0.10531%0.305CS..EExtended strand (participates in β ladder)trans-121135.2-170.3179.5-81.4000113.6V35 D37 M38 V91 H93 L109 I110 F111V35-F98 HydrophobicContact CB-CE1 4.05Å; V35-F98 HydrophobicContact CG1-CD1 4Å; V35-F98 HydrophobicContact CG1-CE1 3.79Å; D37-F98 CarbonylContact C-O 3.3Å; D37-F98 VanDerWaalsContact C-O 3.3Å; D37-F98 WeakPolarHBondContact CA-O 3.4Å; D37-F98 PolarHBondContact N-O 2.76Å; D37-F98 PolarHBondContact O-N 3.45Å; M38-F98 VanDerWaalsContact CE-C 3.44Å; V91-F98 HydrophobicContact CG2-CD2 4.39Å; V91-F98 HydrophobicContact CG2-CE2 3.82Å; H93-F98 HydrophobicContact CB-CD2 4.44Å; H93-F98 WeakPolarHBondContact CD2-CB 3.4Å; H93-F98 AromaticContact CD2-CD2 3.89Å; H93-F98 AromaticContact CD2-CG 3.9Å; H93-F98 AromaticContact CE1-CD2 3.48Å; H93-F98 VanDerWaalsContact CE1-CD2 3.48Å; H93-F98 WeakPolarHBondContact CE1-CD2 3.47Å; H93-F98 AromaticContact CE1-CG 3.77Å; H93-F98 AromaticContact CG-CD2 3.7Å; H93-F98 AromaticContact ND1-CD2 3.47Å; H93-F98 WeakPolarHBondContact ND1-CD2 3.48Å; H93-F98 WeakPolarHBondContact NE2-CB 3.4Å; H93-F98 AromaticContact NE2-CD2 3.74Å; H93-F98 AromaticContact NE2-CG 3.6Å; F98-L109 HydrophobicContact CE1-CD1 4.28Å; F98-L109 HydrophobicContact CE2-CD1 3.55Å; F98-L109 HydrophobicContact CE2-CG 4.43Å; F98-L109 HydrophobicContact CZ-CD1 3.38Å; F98-I110 CarbonylContact C-O 2.93Å; F98-I110 WeakPolarHBondContact CA-O 3.35Å; F98-F111 HydrophobicContact CB-CB 4.48Å; F98-F111 HydrophobicContact CD2-CB 3.65Å; F98-F111 HydrophobicContact CD2-CG 4.5Å; F98-F111 HydrophobicContact CE2-CB 4.39Å; F98-F111 HydrophobicContact CG-CB 4.46Å
99A97.1Very high95.6Very high0 Ų047.5 Ų47.50%027%0.267CS..EExtended strand (participates in β ladder)trans-147.3147.6167.500000112.4V35 M38 I43 F101 I110V35-A99 WeakPolarHBondContact O-CA 3.4Å; M38-A99 HydrophobicContact CE-CB 3.36Å; M38-A99 HydrophobicContact CG-CB 4.31Å; M38-A99 HydrophobicContact SD-CB 3.73Å; I43-A99 HydrophobicContact CD1-CB 3.74Å; A99-F101 HydrophobicContact CB-CD1 4.48Å; A99-I110 PolarHBondContact N-O 3.03Å; A99-I110 PolarHBondContact O-N 2.93Å
100Y97.1Very high96Very high57 Ų5744.7 Ų44.722%0.22425%0.247CC..EExtended strand (participates in β ladder)trans-129.3119.4169.3177.8-122.4000109.4M34 V35 F87 A107 F108 L109M34-Y100 HydrophobicContact CB-CD1 3.42Å; M34-Y100 VanDerWaalsContact CB-CD1 3.42Å; M34-Y100 HydrophobicContact CB-CE1 3.87Å; M34-Y100 HydrophobicContact CB-CG 4.34Å; M34-Y100 WeakPolarHBondContact CB-O 3.36Å; M34-Y100 HydrophobicContact CG-CD1 3.78Å; M34-Y100 HydrophobicContact CG-CE1 3.71Å; M34-Y100 PolarHBondContact N-O 2.88Å; V35-Y100 PolarHBondContact N-O 3.17Å; V35-Y100 VanDerWaalsContact N-O 3.1Å; V35-Y100 PolarHBondContact O-N 3.34Å; F87-Y100 HydrophobicContact CE1-CE2 4.43Å; F87-Y100 HydrophobicContact CE2-CD2 4.47Å; F87-Y100 HydrophobicContact CE2-CE2 4.01Å; F87-Y100 HydrophobicContact CZ-CD2 4.21Å; F87-Y100 AromaticContact CZ-CE2 3.63Å; F87-Y100 HydrophobicContact CZ-CE2 3.63Å; Y100-A107 HydrophobicContact CE2-CB 3.79Å; Y100-F108 WeakPolarHBondContact CA-O 3.37Å; Y100-F108 WeakPolarHBondContact CD2-O 3.49Å; Y100-L109 HydrophobicContact CD2-CB 4.3Å; Y100-L109 HydrophobicContact CD2-CD1 4.16Å; Y100-L109 HydrophobicContact CG-CD1 4.38Å
101F97.3Very high96.3Very high0 Ų036.5 Ų36.50%021%0.209CC..EExtended strand (participates in β ladder)trans-144.4159-178.965.4-87.9000112.1L31 T32 I33 I43 A46 V47 A50 A99 L103 A107 F108 I110L31-F101 HydrophobicContact CD1-CB 4.32Å; L31-F101 HydrophobicContact CD1-CD2 3.78Å; L31-F101 HydrophobicContact CD1-CG 4.39Å; T32-F101 CarbonylContact O-C 3.52Å; T32-F101 VanDerWaalsContact O-CA 3.3Å; T32-F101 WeakPolarHBondContact O-CA 3.33Å; T32-F101 WeakPolarHBondContact O-CB 3.31Å; I33-F101 HydrophobicContact CB-CB 4.47Å; I33-F101 HydrophobicContact CG1-CB 4.23Å; I43-F101 HydrophobicContact CD1-CD1 4Å; I43-F101 HydrophobicContact CD1-CE1 4.26Å; A46-F101 HydrophobicContact CB-CE1 4.01Å; A46-F101 HydrophobicContact CB-CZ 4.24Å; V47-F101 HydrophobicContact CG2-CD2 4.28Å; V47-F101 HydrophobicContact CG2-CE2 4.1Å; V47-F101 HydrophobicContact CG2-CZ 4.32Å; A50-F101 HydrophobicContact CB-CE2 3.79Å; A50-F101 HydrophobicContact CB-CZ 3.86Å; A99-F101 HydrophobicContact CB-CD1 4.48Å; F101-L103 HydrophobicContact CE2-CB 4.46Å; F101-A107 WeakPolarHBondContact O-CA 3.48Å; F101-F108 HydrophobicContact CD1-CB 4.23Å; F101-F108 HydrophobicContact CD2-CB 4.22Å; F101-F108 HydrophobicContact CD2-CD2 4.28Å; F101-F108 HydrophobicContact CE1-CB 3.79Å; F101-F108 HydrophobicContact CE2-CB 3.78Å; F101-F108 AromaticContact CE2-CD2 3.78Å; F101-F108 HydrophobicContact CE2-CD2 3.78Å; F101-F108 AromaticContact CE2-CG 3.88Å; F101-F108 HydrophobicContact CE2-CG 3.88Å; F101-F108 HydrophobicContact CG-CB 4.43Å; F101-F108 HydrophobicContact CZ-CB 3.55Å; F101-F108 HydrophobicContact CZ-CD2 4.3Å; F101-F108 AromaticContact CZ-CG 3.91Å; F101-F108 HydrophobicContact CZ-CG 3.91Å; F101-F108 PolarHBondContact N-O 3Å; F101-F108 PolarHBondContact O-N 3.45Å; F101-I110 HydrophobicContact CE1-CD1 4.03Å; F101-I110 HydrophobicContact CE1-CG1 4.5Å; F101-I110 HydrophobicContact CZ-CD1 4.38Å
102I97.6Very high96.6Very high49 Ų4936.2 Ų36.225%0.25120%0.203SC..EExtended strand (participates in β ladder)trans-115127.3177.2-58.7173.2000107.9L31 T32 M34 M106 A107L31-I102 CarbonylContact C-O 3.6Å; L31-I102 WeakPolarHBondContact CA-O 3.49Å; T32-I102 PolarHBondContact N-O 3.33Å; T32-I102 PolarHBondContact O-N 3.22Å; M34-I102 HydrophobicContact CG-CD1 4.48Å; I102-M106 CarbonylContact C-O 3.58Å; I102-M106 WeakPolarHBondContact CA-O 3.15Å; I102-A107 HydrophobicContact CG1-CB 4.08Å
103L98.1Very high96.6Very high0 Ų031.4 Ų31.40%018%0.175CC..EExtended strand (participates in β ladder)trans-120.2113.9173.6-173.860.9000109.7T27 K29 K30 L31 A50 D51 L54 F101 N105 M106 F108T27-L103 HydrophobicContact CG2-CD1 3.74Å; K29-L103 HydrophobicContact CB-CD1 3.7Å; K29-L103 HydrophobicContact CB-CG 4.07Å; K29-L103 HydrophobicContact CD-CG 4.33Å; K30-L103 WeakPolarHBondContact O-CA 3.43Å; L31-L103 HydrophobicContact CB-CD1 4.16Å; L31-L103 HydrophobicContact CD1-CD1 4.31Å; A50-L103 HydrophobicContact CB-CD2 4.02Å; D51-L103 HydrophobicContact CB-CD2 3.92Å; L54-L103 HydrophobicContact CD1-CB 4.1Å; L54-L103 HydrophobicContact CD1-CD2 3.74Å; L54-L103 HydrophobicContact CD1-CG 3.78Å; F101-L103 HydrophobicContact CE2-CB 4.46Å; L103-N105 PolarHBondContact O-N 3.11Å; L103-N105 VanDerWaalsContact O-N 3.1Å; L103-M106 PolarHBondContact N-O 3.26Å; L103-M106 PolarHBondContact O-N 3.32Å; L103-M106 VanDerWaalsContact O-N 3.13Å; L103-F108 HydrophobicContact CB-CD2 4.37Å; L103-F108 HydrophobicContact CB-CE2 4.06Å
104G96.7Very high96.5Very high39 Ų3934 Ų3440%0.40219%0.19SC..THydrogen-bonded Turntrans65-107-170.800000111.2K30K30-G104 PolarHBondContact O-N 3.48Å
105N95.9Very high95.5Very high98 Ų9841.6 Ų41.652%0.52423%0.225SC..THydrogen-bonded Turntrans-118.812.217867.1-2.8000113.1R85 L103R85-N105 PolarHBondContact NH1-ND2 2.99Å; L103-N105 PolarHBondContact O-N 3.11Å; L103-N105 VanDerWaalsContact O-N 3.1Å
106M98.1Very high95.6Very high9 Ų938 Ų384%0.04420%0.202CC..EExtended strand (participates in β ladder)trans-115.9132.7-177-166.364.874.100109.8L54 E60 V83 G84 R85 I102 L103 F108L54-M106 HydrophobicContact CD2-CB 3.9Å; L54-M106 HydrophobicContact CD2-CG 4.2Å; E60-M106 HydrophobicContact CG-CE 3.87Å; E60-M106 HydrophobicContact CG-SD 4.1Å; V83-M106 HydrophobicContact CG1-CG 3.43Å; V83-M106 VanDerWaalsContact CG1-CG 3.43Å; V83-M106 HydrophobicContact CG1-SD 3.76Å; G84-M106 VanDerWaalsContact CA-SD 3.55Å; R85-M106 HydrophobicContact CG-CE 4.26Å; R85-M106 HydrophobicContact CG-SD 4.07Å; I102-M106 CarbonylContact C-O 3.58Å; I102-M106 WeakPolarHBondContact CA-O 3.15Å; L103-M106 PolarHBondContact N-O 3.26Å; L103-M106 PolarHBondContact O-N 3.32Å; L103-M106 VanDerWaalsContact O-N 3.13Å; M106-F108 HydrophobicContact CB-CE2 3.8Å; M106-F108 HydrophobicContact CB-CZ 4.28Å; M106-F108 HydrophobicContact CG-CD2 4.47Å; M106-F108 HydrophobicContact CG-CE2 3.74Å; M106-F108 HydrophobicContact CG-CZ 3.88Å
107A98.2Very high95.6Very high4 Ų436.7 Ų36.73%0.03319%0.19CC..EExtended strand (participates in β ladder)trans-97.8143174.800000110.4V83 G84 F87 Y100 F101 I102V83-A107 WeakPolarHBondContact CA-O 3.43Å; G84-A107 PolarHBondContact N-O 3.06Å; G84-A107 WeakPolarHBondContact O-CA 3.46Å; G84-A107 VanDerWaalsContact O-CB 3.32Å; G84-A107 WeakPolarHBondContact O-CB 3.28Å; G84-A107 PolarHBondContact O-N 3.19Å; F87-A107 HydrophobicContact CE1-CB 3.74Å; F87-A107 HydrophobicContact CZ-CB 4.2Å; Y100-A107 HydrophobicContact CE2-CB 3.79Å; F101-A107 WeakPolarHBondContact O-CA 3.48Å; I102-A107 HydrophobicContact CG1-CB 4.08Å
108F98.6Very high95.5Very high0 Ų038.3 Ų38.30%020%0.198CC..EExtended strand (participates in β ladder)trans-125.9125-179-65.9-96.7000108.5A50 L54 I67 I82 V83 Y100 F101 L103 M106A50-F108 HydrophobicContact CB-CD1 3.9Å; A50-F108 HydrophobicContact CB-CD2 4.18Å; A50-F108 HydrophobicContact CB-CE1 3.7Å; A50-F108 HydrophobicContact CB-CE2 3.98Å; A50-F108 HydrophobicContact CB-CG 4.15Å; A50-F108 HydrophobicContact CB-CZ 3.75Å; L54-F108 HydrophobicContact CD1-CE2 4.23Å; L54-F108 HydrophobicContact CD1-CZ 4.26Å; L54-F108 HydrophobicContact CD2-CZ 4.21Å; L54-F108 HydrophobicContact CG-CE2 4.48Å; L54-F108 HydrophobicContact CG-CZ 4.03Å; I67-F108 HydrophobicContact CD1-CD1 3.78Å; I67-F108 HydrophobicContact CD1-CE1 3.69Å; I82-F108 WeakPolarHBondContact O-CA 3.37Å; V83-F108 HydrophobicContact CB-CD1 4.44Å; V83-F108 HydrophobicContact CB-CE1 4.34Å; V83-F108 HydrophobicContact CG1-CD1 4.18Å; V83-F108 HydrophobicContact CG1-CE1 3.72Å; V83-F108 HydrophobicContact CG1-CZ 4Å; V83-F108 HydrophobicContact CG2-CD1 3.62Å; V83-F108 HydrophobicContact CG2-CE1 3.66Å; Y100-F108 WeakPolarHBondContact CA-O 3.37Å; Y100-F108 WeakPolarHBondContact CD2-O 3.49Å; F101-F108 HydrophobicContact CD1-CB 4.23Å; F101-F108 HydrophobicContact CD2-CB 4.22Å; F101-F108 HydrophobicContact CD2-CD2 4.28Å; F101-F108 HydrophobicContact CE1-CB 3.79Å; F101-F108 HydrophobicContact CE2-CB 3.78Å; F101-F108 AromaticContact CE2-CD2 3.78Å; F101-F108 HydrophobicContact CE2-CD2 3.78Å; F101-F108 AromaticContact CE2-CG 3.88Å; F101-F108 HydrophobicContact CE2-CG 3.88Å; F101-F108 HydrophobicContact CG-CB 4.43Å; F101-F108 HydrophobicContact CZ-CB 3.55Å; F101-F108 HydrophobicContact CZ-CD2 4.3Å; F101-F108 AromaticContact CZ-CG 3.91Å; F101-F108 HydrophobicContact CZ-CG 3.91Å; F101-F108 PolarHBondContact N-O 3Å; F101-F108 PolarHBondContact O-N 3.45Å; L103-F108 HydrophobicContact CB-CD2 4.37Å; L103-F108 HydrophobicContact CB-CE2 4.06Å; M106-F108 HydrophobicContact CB-CE2 3.8Å; M106-F108 HydrophobicContact CB-CZ 4.28Å; M106-F108 HydrophobicContact CG-CD2 4.47Å; M106-F108 HydrophobicContact CG-CE2 3.74Å; M106-F108 HydrophobicContact CG-CZ 3.88Å
109L98.3Very high95.5Very high1 Ų139.2 Ų39.21%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-112.9125.6167.9-177.375.4000107.9I81 I82 F87 S89 F98 Y100 F111I81-L109 WeakPolarHBondContact CA-O 3.3Å; I82-L109 HydrophobicContact CB-CB 4.1Å; I82-L109 HydrophobicContact CD1-CD2 3.78Å; I82-L109 HydrophobicContact CG1-CD2 4.27Å; I82-L109 PolarHBondContact N-O 3.37Å; I82-L109 PolarHBondContact O-N 3.42Å; F87-L109 HydrophobicContact CE2-CB 3.91Å; F87-L109 HydrophobicContact CE2-CD2 4.37Å; F87-L109 HydrophobicContact CZ-CB 3.9Å; S89-L109 WeakPolarHBondContact OG-CD2 3.21Å; F98-L109 HydrophobicContact CE1-CD1 4.28Å; F98-L109 HydrophobicContact CE2-CD1 3.55Å; F98-L109 HydrophobicContact CE2-CG 4.43Å; F98-L109 HydrophobicContact CZ-CD1 3.38Å; Y100-L109 HydrophobicContact CD2-CB 4.3Å; Y100-L109 HydrophobicContact CD2-CD1 4.16Å; Y100-L109 HydrophobicContact CG-CD1 4.38Å; L109-F111 HydrophobicContact CD2-CD1 4.11Å; L109-F111 HydrophobicContact CD2-CE1 4.1Å; L109-F111 HydrophobicContact CG-CD1 4.17Å
110I98.6Very high95.4Very high0 Ų041.6 Ų41.60%022%0.216CC..EExtended strand (participates in β ladder)trans-129.4126.1-178.7-60.6-173.1000107.5M38 A46 I67 F71 W79 I81 F98 A99 F101M38-I110 HydrophobicContact CE-CG2 4.45Å; A46-I110 HydrophobicContact CB-CD1 3.72Å; I67-I110 HydrophobicContact CG2-CD1 3.84Å; F71-I110 HydrophobicContact CD1-CG2 4.19Å; F71-I110 HydrophobicContact CE1-CG2 4.1Å; W79-I110 HydrophobicContact CE3-CG2 3.7Å; W79-I110 HydrophobicContact CZ3-CG2 3.74Å; I81-I110 HydrophobicContact CD1-CB 4.01Å; I81-I110 HydrophobicContact CD1-CD1 4.06Å; I81-I110 HydrophobicContact CD1-CG1 3.67Å; I81-I110 HydrophobicContact CD1-CG2 3.63Å; I81-I110 HydrophobicContact CG2-CG1 4.33Å; F98-I110 CarbonylContact C-O 2.93Å; F98-I110 WeakPolarHBondContact CA-O 3.35Å; A99-I110 PolarHBondContact N-O 3.03Å; A99-I110 PolarHBondContact O-N 2.93Å; F101-I110 HydrophobicContact CE1-CD1 4.03Å; F101-I110 HydrophobicContact CE1-CG1 4.5Å; F101-I110 HydrophobicContact CZ-CD1 4.38Å
111F97.6Very high95.3Very high18 Ų1840.6 Ų40.68%0.07922%0.215CC..EExtended strand (participates in β ladder)trans-152.1152.1176.869.2-84.7000112.8H80 V91 H93 T97 F98 L109H80-F111 HydrophobicContact CB-CD1 3.91Å; H80-F111 HydrophobicContact CB-CD2 4.15Å; H80-F111 HydrophobicContact CB-CE1 3.45Å; H80-F111 VanDerWaalsContact CB-CE1 3.45Å; H80-F111 HydrophobicContact CB-CE2 3.71Å; H80-F111 HydrophobicContact CB-CG 4.25Å; H80-F111 HydrophobicContact CB-CZ 3.33Å; H80-F111 AromaticContact CD2-CE2 3.58Å; H80-F111 AromaticContact CG-CE2 3.75Å; H80-F111 AromaticContact CG-CZ 3.69Å; H80-F111 PolarHBondContact N-O 3.37Å; H80-F111 PolarHBondContact O-N 2.71Å; V91-F111 HydrophobicContact CB-CE1 4.3Å; V91-F111 HydrophobicContact CB-CE2 4.11Å; V91-F111 HydrophobicContact CB-CZ 3.97Å; V91-F111 HydrophobicContact CG1-CE1 4Å; V91-F111 HydrophobicContact CG1-CE2 4.45Å; V91-F111 HydrophobicContact CG1-CZ 3.81Å; V91-F111 HydrophobicContact CG2-CD1 4.1Å; V91-F111 HydrophobicContact CG2-CD2 4.28Å; V91-F111 HydrophobicContact CG2-CE1 4.11Å; V91-F111 HydrophobicContact CG2-CE2 4.3Å; V91-F111 HydrophobicContact CG2-CG 4.18Å; V91-F111 HydrophobicContact CG2-CZ 4.21Å; H93-F111 HydrophobicContact CB-CB 3.89Å; H93-F111 HydrophobicContact CB-CD2 3.83Å; H93-F111 HydrophobicContact CB-CG 4.25Å; T97-F111 VanDerWaalsContact O-CA 3.25Å; T97-F111 WeakPolarHBondContact O-CA 3.28Å; F98-F111 HydrophobicContact CB-CB 4.48Å; F98-F111 HydrophobicContact CD2-CB 3.65Å; F98-F111 HydrophobicContact CD2-CG 4.5Å; F98-F111 HydrophobicContact CE2-CB 4.39Å; F98-F111 HydrophobicContact CG-CB 4.46Å; L109-F111 HydrophobicContact CD2-CD1 4.11Å; L109-F111 HydrophobicContact CD2-CE1 4.1Å; L109-F111 HydrophobicContact CG-CD1 4.17Å
112R97.5Very high95.1Very high39 Ų3943.5 Ų43.515%0.14723%0.231CC..EExtended strand (participates in β ladder)trans-92.7131.3166.7-166.6164.377.6-174.48.2110.3Y75 L76 P78 W79 H93 E94 T97Y75-R112 PolarHBondContact O-NH1 2.69Å; L76-R112 WeakPolarHBondContact O-CD 3.4Å; P78-R112 WeakPolarHBondContact O-CA 3.14Å; P78-R112 WeakPolarHBondContact O-CG 3.37Å; W79-R112 HydrophobicContact CD2-CB 4.25Å; W79-R112 HydrophobicContact CE3-CB 4.34Å; W79-R112 HydrophobicContact CH2-CB 4.29Å; W79-R112 HydrophobicContact CZ2-CB 4.21Å; W79-R112 HydrophobicContact CZ3-CB 4.36Å; H93-R112 WeakPolarHBondContact CA-O 3.39Å; H93-R112 VanDerWaalsContact CB-O 3.3Å; H93-R112 WeakPolarHBondContact CB-O 3.49Å; E94-R112 PolarHBondContact N-O 3.17Å; E94-R112 IonicContact OE1-CZ 2.64Å; E94-R112 IonicContact OE1-NH2 2.74Å; E94-R112 PolarHBondContact OE1-NH2 3.35Å; E94-R112 IonicContact OE2-CZ 3.87Å; E94-R112 IonicContact OE2-NE 2.61Å; E94-R112 PolarHBondContact OE2-NE 3.27Å; E94-R112 IonicContact OE2-NH2 3.96Å; E94-R112 PolarHBondContact OE2-NH2 2.97Å; T97-R112 HydrophobicContact CG2-CB 3.94Å; T97-R112 PolarHBondContact O-N 2.93Å; T97-R112 WeakPolarHBondContact OG1-CB 3.34Å; T97-R112 PolarHBondContact OG1-N 3.4Å
113G93.2Very high94.9Very high9 Ų943.1 Ų43.19%0.09323%0.229CC..PPolyproline II helixtrans-70.814917500000111.4P78P78-G113 PolarHBondContact O-N 2.68Å
114I89.9Confident94.7Very high107 Ų10746.7 Ų46.755%0.54925%0.248SC..PPolyproline II helixtrans-82.4126.6167.6-52.3-176.5000107.3T92 H93 E94T92-I114 HydrophobicContact CG2-CD1 3.61Å; T92-I114 HydrophobicContact CG2-CG1 4.29Å; H93-I114 WeakPolarHBondContact O-CD1 3.49Å; E94-I114 HydrophobicContact CB-CG1 4.35Å
115E73.5Confident94.5Very high236 Ų23647.4 Ų47.4100%1.10323%0.234SC*.  trans-85.70164.1-83.8-173.3166.700111.7

Retrieved 115 of 115 residues in 111.6 ms (Link to these results)

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