A0A077YY85_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YY85, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 157 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
1M55.5Low67.5Low203 Ų203114.7 Ų114.7100%155%0.545SS*.  0-44.70-150-179.6177.600111.2C3 R4 V5M1-C3 PolarHBondContact O-N 3.33Å; M1-R4 PolarHBondContact O-N 3.34Å; M1-R4 VanDerWaalsContact O-N 3.14Å; M1-V5 PolarHBondContact O-N 2.79Å
2Y64.1Low67.4Low174 Ų174115.8 Ų115.868%0.68256%0.555SS**Hα-helixtrans-49.3-48.2176.8-171.9-108.7000115R4 V5 L6Y2-R4 VanDerWaalsContact C-N 3.29Å; Y2-R4 PolarHBondContact O-N 3.12Å; Y2-V5 PolarHBondContact O-N 3.04Å; Y2-V5 VanDerWaalsContact O-N 3.13Å; Y2-L6 HydrophobicContact CD1-CD1 3.8Å; Y2-L6 HydrophobicContact CD1-CG 4.31Å; Y2-L6 HydrophobicContact CE1-CD1 3.24Å; Y2-L6 HydrophobicContact CE1-CG 3.96Å; Y2-L6 HydrophobicContact CE2-CG 4.42Å; Y2-L6 PolarHBondContact O-N 2.91Å
3C64.7Low67.4Low77 Ų77121.6 Ų121.652%0.5257%0.571SS.*Hα-helixtrans-59.8-35.2-179.6-48.60000113.7M1 Q7M1-C3 PolarHBondContact O-N 3.33Å; C3-Q7 WeakPolarHBondContact O-CB 3.25Å; C3-Q7 VanDerWaalsContact O-CG 3.25Å; C3-Q7 WeakPolarHBondContact O-CG 3.37Å; C3-Q7 PolarHBondContact O-N 3.04Å
4R71.4Confident67.6Low180 Ų180115.4 Ų115.468%0.67956%0.556SS**Hα-helixtrans-69.7-40.9177.1-76-168.9-176.9-174.20.4111.7M1 Y2 Q7 E8M1-R4 PolarHBondContact O-N 3.34Å; M1-R4 VanDerWaalsContact O-N 3.14Å; Y2-R4 VanDerWaalsContact C-N 3.29Å; Y2-R4 PolarHBondContact O-N 3.12Å; R4-Q7 WeakPolarHBondContact O-CB 3.03Å; R4-Q7 PolarHBondContact O-N 3.04Å; R4-E8 WeakPolarHBondContact O-CG 3.49Å; R4-E8 PolarHBondContact O-N 3.16Å
5V72.9Confident68.1Low68 Ų68114.5 Ų114.541%0.41256%0.555SS.*Hα-helixtrans-64.2-42.6177.5178.20000110.7M1 Y2 E8 L9M1-V5 PolarHBondContact O-N 2.79Å; Y2-V5 PolarHBondContact O-N 3.04Å; Y2-V5 VanDerWaalsContact O-N 3.13Å; V5-E8 PolarHBondContact O-N 3.04Å; V5-L9 HydrophobicContact CG1-CD1 4.12Å; V5-L9 HydrophobicContact CG1-CG 4.48Å; V5-L9 WeakPolarHBondContact O-CB 3.49Å; V5-L9 VanDerWaalsContact O-CG 3.32Å; V5-L9 WeakPolarHBondContact O-CG 2.97Å; V5-L9 PolarHBondContact O-N 3.31Å
6L68.8Low68.5Low74 Ų74109.9 Ų109.939%0.38754%0.538SS..Hα-helixtrans-62.5-42.4174.4-71.9-176.4000112.2Y2 E8 L9 E10Y2-L6 HydrophobicContact CD1-CD1 3.8Å; Y2-L6 HydrophobicContact CD1-CG 4.31Å; Y2-L6 HydrophobicContact CE1-CD1 3.24Å; Y2-L6 HydrophobicContact CE1-CG 3.96Å; Y2-L6 HydrophobicContact CE2-CG 4.42Å; Y2-L6 PolarHBondContact O-N 2.91Å; L6-E8 PolarHBondContact O-N 3.1Å; L6-L9 PolarHBondContact O-N 2.78Å; L6-E10 WeakPolarHBondContact O-CB 3.47Å; L6-E10 PolarHBondContact O-N 3.5Å
7Q68.2Low68.8Low79 Ų79108.2 Ų108.237%0.36954%0.537SS..Hα-helixtrans-60.5-43.2175-79170.7-14.600112.3C3 R4 E10 Q11 M57C3-Q7 WeakPolarHBondContact O-CB 3.25Å; C3-Q7 VanDerWaalsContact O-CG 3.25Å; C3-Q7 WeakPolarHBondContact O-CG 3.37Å; C3-Q7 PolarHBondContact O-N 3.04Å; R4-Q7 WeakPolarHBondContact O-CB 3.03Å; R4-Q7 PolarHBondContact O-N 3.04Å; Q7-E10 PolarHBondContact O-N 2.84Å; Q7-Q11 WeakPolarHBondContact O-CB 3.45Å; Q7-Q11 VanDerWaalsContact O-CG 3.28Å; Q7-Q11 WeakPolarHBondContact O-CG 3.3Å; Q7-Q11 PolarHBondContact O-N 3.3Å; Q7-M57 HydrophobicContact CG-CE 3.47Å; Q7-M57 VanDerWaalsContact CG-CE 3.47Å
8E70.8Confident69.5Low112 Ų112104.5 Ų104.552%0.52353%0.526SS..Hα-helixtrans-66.3-40.2177.5-74.1171.2-163.700111.5R4 V5 L6 Q11 L12R4-E8 WeakPolarHBondContact O-CG 3.49Å; R4-E8 PolarHBondContact O-N 3.16Å; V5-E8 PolarHBondContact O-N 3.04Å; L6-E8 PolarHBondContact O-N 3.1Å; E8-Q11 PolarHBondContact O-N 3.46Å; E8-L12 WeakPolarHBondContact O-CB 3.24Å; E8-L12 VanDerWaalsContact O-CG 3.23Å; E8-L12 WeakPolarHBondContact O-CG 3.26Å; E8-L12 PolarHBondContact O-N 3.33Å
9L70Confident70Confident85 Ų85101.2 Ų101.245%0.44551%0.512SS..Hα-helixtrans-65.8-42.3175.3-73.4172.9000112.2V5 L6 Q11 L12 Y13V5-L9 HydrophobicContact CG1-CD1 4.12Å; V5-L9 HydrophobicContact CG1-CG 4.48Å; V5-L9 WeakPolarHBondContact O-CB 3.49Å; V5-L9 VanDerWaalsContact O-CG 3.32Å; V5-L9 WeakPolarHBondContact O-CG 2.97Å; V5-L9 PolarHBondContact O-N 3.31Å; L6-L9 PolarHBondContact O-N 2.78Å; L9-Q11 VanDerWaalsContact C-N 3.31Å; L9-Q11 PolarHBondContact O-N 3.35Å; L9-L12 PolarHBondContact O-N 3.04Å; L9-Y13 HydrophobicContact CD2-CD2 4.12Å; L9-Y13 HydrophobicContact CD2-CE2 4.24Å; L9-Y13 PolarHBondContact O-N 3.18Å
10E66.9Low70.4Confident47 Ų4796.4 Ų96.422%0.2249%0.488CS..Hα-helixtrans-64.5-36.8175.3-170178.1-167.800111.2L6 Q7 G14 N58L6-E10 WeakPolarHBondContact O-CB 3.47Å; L6-E10 PolarHBondContact O-N 3.5Å; Q7-E10 PolarHBondContact O-N 2.84Å; E10-G14 WeakPolarHBondContact O-CA 3.3Å; E10-G14 PolarHBondContact O-N 2.74Å; E10-N58 PolarHBondContact OE1-ND2 2.95Å; E10-N58 VanDerWaalsContact OE1-ND2 3.08Å
11Q69Low70.9Confident163 Ų16398 Ų9876%0.76249%0.494SS*.Hα-helixtrans-69.4-35.9174.6-76.7177.45.500113.5Q7 E8 L9Q7-Q11 WeakPolarHBondContact O-CB 3.45Å; Q7-Q11 VanDerWaalsContact O-CG 3.28Å; Q7-Q11 WeakPolarHBondContact O-CG 3.3Å; Q7-Q11 PolarHBondContact O-N 3.3Å; E8-Q11 PolarHBondContact O-N 3.46Å; L9-Q11 VanDerWaalsContact C-N 3.31Å; L9-Q11 PolarHBondContact O-N 3.35Å
12L66.1Low72.2Confident127 Ų12791 Ų9167%0.66547%0.465SS*.Hα-helixtrans-84.3-33.4-176.2-72.4169.6000113.3E8 L9E8-L12 WeakPolarHBondContact O-CB 3.24Å; E8-L12 VanDerWaalsContact O-CG 3.23Å; E8-L12 WeakPolarHBondContact O-CG 3.26Å; E8-L12 PolarHBondContact O-N 3.33Å; L9-L12 PolarHBondContact O-N 3.04Å
13Y68Low73.1Confident192 Ų19284.6 Ų84.675%0.75344%0.442SS*.Hα-helixtrans-131.4-9.9-170.8-60.8-76.4000114.1L9L9-Y13 HydrophobicContact CD2-CD2 4.12Å; L9-Y13 HydrophobicContact CD2-CE2 4.24Å; L9-Y13 PolarHBondContact O-N 3.18Å
14G69.6Low74Confident35 Ų3581.8 Ų81.836%0.36142%0.424SS..  trans-82.9141.1-17700000112.4E10 S16E10-G14 WeakPolarHBondContact O-CA 3.3Å; E10-G14 PolarHBondContact O-N 2.74Å; G14-S16 VanDerWaalsContact C-N 3.28Å; G14-S16 PolarHBondContact O-N 2.76Å
15D76Confident74.6Confident102 Ų10277.6 Ų77.655%0.54542%0.415SS..  trans-86.576.6165-167.51.7000108.4P17 A18 T19D15-P17 VanDerWaalsContact C-CD 3.41Å; D15-P17 VanDerWaalsContact C-N 3.31Å; D15-P17 VanDerWaalsContact OD1-CD 3.26Å; D15-P17 WeakPolarHBondContact OD1-CD 3.44Å; D15-P17 WeakPolarHBondContact OD1-CG 3.12Å; D15-A18 HydrophobicContact CB-CB 3.91Å; D15-A18 PolarHBondContact O-N 3.38Å; D15-A18 WeakPolarHBondContact OD2-CB 3.47Å; D15-T19 PolarHBondContact O-N 3.08Å; D15-T19 PolarHBondContact O-OG1 3.15Å
16S74.5Confident75.2Confident40 Ų4079 Ų7928%0.2842%0.418SS..Hα-helixtrans-41.6-47.9-179.41740000114.1G14 T19 A20 N58G14-S16 VanDerWaalsContact C-N 3.28Å; G14-S16 PolarHBondContact O-N 2.76Å; S16-T19 PolarHBondContact O-N 2.8Å; S16-A20 WeakPolarHBondContact O-CB 3.46Å; S16-A20 PolarHBondContact O-N 3.42Å; S16-N58 WeakPolarHBondContact CB-OD1 3.44Å; S16-N58 PolarHBondContact OG-OD1 3.04Å
17P74.2Confident75.9Confident82 Ų8275.6 Ų75.653%0.53240%0.4SS..Hα-helixtrans-67.5-38.3177.626-34000113.2D15 A20 Q21D15-P17 VanDerWaalsContact C-CD 3.41Å; D15-P17 VanDerWaalsContact C-N 3.31Å; D15-P17 VanDerWaalsContact OD1-CD 3.26Å; D15-P17 WeakPolarHBondContact OD1-CD 3.44Å; D15-P17 WeakPolarHBondContact OD1-CG 3.12Å; P17-A20 PolarHBondContact O-N 3.37Å; P17-Q21 VanDerWaalsContact O-CB 3.27Å; P17-Q21 WeakPolarHBondContact O-CB 3.11Å; P17-Q21 PolarHBondContact O-N 3.17Å
18A79.9Confident76.5Confident41 Ų4174.8 Ų74.834%0.33940%0.401SS..Hα-helixtrans-67.3-39.3176.400000111.9D15 Q21 S22D15-A18 HydrophobicContact CB-CB 3.91Å; D15-A18 PolarHBondContact O-N 3.38Å; D15-A18 WeakPolarHBondContact OD2-CB 3.47Å; A18-Q21 PolarHBondContact O-N 2.62Å; A18-S22 VanDerWaalsContact O-CB 3.32Å; A18-S22 WeakPolarHBondContact O-CB 3.2Å; A18-S22 PolarHBondContact O-N 3.35Å
19T79.5Confident77.1Confident42 Ų4275.3 Ų75.326%0.25841%0.407SS..Hα-helixtrans-62.8-49.9174.2-60.40000110.6D15 S16 Q21 S22 H23 V54D15-T19 PolarHBondContact O-N 3.08Å; D15-T19 PolarHBondContact O-OG1 3.15Å; S16-T19 PolarHBondContact O-N 2.8Å; T19-Q21 VanDerWaalsContact C-N 3.34Å; T19-Q21 PolarHBondContact O-N 2.67Å; T19-S22 WeakPolarHBondContact O-CB 3.27Å; T19-S22 PolarHBondContact O-N 2.9Å; T19-H23 PolarHBondContact O-CD2 3.16Å; T19-H23 VanDerWaalsContact O-CD2 3.28Å; T19-H23 PolarHBondContact O-N 3.44Å; T19-V54 HydrophobicContact CG2-CG1 3.73Å
20A77.4Confident77.6Confident4 Ų472.4 Ų72.43%0.03339%0.393CS..Hα-helixtrans-56.4-47175.400000112.3S16 P17 S22 H23 A24 L55 N58 Q60S16-A20 WeakPolarHBondContact O-CB 3.46Å; S16-A20 PolarHBondContact O-N 3.42Å; P17-A20 PolarHBondContact O-N 3.37Å; A20-S22 PolarHBondContact O-N 3.42Å; A20-H23 PolarHBondContact O-N 2.69Å; A20-A24 WeakPolarHBondContact O-CB 3.21Å; A20-A24 PolarHBondContact O-N 3.05Å; A20-L55 HydrophobicContact CB-CD2 4.22Å; A20-N58 HydrophobicContact CB-CB 4.41Å; A20-Q60 HydrophobicContact CB-CG 3.68Å
21Q80.6Confident78.1Confident130 Ų13075.2 Ų75.261%0.60741%0.409SS*.Hα-helixtrans-63-43178.7-173.5178.113.100111.8P17 A18 T19 H23 A24 L25P17-Q21 VanDerWaalsContact O-CB 3.27Å; P17-Q21 WeakPolarHBondContact O-CB 3.11Å; P17-Q21 PolarHBondContact O-N 3.17Å; A18-Q21 PolarHBondContact O-N 2.62Å; T19-Q21 VanDerWaalsContact C-N 3.34Å; T19-Q21 PolarHBondContact O-N 2.67Å; Q21-H23 PolarHBondContact O-N 2.89Å; Q21-A24 PolarHBondContact O-N 3.48Å; Q21-L25 HydrophobicContact CG-CD1 4.39Å; Q21-L25 VanDerWaalsContact O-CG 3.31Å; Q21-L25 WeakPolarHBondContact O-CG 3.46Å; Q21-L25 PolarHBondContact O-N 3.39Å
22S84.2Confident78.4Confident57 Ų5770.9 Ų70.940%0.39940%0.397SS..Hα-helixtrans-58.8-46175.5-1780000111.5A18 T19 A20 L25 M26A18-S22 VanDerWaalsContact O-CB 3.32Å; A18-S22 WeakPolarHBondContact O-CB 3.2Å; A18-S22 PolarHBondContact O-N 3.35Å; T19-S22 WeakPolarHBondContact O-CB 3.27Å; T19-S22 PolarHBondContact O-N 2.9Å; A20-S22 PolarHBondContact O-N 3.42Å; S22-L25 WeakPolarHBondContact O-CB 2.95Å; S22-L25 PolarHBondContact O-N 2.87Å; S22-M26 WeakPolarHBondContact O-CG 3.36Å; S22-M26 PolarHBondContact O-N 2.89Å
23H83.5Confident78.8Confident40 Ų4065.8 Ų65.819%0.18537%0.37CS..Hα-helixtrans-70.2-34.8178.2-81.9-82.6000113.1T19 A20 Q21 L25 M26 L27 P51 V54T19-H23 PolarHBondContact O-CD2 3.16Å; T19-H23 VanDerWaalsContact O-CD2 3.28Å; T19-H23 PolarHBondContact O-N 3.44Å; A20-H23 PolarHBondContact O-N 2.69Å; Q21-H23 PolarHBondContact O-N 2.89Å; H23-L25 VanDerWaalsContact C-N 3.33Å; H23-M26 WeakPolarHBondContact O-CB 3.12Å; H23-M26 PolarHBondContact O-N 3.48Å; H23-L27 PolarHBondContact O-N 3.24Å; H23-L27 VanDerWaalsContact O-N 3.07Å; H23-P51 HydrophobicContact CB-CB 3.98Å; H23-P51 VanDerWaalsContact ND1-CA 3.35Å; H23-P51 WeakPolarHBondContact ND1-CA 3.44Å; H23-V54 HydrophobicContact CB-CB 4.37Å; H23-V54 HydrophobicContact CB-CG1 4.34Å; H23-V54 VanDerWaalsContact CD2-CG1 3.48Å; H23-V54 WeakPolarHBondContact CD2-CG1 3.49Å
24A82.1Confident79.1Confident18 Ų1867.2 Ų67.215%0.14937%0.374CS..Hα-helixtrans-61.9-41.9170.300000111.3A20 Q21 L27 T28 L55A20-A24 WeakPolarHBondContact O-CB 3.21Å; A20-A24 PolarHBondContact O-N 3.05Å; Q21-A24 PolarHBondContact O-N 3.48Å; A24-L27 WeakPolarHBondContact O-CB 3.49Å; A24-L27 PolarHBondContact O-N 2.69Å; A24-T28 PolarHBondContact O-N 3.12Å; A24-L55 HydrophobicContact CB-CD2 4.5Å
25L84.3Confident79.3Confident92 Ų9267.8 Ų67.848%0.48237%0.373SS..Hα-helixtrans-64.9-37.4173.9-71.5169.9000112.2Q21 S22 H23 L27 T28 N29Q21-L25 HydrophobicContact CG-CD1 4.39Å; Q21-L25 VanDerWaalsContact O-CG 3.31Å; Q21-L25 WeakPolarHBondContact O-CG 3.46Å; Q21-L25 PolarHBondContact O-N 3.39Å; S22-L25 WeakPolarHBondContact O-CB 2.95Å; S22-L25 PolarHBondContact O-N 2.87Å; H23-L25 VanDerWaalsContact C-N 3.33Å; L25-L27 VanDerWaalsContact C-N 3.29Å; L25-L27 PolarHBondContact O-N 3.4Å; L25-T28 PolarHBondContact O-N 2.79Å; L25-T28 VanDerWaalsContact O-N 3.15Å; L25-T28 PolarHBondContact O-OG1 3.46Å; L25-N29 PolarHBondContact O-N 3.47Å; L25-N29 PolarHBondContact O-ND2 3.1Å; L25-N29 VanDerWaalsContact O-ND2 3.07Å
26M85.1Confident79.3Confident98 Ų9866.2 Ų66.248%0.48336%0.362SS..Hα-helixtrans-58.7-42.6172.8-72.9-177176.800111.3S22 H23 T28 N29 V30 P51S22-M26 WeakPolarHBondContact O-CG 3.36Å; S22-M26 PolarHBondContact O-N 2.89Å; H23-M26 WeakPolarHBondContact O-CB 3.12Å; H23-M26 PolarHBondContact O-N 3.48Å; M26-T28 VanDerWaalsContact C-N 3.26Å; M26-T28 PolarHBondContact O-N 2.73Å; M26-N29 CarbonylContact O-C 3.52Å; M26-N29 PolarHBondContact O-N 3.32Å; M26-V30 WeakPolarHBondContact O-CG2 3.29Å; M26-V30 PolarHBondContact O-N 2.99Å; M26-P51 HydrophobicContact CB-CG 4.07Å
27L84.2Confident79.5Confident2 Ų266.6 Ų66.61%0.0136%0.364CS..Hα-helixtrans-61.4-32.8176.5-71.3173000113H23 A24 L25 N29 V30 V48 P51 V52 L55 V73 L97H23-L27 PolarHBondContact O-N 3.24Å; H23-L27 VanDerWaalsContact O-N 3.07Å; A24-L27 WeakPolarHBondContact O-CB 3.49Å; A24-L27 PolarHBondContact O-N 2.69Å; L25-L27 VanDerWaalsContact C-N 3.29Å; L25-L27 PolarHBondContact O-N 3.4Å; L27-N29 VanDerWaalsContact C-N 3.27Å; L27-N29 PolarHBondContact O-N 3.21Å; L27-V30 HydrophobicContact CD2-CG2 4.41Å; L27-V48 HydrophobicContact CD2-CB 4.45Å; L27-V48 HydrophobicContact CD2-CG1 3.95Å; L27-P51 HydrophobicContact CD1-CB 4.13Å; L27-P51 HydrophobicContact CD2-CB 3.8Å; L27-P51 HydrophobicContact CD2-CG 4.25Å; L27-P51 HydrophobicContact CG-CB 3.63Å; L27-P51 HydrophobicContact CG-CG 4.38Å; L27-V52 HydrophobicContact CD1-CG2 4.23Å; L27-V52 HydrophobicContact CD2-CG2 4.23Å; L27-L55 HydrophobicContact CD1-CD1 3.66Å; L27-V73 HydrophobicContact CB-CG2 4.23Å; L27-V73 HydrophobicContact CD2-CG2 4.17Å; L27-L97 HydrophobicContact CD1-CD1 3.79Å
28T81.6Confident79.8Confident62 Ų6264.8 Ų64.838%0.3835%0.349SS..Hα-helixtrans-72.2-20.9175.665.50000113.6A24 L25 M26 L69A24-T28 PolarHBondContact O-N 3.12Å; L25-T28 PolarHBondContact O-N 2.79Å; L25-T28 VanDerWaalsContact O-N 3.15Å; L25-T28 PolarHBondContact O-OG1 3.46Å; M26-T28 VanDerWaalsContact C-N 3.26Å; M26-T28 PolarHBondContact O-N 2.73Å; T28-L69 HydrophobicContact CG2-CD2 3.71Å
29N82.6Confident80Confident123 Ų12366.2 Ų66.266%0.65836%0.361SS*.THydrogen-bonded Turntrans-106.610.4-177.4-66.3-46.7000113.1L25 M26 L27 D31L25-N29 PolarHBondContact O-N 3.47Å; L25-N29 PolarHBondContact O-ND2 3.1Å; L25-N29 VanDerWaalsContact O-ND2 3.07Å; M26-N29 CarbonylContact O-C 3.52Å; M26-N29 PolarHBondContact O-N 3.32Å; L27-N29 VanDerWaalsContact C-N 3.27Å; L27-N29 PolarHBondContact O-N 3.21Å; N29-D31 PolarHBondContact O-N 3.05Å
30V81.2Confident80.2Confident24 Ų2467 Ų6715%0.14536%0.362CS..PPolyproline II helixtrans-62.1130177.5173.80000109.3M26 L27 S32 F44 Q47 V48M26-V30 WeakPolarHBondContact O-CG2 3.29Å; M26-V30 PolarHBondContact O-N 2.99Å; L27-V30 HydrophobicContact CD2-CG2 4.41Å; V30-S32 PolarHBondContact O-N 2.93Å; V30-F44 HydrophobicContact CG1-CD2 3.64Å; V30-F44 HydrophobicContact CG1-CE2 3.39Å; V30-F44 HydrophobicContact CG1-CZ 4.4Å; V30-Q47 HydrophobicContact CG1-CB 4.32Å; V30-V48 HydrophobicContact CG1-CG2 4.04Å; V30-V48 HydrophobicContact CG2-CG2 4.31Å
31D77.7Confident80.4Confident106 Ų10667.2 Ų67.257%0.56736%0.363SS*.PPolyproline II helixtrans-62.4131.1176.5-77.9-43.6000109.9N29 L33 F44N29-D31 PolarHBondContact O-N 3.05Å; D31-L33 PolarHBondContact O-N 3.47Å; D31-F44 WeakPolarHBondContact O-CD2 3.37Å
32S73.6Confident80.5Confident71 Ų7163.2 Ų63.250%0.49734%0.344SS..PPolyproline II helixtrans-64.2132.6171.7-61.20000109.9V30 R34V30-S32 PolarHBondContact O-N 2.93Å; S32-R34 PolarHBondContact O-N 2.92Å; S32-R34 VanDerWaalsContact O-N 3.16Å
33L75.2Confident80.6Confident20 Ų2063.3 Ų63.311%0.10535%0.345CS..PPolyproline II helixtrans-50.4119.5168.4-72162.8000110.6D31 E40 L41 F44 I76 L79D31-L33 PolarHBondContact O-N 3.47Å; L33-E40 HydrophobicContact CD2-CB 3.68Å; L33-E40 VanDerWaalsContact CD2-O 3.26Å; L33-E40 WeakPolarHBondContact CD2-O 3.43Å; L33-L41 HydrophobicContact CD1-CD2 3.73Å; L33-F44 HydrophobicContact CD1-CB 4.09Å; L33-F44 HydrophobicContact CD1-CD1 3.49Å; L33-F44 VanDerWaalsContact CD1-CD1 3.49Å; L33-F44 HydrophobicContact CD1-CD2 4.19Å; L33-F44 HydrophobicContact CD1-CE1 3.86Å; L33-F44 HydrophobicContact CD1-CG 3.67Å; L33-F44 HydrophobicContact CD1-CZ 4.37Å; L33-F44 HydrophobicContact CD2-CB 3.49Å; L33-F44 VanDerWaalsContact CD2-CB 3.49Å; L33-F44 HydrophobicContact CD2-CD1 4.48Å; L33-F44 HydrophobicContact CD2-CD2 4.37Å; L33-F44 HydrophobicContact CD2-CG 3.9Å; L33-F44 HydrophobicContact CG-CB 3.82Å; L33-F44 HydrophobicContact CG-CD1 4.01Å; L33-F44 HydrophobicContact CG-CD2 3.82Å; L33-F44 HydrophobicContact CG-CE2 4.36Å; L33-F44 HydrophobicContact CG-CG 3.62Å; L33-I76 HydrophobicContact CB-CD1 3.42Å; L33-I76 VanDerWaalsContact CB-CD1 3.42Å; L33-I76 HydrophobicContact CG-CD1 4.46Å; L33-I76 WeakPolarHBondContact O-CD1 3.37Å; L33-L79 HydrophobicContact CD1-CD1 3.53Å; L33-L79 HydrophobicContact CD1-CD2 4.27Å; L33-L79 HydrophobicContact CD1-CG 4.39Å
34R74.4Confident80.7Confident223 Ų22361.8 Ų61.884%0.84234%0.337SS*.SBendtrans-83.7-31.7179.1-61.7180179.7173.21.3110.7S32 E40S32-R34 PolarHBondContact O-N 2.92Å; S32-R34 VanDerWaalsContact O-N 3.16Å; R34-E40 WeakPolarHBondContact CA-OE2 3.38Å; R34-E40 WeakPolarHBondContact CB-OE2 3.2Å; R34-E40 PolarHBondContact N-OE2 3.33Å
35S73.9Confident80.8Confident47 Ų4761.3 Ų61.333%0.32933%0.332SS..SBendtrans-139.7162.9177.980.20000110.8S37 E40S35-S37 PolarHBondContact O-N 3.17Å; S35-S37 WeakPolarHBondContact OG-CB 3.32Å; S35-S37 PolarHBondContact OG-N 3.36Å; S35-S37 PolarHBondContact OG-OG 3.44Å; S35-S37 VanDerWaalsContact OG-OG 3.1Å; S35-E40 WeakPolarHBondContact CB-OE1 3.26Å; S35-E40 PolarHBondContact N-OE2 3.29Å; S35-E40 PolarHBondContact OG-OE1 2.95Å; S35-E40 PolarHBondContact OG-OE2 2.93Å
36E74.6Confident80.9Confident68 Ų6860.8 Ų60.832%0.31833%0.329SS..  trans-8920.8174.8-88.5-159.7-139.800112.9K82 K111E36-K82 VanDerWaalsContact OE1-CE 3.3Å; E36-K82 WeakPolarHBondContact OE1-CE 3.44Å; E36-K82 IonicContact OE1-NZ 2.74Å; E36-K82 PolarHBondContact OE1-NZ 3.42Å; E36-K82 IonicContact OE2-NZ 3.64Å; E36-K82 PolarHBondContact OE2-NZ 2.96Å; E36-K111 PolarHBondContact O-NZ 3.2Å; E36-K111 IonicContact OE2-NZ 3.73Å; E36-K111 PolarHBondContact OE2-NZ 2.83Å
37S80Confident80.9Confident48 Ų4859.5 Ų59.534%0.33632%0.322SS..  trans-64152.2176.374.50000110.8S35 A39 E40 L41S35-S37 PolarHBondContact O-N 3.17Å; S35-S37 WeakPolarHBondContact OG-CB 3.32Å; S35-S37 PolarHBondContact OG-N 3.36Å; S35-S37 PolarHBondContact OG-OG 3.44Å; S35-S37 VanDerWaalsContact OG-OG 3.1Å; S37-A39 VanDerWaalsContact C-N 3.33Å; S37-A39 PolarHBondContact O-N 2.63Å; S37-E40 PolarHBondContact O-N 3.03Å; S37-E40 WeakPolarHBondContact OG-CB 3.33Å; S37-E40 WeakPolarHBondContact OG-CG 3.23Å; S37-E40 PolarHBondContact OG-N 2.91Å; S37-L41 PolarHBondContact O-N 3.48Å
38M80.5Confident81Confident44 Ų4459.4 Ų59.422%0.21732%0.321CS..Hα-helixtrans-61.4-45.2179.8-168.671.7-160.600110.8E40 L41 E42 G108 K111 R112M38-E40 VanDerWaalsContact C-N 3.3Å; M38-E40 PolarHBondContact O-N 3.5Å; M38-L41 PolarHBondContact O-N 3.26Å; M38-E42 HydrophobicContact CE-CG 3.67Å; M38-E42 VanDerWaalsContact CE-OE1 3.31Å; M38-E42 WeakPolarHBondContact CE-OE1 3.49Å; M38-E42 HydrophobicContact CG-CG 4.19Å; M38-E42 WeakPolarHBondContact CG-OE1 3.26Å; M38-E42 WeakPolarHBondContact O-CB 3.49Å; M38-E42 WeakPolarHBondContact O-CG 3.48Å; M38-E42 PolarHBondContact O-N 2.88Å; M38-G108 WeakPolarHBondContact CE-O 3.37Å; M38-K111 HydrophobicContact SD-CB 4.13Å; M38-R112 HydrophobicContact CE-CG 3.68Å; M38-R112 HydrophobicContact CG-CG 4.18Å; M38-R112 HydrophobicContact SD-CG 3.77Å
39A83.4Confident81.2Confident71 Ų7157.1 Ų57.159%0.58731%0.307SS*.Hα-helixtrans-58.8-39.7-179.700000113S37 S43S37-A39 VanDerWaalsContact C-N 3.33Å; S37-A39 PolarHBondContact O-N 2.63Å; A39-S43 WeakPolarHBondContact O-CB 3.28Å; A39-S43 PolarHBondContact O-N 3.33Å
40E83.4Confident81.3Confident59 Ų5952.8 Ų52.828%0.27629%0.292SS..Hα-helixtrans-70.2-43.8176.4-75.7-173.1-136.400112.1L33 R34 S35 S37 M38 E42 S43 F44L33-E40 HydrophobicContact CD2-CB 3.68Å; L33-E40 VanDerWaalsContact CD2-O 3.26Å; L33-E40 WeakPolarHBondContact CD2-O 3.43Å; R34-E40 WeakPolarHBondContact CA-OE2 3.38Å; R34-E40 WeakPolarHBondContact CB-OE2 3.2Å; R34-E40 PolarHBondContact N-OE2 3.33Å; S35-E40 WeakPolarHBondContact CB-OE1 3.26Å; S35-E40 PolarHBondContact N-OE2 3.29Å; S35-E40 PolarHBondContact OG-OE1 2.95Å; S35-E40 PolarHBondContact OG-OE2 2.93Å; S37-E40 PolarHBondContact O-N 3.03Å; S37-E40 WeakPolarHBondContact OG-CB 3.33Å; S37-E40 WeakPolarHBondContact OG-CG 3.23Å; S37-E40 PolarHBondContact OG-N 2.91Å; M38-E40 VanDerWaalsContact C-N 3.3Å; M38-E40 PolarHBondContact O-N 3.5Å; E40-E42 VanDerWaalsContact C-N 3.27Å; E40-E42 PolarHBondContact O-N 2.91Å; E40-S43 PolarHBondContact O-N 2.94Å; E40-F44 VanDerWaalsContact O-CB 3.23Å; E40-F44 WeakPolarHBondContact O-CB 3.06Å; E40-F44 PolarHBondContact O-N 2.84Å
41L82.3Confident81.5Confident9 Ų952.1 Ų52.15%0.04729%0.287CS..Hα-helixtrans-60-39.5176.3-77.5168.5000112.4L33 S37 M38 Y45 L107 K111L33-L41 HydrophobicContact CD1-CD2 3.73Å; S37-L41 PolarHBondContact O-N 3.48Å; M38-L41 PolarHBondContact O-N 3.26Å; L41-Y45 WeakPolarHBondContact O-CB 3.24Å; L41-Y45 PolarHBondContact O-N 3.49Å; L41-L107 HydrophobicContact CD2-CD2 4.16Å; L41-K111 HydrophobicContact CD1-CD 3.49Å; L41-K111 VanDerWaalsContact CD1-CD 3.49Å
42E83.5Confident81.8Confident46 Ų4647 Ų4722%0.21526%0.26CS..Hα-helixtrans-64.7-48.1176.8-71.9-179.3-159.200111.9M38 E40 F44 Y45 L46 R112 W151M38-E42 HydrophobicContact CE-CG 3.67Å; M38-E42 VanDerWaalsContact CE-OE1 3.31Å; M38-E42 WeakPolarHBondContact CE-OE1 3.49Å; M38-E42 HydrophobicContact CG-CG 4.19Å; M38-E42 WeakPolarHBondContact CG-OE1 3.26Å; M38-E42 WeakPolarHBondContact O-CB 3.49Å; M38-E42 WeakPolarHBondContact O-CG 3.48Å; M38-E42 PolarHBondContact O-N 2.88Å; E40-E42 VanDerWaalsContact C-N 3.27Å; E40-E42 PolarHBondContact O-N 2.91Å; E42-F44 VanDerWaalsContact C-N 3.34Å; E42-Y45 PolarHBondContact O-N 2.74Å; E42-L46 WeakPolarHBondContact O-CG 3.32Å; E42-L46 PolarHBondContact O-N 3.02Å; E42-L46 VanDerWaalsContact O-N 3.1Å; E42-R112 IonicContact OE1-CZ 2.63Å; E42-R112 IonicContact OE1-NE 2.75Å; E42-R112 PolarHBondContact OE1-NE 2.92Å; E42-R112 IonicContact OE1-NH2 3.47Å; E42-R112 PolarHBondContact OE1-NH2 2.8Å; E42-R112 IonicContact OE2-NH2 2.77Å; E42-W151 HydrophobicContact CB-CH2 3.43Å; E42-W151 VanDerWaalsContact CB-CH2 3.43Å; E42-W151 HydrophobicContact CB-CZ2 3.39Å; E42-W151 HydrophobicContact CG-CH2 3.3Å; E42-W151 HydrophobicContact CG-CZ2 3.12Å; E42-W151 HydrophobicContact CG-CZ3 4.26Å; E42-W151 WeakPolarHBondContact OE2-CZ2 3.47Å
43S85.2Confident82.3Confident59 Ų5945.2 Ų45.241%0.41325%0.247SC..Hα-helixtrans-62-44.7177.4-174.20000111.2A39 E40 L46 Q47A39-S43 WeakPolarHBondContact O-CB 3.28Å; A39-S43 PolarHBondContact O-N 3.33Å; E40-S43 PolarHBondContact O-N 2.94Å; S43-L46 PolarHBondContact O-N 2.94Å; S43-Q47 WeakPolarHBondContact O-CG 3.43Å; S43-Q47 PolarHBondContact O-N 3.41Å
44F85.6Confident82.6Confident7 Ų745.5 Ų45.53%0.03125%0.25CS..Hα-helixtrans-63.3-43177.6-178.7-102.4000112.3V30 D31 L33 E40 E42 L46 Q47 V48 V73 L79 F100 L104V30-F44 HydrophobicContact CG1-CD2 3.64Å; V30-F44 HydrophobicContact CG1-CE2 3.39Å; V30-F44 HydrophobicContact CG1-CZ 4.4Å; D31-F44 WeakPolarHBondContact O-CD2 3.37Å; L33-F44 HydrophobicContact CD1-CB 4.09Å; L33-F44 HydrophobicContact CD1-CD1 3.49Å; L33-F44 VanDerWaalsContact CD1-CD1 3.49Å; L33-F44 HydrophobicContact CD1-CD2 4.19Å; L33-F44 HydrophobicContact CD1-CE1 3.86Å; L33-F44 HydrophobicContact CD1-CG 3.67Å; L33-F44 HydrophobicContact CD1-CZ 4.37Å; L33-F44 HydrophobicContact CD2-CB 3.49Å; L33-F44 VanDerWaalsContact CD2-CB 3.49Å; L33-F44 HydrophobicContact CD2-CD1 4.48Å; L33-F44 HydrophobicContact CD2-CD2 4.37Å; L33-F44 HydrophobicContact CD2-CG 3.9Å; L33-F44 HydrophobicContact CG-CB 3.82Å; L33-F44 HydrophobicContact CG-CD1 4.01Å; L33-F44 HydrophobicContact CG-CD2 3.82Å; L33-F44 HydrophobicContact CG-CE2 4.36Å; L33-F44 HydrophobicContact CG-CG 3.62Å; E40-F44 VanDerWaalsContact O-CB 3.23Å; E40-F44 WeakPolarHBondContact O-CB 3.06Å; E40-F44 PolarHBondContact O-N 2.84Å; E42-F44 VanDerWaalsContact C-N 3.34Å; F44-L46 VanDerWaalsContact C-N 3.3Å; F44-L46 PolarHBondContact O-N 3.15Å; F44-Q47 PolarHBondContact O-N 2.96Å; F44-V48 HydrophobicContact CD1-CG2 4.49Å; F44-V48 HydrophobicContact CE1-CG2 4.2Å; F44-V48 HydrophobicContact CE2-CG2 4.22Å; F44-V48 HydrophobicContact CZ-CG2 4.04Å; F44-V48 WeakPolarHBondContact O-CG2 3.35Å; F44-V48 PolarHBondContact O-N 3.34Å; F44-V73 HydrophobicContact CZ-CG1 3.84Å; F44-V73 WeakPolarHBondContact CZ-O 3.46Å; F44-L79 HydrophobicContact CE1-CD1 4.47Å; F44-F100 HydrophobicContact CE1-CE1 4.02Å; F44-F100 AromaticContact CE1-CZ 3.81Å; F44-F100 HydrophobicContact CE1-CZ 3.81Å; F44-F100 HydrophobicContact CZ-CE1 4.34Å; F44-F100 HydrophobicContact CZ-CZ 4.17Å; F44-L104 HydrophobicContact CD1-CD1 3.74Å; F44-L104 HydrophobicContact CD1-CD2 4.07Å; F44-L104 HydrophobicContact CE1-CD1 3.59Å; F44-L104 HydrophobicContact CE1-CD2 3.98Å; F44-L104 HydrophobicContact CE1-CG 4.41Å
45Y85.3Confident82.9Confident9 Ų934.9 Ų34.94%0.03521%0.21CC..Hα-helixtrans-55.8-45.4173170.1-93.2000111.5L41 E42 V48 N49 V101 L104 K105 W151 V155L41-Y45 WeakPolarHBondContact O-CB 3.24Å; L41-Y45 PolarHBondContact O-N 3.49Å; E42-Y45 PolarHBondContact O-N 2.74Å; Y45-V48 PolarHBondContact O-N 3.14Å; Y45-N49 HydrophobicContact CD1-CB 4.47Å; Y45-N49 HydrophobicContact CE1-CB 4.05Å; Y45-N49 HydrophobicContact CE2-CB 4.2Å; Y45-N49 WeakPolarHBondContact O-CB 3.46Å; Y45-N49 PolarHBondContact O-N 3.32Å; Y45-V101 HydrophobicContact CD2-CG1 4.1Å; Y45-V101 HydrophobicContact CE2-CG1 3.49Å; Y45-V101 VanDerWaalsContact CE2-CG1 3.49Å; Y45-L104 HydrophobicContact CD2-CB 4.12Å; Y45-K105 HydrophobicContact CD2-CB 4.3Å; Y45-K105 HydrophobicContact CE2-CB 3.76Å; Y45-W151 HydrophobicContact CD1-CH2 4.41Å; Y45-W151 HydrophobicContact CD1-CZ3 4.11Å; Y45-V155 HydrophobicContact CE1-CG2 3.92Å
46L85.2Confident83.4Confident81 Ų8136.2 Ų36.242%0.42421%0.211SC..Hα-helixtrans-66.4-39.9179.2-68.5173.1000112.3E42 S43 F44 V48 G50E42-L46 WeakPolarHBondContact O-CG 3.32Å; E42-L46 PolarHBondContact O-N 3.02Å; E42-L46 VanDerWaalsContact O-N 3.1Å; S43-L46 PolarHBondContact O-N 2.94Å; F44-L46 VanDerWaalsContact C-N 3.3Å; F44-L46 PolarHBondContact O-N 3.15Å; L46-V48 VanDerWaalsContact C-N 3.28Å; L46-V48 PolarHBondContact O-N 2.95Å; L46-G50 PolarHBondContact O-N 3.35Å
47Q85.8Confident83.5Confident70 Ų7037.1 Ų37.133%0.32722%0.216SC..Hα-helixtrans-62.3-34.2176.6-72.7-17813.400112.6V30 S43 F44 P51V30-Q47 HydrophobicContact CG1-CB 4.32Å; S43-Q47 WeakPolarHBondContact O-CG 3.43Å; S43-Q47 PolarHBondContact O-N 3.41Å; F44-Q47 PolarHBondContact O-N 2.96Å; Q47-P51 WeakPolarHBondContact O-CD 3.42Å; Q47-P51 VanDerWaalsContact O-CG 3.31Å; Q47-P51 WeakPolarHBondContact O-CG 3.47Å
48V85.7Confident83.4Confident0 Ų035.6 Ų35.60%021%0.205CC..Hα-helixtrans-88.9-42.8-179.4-177.60000111.7L27 V30 F44 Y45 L46 G50 P51 V52 V73 F100 V101L27-V48 HydrophobicContact CD2-CB 4.45Å; L27-V48 HydrophobicContact CD2-CG1 3.95Å; V30-V48 HydrophobicContact CG1-CG2 4.04Å; V30-V48 HydrophobicContact CG2-CG2 4.31Å; F44-V48 HydrophobicContact CD1-CG2 4.49Å; F44-V48 HydrophobicContact CE1-CG2 4.2Å; F44-V48 HydrophobicContact CE2-CG2 4.22Å; F44-V48 HydrophobicContact CZ-CG2 4.04Å; F44-V48 WeakPolarHBondContact O-CG2 3.35Å; F44-V48 PolarHBondContact O-N 3.34Å; Y45-V48 PolarHBondContact O-N 3.14Å; L46-V48 VanDerWaalsContact C-N 3.28Å; L46-V48 PolarHBondContact O-N 2.95Å; V48-G50 VanDerWaalsContact C-N 3.34Å; V48-G50 PolarHBondContact O-N 2.94Å; V48-P51 WeakPolarHBondContact O-CD 3.32Å; V48-V52 HydrophobicContact CG1-CG2 3.92Å; V48-V52 WeakPolarHBondContact O-CB 3.25Å; V48-V52 VanDerWaalsContact O-CG2 3.25Å; V48-V52 WeakPolarHBondContact O-CG2 3.44Å; V48-V52 PolarHBondContact O-N 3.07Å; V48-V73 HydrophobicContact CB-CG1 4.44Å; V48-V73 HydrophobicContact CG1-CG1 3.92Å; V48-V73 HydrophobicContact CG2-CG1 3.54Å; V48-F100 HydrophobicContact CG1-CD1 4.35Å; V48-F100 HydrophobicContact CG1-CE1 4.33Å; V48-V101 HydrophobicContact CB-CG2 4.3Å; V48-V101 HydrophobicContact CG1-CG2 3.51Å
49N86.7Confident83.4Confident14 Ų1441.1 Ų41.18%0.07523%0.227CC..Hα-helixtrans-64.1-36.8-173.7-177.155000112.7Y45 S53 R98 V101Y45-N49 HydrophobicContact CD1-CB 4.47Å; Y45-N49 HydrophobicContact CE1-CB 4.05Å; Y45-N49 HydrophobicContact CE2-CB 4.2Å; Y45-N49 WeakPolarHBondContact O-CB 3.46Å; Y45-N49 PolarHBondContact O-N 3.32Å; N49-S53 VanDerWaalsContact O-CB 3.27Å; N49-S53 WeakPolarHBondContact O-CB 3.37Å; N49-S53 PolarHBondContact O-N 2.91Å; N49-S53 PolarHBondContact O-OG 2.94Å; N49-S53 PolarHBondContact OD1-OG 3.47Å; N49-R98 PolarHBondContact OD1-NH1 3.13Å; N49-V101 HydrophobicContact CB-CG1 3.83Å; N49-V101 WeakPolarHBondContact OD1-CG1 3.34Å
50G84.8Confident83.2Confident33 Ų3340.3 Ų40.334%0.3421%0.212SC..Hα-helixtrans-58.1-62.9176.900000111.8L46 V48 V52 S53 V54L46-G50 PolarHBondContact O-N 3.35Å; V48-G50 VanDerWaalsContact C-N 3.34Å; V48-G50 PolarHBondContact O-N 2.94Å; G50-V52 PolarHBondContact O-N 2.98Å; G50-S53 PolarHBondContact O-N 3.45Å; G50-S53 VanDerWaalsContact O-N 3.15Å; G50-V54 PolarHBondContact O-N 2.89Å
51P84.8Confident82.9Confident9 Ų943.2 Ų43.26%0.05823%0.225CC..Hα-helixtrans-56.6-41.6176.4-2735000115.1H23 M26 L27 Q47 V48 S53 V54 L55H23-P51 HydrophobicContact CB-CB 3.98Å; H23-P51 VanDerWaalsContact ND1-CA 3.35Å; H23-P51 WeakPolarHBondContact ND1-CA 3.44Å; M26-P51 HydrophobicContact CB-CG 4.07Å; L27-P51 HydrophobicContact CD1-CB 4.13Å; L27-P51 HydrophobicContact CD2-CB 3.8Å; L27-P51 HydrophobicContact CD2-CG 4.25Å; L27-P51 HydrophobicContact CG-CB 3.63Å; L27-P51 HydrophobicContact CG-CG 4.38Å; Q47-P51 WeakPolarHBondContact O-CD 3.42Å; Q47-P51 VanDerWaalsContact O-CG 3.31Å; Q47-P51 WeakPolarHBondContact O-CG 3.47Å; V48-P51 WeakPolarHBondContact O-CD 3.32Å; P51-S53 VanDerWaalsContact C-N 3.3Å; P51-S53 PolarHBondContact O-N 3.18Å; P51-V54 PolarHBondContact O-N 3.31Å; P51-L55 WeakPolarHBondContact O-CG 3.35Å; P51-L55 PolarHBondContact O-N 3.31Å
52V84.3Confident82.6Confident0 Ų047.7 Ų47.70%026%0.256CS..Hα-helixtrans-61.8-40.5177171.60000111.2L27 V48 G50 L55 E56 L64 L97 R98 V101L27-V52 HydrophobicContact CD1-CG2 4.23Å; L27-V52 HydrophobicContact CD2-CG2 4.23Å; V48-V52 HydrophobicContact CG1-CG2 3.92Å; V48-V52 WeakPolarHBondContact O-CB 3.25Å; V48-V52 VanDerWaalsContact O-CG2 3.25Å; V48-V52 WeakPolarHBondContact O-CG2 3.44Å; V48-V52 PolarHBondContact O-N 3.07Å; G50-V52 PolarHBondContact O-N 2.98Å; V52-L55 PolarHBondContact O-N 3.25Å; V52-E56 WeakPolarHBondContact O-CG 3.29Å; V52-E56 PolarHBondContact O-N 3.08Å; V52-L64 HydrophobicContact CG1-CD2 3.82Å; V52-L97 HydrophobicContact CG1-CB 4.35Å; V52-L97 HydrophobicContact CG2-CB 3.83Å; V52-L97 HydrophobicContact CG2-CD1 4.36Å; V52-R98 HydrophobicContact CG1-CB 4.4Å; V52-V101 HydrophobicContact CB-CG2 4.24Å; V52-V101 HydrophobicContact CG1-CG2 4.3Å; V52-V101 HydrophobicContact CG2-CG2 3.99Å
53S83.8Confident82.2Confident32 Ų3248.4 Ų48.422%0.22426%0.259CS..Hα-helixtrans-66.5-37.7177.6-57.40000112.1N49 G50 P51 E56 M57 R98N49-S53 VanDerWaalsContact O-CB 3.27Å; N49-S53 WeakPolarHBondContact O-CB 3.37Å; N49-S53 PolarHBondContact O-N 2.91Å; N49-S53 PolarHBondContact O-OG 2.94Å; N49-S53 PolarHBondContact OD1-OG 3.47Å; G50-S53 PolarHBondContact O-N 3.45Å; G50-S53 VanDerWaalsContact O-N 3.15Å; P51-S53 VanDerWaalsContact C-N 3.3Å; P51-S53 PolarHBondContact O-N 3.18Å; S53-E56 PolarHBondContact O-N 3.48Å; S53-M57 WeakPolarHBondContact O-CB 3.34Å; S53-M57 VanDerWaalsContact O-CG 3.26Å; S53-M57 WeakPolarHBondContact O-CG 2.96Å; S53-M57 PolarHBondContact O-N 3.27Å; S53-R98 PolarHBondContact OG-NH2 3.49Å
54V80.7Confident81.8Confident27 Ų2746 Ų4616%0.16424%0.241CC..Hα-helixtrans-67.3-40.4175176.80000111.7T19 H23 G50 P51 E56 M57 N58T19-V54 HydrophobicContact CG2-CG1 3.73Å; H23-V54 HydrophobicContact CB-CB 4.37Å; H23-V54 HydrophobicContact CB-CG1 4.34Å; H23-V54 VanDerWaalsContact CD2-CG1 3.48Å; H23-V54 WeakPolarHBondContact CD2-CG1 3.49Å; G50-V54 PolarHBondContact O-N 2.89Å; P51-V54 PolarHBondContact O-N 3.31Å; V54-E56 VanDerWaalsContact C-N 3.32Å; V54-E56 PolarHBondContact O-N 3.41Å; V54-M57 PolarHBondContact O-N 2.89Å; V54-N58 WeakPolarHBondContact CG1-ND2 3.32Å; V54-N58 WeakPolarHBondContact O-CB 3.44Å; V54-N58 PolarHBondContact O-N 2.88Å; V54-N58 PolarHBondContact O-ND2 3.06Å
55L82.4Confident81.4Confident0 Ų049.7 Ų49.70%026%0.262CS..Hα-helixtrans-62.7-39.1174.3-70.4175.6000111.7A20 A24 L27 P51 V52 N58 K59 Q60 E63 L64A20-L55 HydrophobicContact CB-CD2 4.22Å; A24-L55 HydrophobicContact CB-CD2 4.5Å; L27-L55 HydrophobicContact CD1-CD1 3.66Å; P51-L55 WeakPolarHBondContact O-CG 3.35Å; P51-L55 PolarHBondContact O-N 3.31Å; V52-L55 PolarHBondContact O-N 3.25Å; L55-N58 CarbonylContact O-C 3.14Å; L55-N58 PolarHBondContact O-N 2.99Å; L55-K59 PolarHBondContact O-N 2.93Å; L55-K59 VanDerWaalsContact O-N 3.15Å; L55-Q60 HydrophobicContact CB-CB 4.19Å; L55-Q60 HydrophobicContact CD2-CB 3.84Å; L55-Q60 HydrophobicContact CD2-CG 4.08Å; L55-Q60 WeakPolarHBondContact O-CB 3.4Å; L55-Q60 PolarHBondContact O-N 3.36Å; L55-E63 HydrophobicContact CD1-CB 4.05Å; L55-E63 HydrophobicContact CD2-CB 4.14Å; L55-E63 HydrophobicContact CD2-CG 4.36Å; L55-L64 HydrophobicContact CB-CD1 4.5Å; L55-L64 HydrophobicContact CB-CD2 3.82Å; L55-L64 HydrophobicContact CB-CG 3.99Å; L55-L64 HydrophobicContact CD1-CD2 4.42Å
56E82.9Confident81Confident74 Ų7450.9 Ų50.935%0.34627%0.271SS..Hα-helixtrans-65.1-45.1173.6-79-173.5164.700112.9V52 S53 V54 N58 K59 L64 R98V52-E56 WeakPolarHBondContact O-CG 3.29Å; V52-E56 PolarHBondContact O-N 3.08Å; S53-E56 PolarHBondContact O-N 3.48Å; V54-E56 VanDerWaalsContact C-N 3.32Å; V54-E56 PolarHBondContact O-N 3.41Å; E56-N58 PolarHBondContact O-N 3.45Å; E56-K59 PolarHBondContact O-N 3.5Å; E56-L64 HydrophobicContact CB-CD1 4.27Å; E56-L64 HydrophobicContact CG-CD1 3.46Å; E56-L64 VanDerWaalsContact CG-CD1 3.46Å; E56-L64 HydrophobicContact CG-CD2 3.99Å; E56-L64 HydrophobicContact CG-CG 4.38Å; E56-R98 VanDerWaalsContact CD-NH2 3.29Å; E56-R98 VanDerWaalsContact OE1-CB 3.24Å; E56-R98 WeakPolarHBondContact OE1-CB 3.48Å; E56-R98 WeakPolarHBondContact OE1-CG 3.25Å; E56-R98 IonicContact OE1-CZ 2.63Å; E56-R98 IonicContact OE1-NE 3.2Å; E56-R98 PolarHBondContact OE1-NE 3Å; E56-R98 IonicContact OE1-NH2 3.03Å; E56-R98 IonicContact OE2-CZ 3.57Å; E56-R98 IonicContact OE2-NE 2.61Å; E56-R98 PolarHBondContact OE2-NE 2.86Å; E56-R98 IonicContact OE2-NH2 3.45Å; E56-R98 PolarHBondContact OE2-NH2 3.28Å
57M78.1Confident80.3Confident87 Ų8752.7 Ų52.743%0.42928%0.28SS..Hα-helixtrans-60.7-36.7177-73.5178.657.800111.6Q7 S53 V54 K59Q7-M57 HydrophobicContact CG-CE 3.47Å; Q7-M57 VanDerWaalsContact CG-CE 3.47Å; S53-M57 WeakPolarHBondContact O-CB 3.34Å; S53-M57 VanDerWaalsContact O-CG 3.26Å; S53-M57 WeakPolarHBondContact O-CG 2.96Å; S53-M57 PolarHBondContact O-N 3.27Å; V54-M57 PolarHBondContact O-N 2.89Å; M57-K59 VanDerWaalsContact C-N 3.28Å; M57-K59 PolarHBondContact O-N 3.29Å
58N77.9Confident79.6Confident17 Ų1753.7 Ų53.79%0.09129%0.291CS..THydrogen-bonded Turntrans-85.78.7176.9-75-69000114.1E10 S16 A20 V54 L55 E56 Q60E10-N58 PolarHBondContact OE1-ND2 2.95Å; E10-N58 VanDerWaalsContact OE1-ND2 3.08Å; S16-N58 WeakPolarHBondContact CB-OD1 3.44Å; S16-N58 PolarHBondContact OG-OD1 3.04Å; A20-N58 HydrophobicContact CB-CB 4.41Å; V54-N58 WeakPolarHBondContact CG1-ND2 3.32Å; V54-N58 WeakPolarHBondContact O-CB 3.44Å; V54-N58 PolarHBondContact O-N 2.88Å; V54-N58 PolarHBondContact O-ND2 3.06Å; L55-N58 CarbonylContact O-C 3.14Å; L55-N58 PolarHBondContact O-N 2.99Å; E56-N58 PolarHBondContact O-N 3.45Å; N58-Q60 HydrophobicContact CB-CG 3.88Å; N58-Q60 PolarHBondContact O-N 2.71Å; N58-Q60 VanDerWaalsContact O-N 3.16Å; N58-Q60 PolarHBondContact O-NE2 3.45Å
59K80Confident79.1Confident160 Ų16054.5 Ų54.570%0.69630%0.295SS*.THydrogen-bonded Turntrans54.131.3178.7-56.7179.5-179.2176.40114.1L55 E56 M57 H61L55-K59 PolarHBondContact O-N 2.93Å; L55-K59 VanDerWaalsContact O-N 3.15Å; E56-K59 PolarHBondContact O-N 3.5Å; M57-K59 VanDerWaalsContact C-N 3.28Å; M57-K59 PolarHBondContact O-N 3.29Å; K59-H61 PolarHBondContact O-CD2 3.07Å; K59-H61 PolarHBondContact O-N 3.41Å
60Q79.3Confident78.5Confident54 Ų5454.6 Ų54.625%0.25230%0.295SS..  trans-80.765.9-178.4-63.8-59.2-5300110.7A20 L55 N58 C62 E63 L64A20-Q60 HydrophobicContact CB-CG 3.68Å; L55-Q60 HydrophobicContact CB-CB 4.19Å; L55-Q60 HydrophobicContact CD2-CB 3.84Å; L55-Q60 HydrophobicContact CD2-CG 4.08Å; L55-Q60 WeakPolarHBondContact O-CB 3.4Å; L55-Q60 PolarHBondContact O-N 3.36Å; N58-Q60 HydrophobicContact CB-CG 3.88Å; N58-Q60 PolarHBondContact O-N 2.71Å; N58-Q60 VanDerWaalsContact O-N 3.16Å; N58-Q60 PolarHBondContact O-NE2 3.45Å; Q60-C62 VanDerWaalsContact C-N 3.27Å; Q60-C62 PolarHBondContact O-N 3.4Å; Q60-E63 HydrophobicContact CB-CB 4.26Å; Q60-E63 HydrophobicContact CB-CG 4.35Å; Q60-E63 VanDerWaalsContact CB-OE2 3.3Å; Q60-E63 WeakPolarHBondContact CB-OE2 3.3Å; Q60-E63 PolarHBondContact O-N 3.49Å; Q60-E63 PolarHBondContact OE1-OE2 3.26Å; Q60-L64 VanDerWaalsContact O-CG 3.3Å; Q60-L64 WeakPolarHBondContact O-CG 3.42Å; Q60-L64 PolarHBondContact O-N 2.96Å; Q60-L64 VanDerWaalsContact O-N 3.08Å
61H77.3Confident77.8Confident119 Ų11955.1 Ų55.155%0.55129%0.294SS*.Hα-helixtrans-65.2-29.3-174.9-66.4-62.3000113.1K59 N65K59-H61 PolarHBondContact O-CD2 3.07Å; K59-H61 PolarHBondContact O-N 3.41Å; H61-N65 VanDerWaalsContact O-CB 3.25Å; H61-N65 WeakPolarHBondContact O-CB 3.33Å; H61-N65 PolarHBondContact O-N 3.23Å; H61-N65 PolarHBondContact O-ND2 3.26Å; H61-N65 VanDerWaalsContact O-ND2 3.16Å
62C75.7Confident77.3Confident103 Ų10359.3 Ų59.370%0.69631%0.313SS*.Hα-helixtrans-65.7-44.5178.4-66.40000111.1Q60 N65 S66Q60-C62 VanDerWaalsContact C-N 3.27Å; Q60-C62 PolarHBondContact O-N 3.4Å; C62-N65 CarbonylContact O-C 3.54Å; C62-N65 PolarHBondContact O-N 2.88Å; C62-S66 PolarHBondContact O-N 3.33Å
63E75.6Confident76.8Confident61 Ų6159.7 Ų59.729%0.28532%0.315SS..Hα-helixtrans-68-44.8178.8-66.871-165.200110.1L55 Q60 N65 S66 L69L55-E63 HydrophobicContact CD1-CB 4.05Å; L55-E63 HydrophobicContact CD2-CB 4.14Å; L55-E63 HydrophobicContact CD2-CG 4.36Å; Q60-E63 HydrophobicContact CB-CB 4.26Å; Q60-E63 HydrophobicContact CB-CG 4.35Å; Q60-E63 VanDerWaalsContact CB-OE2 3.3Å; Q60-E63 WeakPolarHBondContact CB-OE2 3.3Å; Q60-E63 PolarHBondContact O-N 3.49Å; Q60-E63 PolarHBondContact OE1-OE2 3.26Å; E63-N65 VanDerWaalsContact C-N 3.26Å; E63-N65 PolarHBondContact O-N 3.25Å; E63-S66 WeakPolarHBondContact O-CB 3.44Å; E63-S66 PolarHBondContact O-N 2.72Å; E63-S66 VanDerWaalsContact O-N 3.1Å; E63-L69 HydrophobicContact CB-CD1 4.2Å; E63-L69 WeakPolarHBondContact O-CD1 3.45Å
64L76.7Confident76.1Confident8 Ų858.3 Ų58.34%0.04231%0.305CS..Hα-helixtrans-62.7-33177.7-71.2168.8000113.4V52 L55 E56 Q60 T96 L97V52-L64 HydrophobicContact CG1-CD2 3.82Å; L55-L64 HydrophobicContact CB-CD1 4.5Å; L55-L64 HydrophobicContact CB-CD2 3.82Å; L55-L64 HydrophobicContact CB-CG 3.99Å; L55-L64 HydrophobicContact CD1-CD2 4.42Å; E56-L64 HydrophobicContact CB-CD1 4.27Å; E56-L64 HydrophobicContact CG-CD1 3.46Å; E56-L64 VanDerWaalsContact CG-CD1 3.46Å; E56-L64 HydrophobicContact CG-CD2 3.99Å; E56-L64 HydrophobicContact CG-CG 4.38Å; Q60-L64 VanDerWaalsContact O-CG 3.3Å; Q60-L64 WeakPolarHBondContact O-CG 3.42Å; Q60-L64 PolarHBondContact O-N 2.96Å; Q60-L64 VanDerWaalsContact O-N 3.08Å; L64-T96 WeakPolarHBondContact O-CA 3.01Å; L64-L97 HydrophobicContact CD2-CB 4.39Å; L64-L97 PolarHBondContact O-N 3.36Å
65N76.3Confident75.1Confident86 Ų8659 Ų5946%0.4632%0.318SS..THydrogen-bonded Turntrans-94.63.9178.8-61.9-18.6000112.4H61 C62 E63 I67 T96H61-N65 VanDerWaalsContact O-CB 3.25Å; H61-N65 WeakPolarHBondContact O-CB 3.33Å; H61-N65 PolarHBondContact O-N 3.23Å; H61-N65 PolarHBondContact O-ND2 3.26Å; H61-N65 VanDerWaalsContact O-ND2 3.16Å; C62-N65 CarbonylContact O-C 3.54Å; C62-N65 PolarHBondContact O-N 2.88Å; E63-N65 VanDerWaalsContact C-N 3.26Å; E63-N65 PolarHBondContact O-N 3.25Å; N65-I67 PolarHBondContact O-N 2.91Å; N65-T96 WeakPolarHBondContact OD1-CG2 3.24Å
66S76.8Confident74Confident34 Ų3460.7 Ų60.724%0.23833%0.327CS..  trans-68.8107.3-179.3179.10000110.1C62 E63 V68 L69 L70C62-S66 PolarHBondContact O-N 3.33Å; E63-S66 WeakPolarHBondContact O-CB 3.44Å; E63-S66 PolarHBondContact O-N 2.72Å; E63-S66 VanDerWaalsContact O-N 3.1Å; S66-V68 PolarHBondContact O-N 3.17Å; S66-V68 PolarHBondContact OG-N 2.64Å; S66-L69 PolarHBondContact O-N 3.18Å; S66-L69 VanDerWaalsContact O-N 3.17Å; S66-L69 PolarHBondContact OG-N 2.89Å; S66-L70 WeakPolarHBondContact O-CB 3.26Å; S66-L70 PolarHBondContact O-N 3.15Å
67I70.3Confident72.8Confident118 Ų11864.3 Ų64.361%0.60534%0.344SS*.Hα-helixtrans-57.3-29.7173.3-63.8173.1000110.8N65 S71N65-I67 PolarHBondContact O-N 2.91Å; I67-S71 VanDerWaalsContact O-CB 3.24Å; I67-S71 WeakPolarHBondContact O-CB 3.45Å; I67-S71 PolarHBondContact O-N 3.38Å; I67-S71 PolarHBondContact O-OG 2.94Å
68V71.8Confident72.1Confident91 Ų9164.3 Ų64.355%0.55235%0.346SS*.Hα-helixtrans-67.4-50.7177.2179.80000110.6S66 L70 S71 Q72S66-V68 PolarHBondContact O-N 3.17Å; S66-V68 PolarHBondContact OG-N 2.64Å; V68-L70 VanDerWaalsContact C-N 3.33Å; V68-L70 PolarHBondContact O-N 2.66Å; V68-S71 PolarHBondContact O-N 3.24Å; V68-Q72 WeakPolarHBondContact O-CG 3.31Å; V68-Q72 PolarHBondContact O-N 3.36Å
69L74.7Confident71.5Confident18 Ų1863.8 Ų63.89%0.09434%0.343CS..Hα-helixtrans-62.5-43.3176.9-71.6176.1000110.8T28 E63 S66 S71 Q72 V73 L97T28-L69 HydrophobicContact CG2-CD2 3.71Å; E63-L69 HydrophobicContact CB-CD1 4.2Å; E63-L69 WeakPolarHBondContact O-CD1 3.45Å; S66-L69 PolarHBondContact O-N 3.18Å; S66-L69 VanDerWaalsContact O-N 3.17Å; S66-L69 PolarHBondContact OG-N 2.89Å; L69-S71 VanDerWaalsContact C-N 3.32Å; L69-S71 PolarHBondContact O-N 2.92Å; L69-Q72 PolarHBondContact O-N 3Å; L69-V73 VanDerWaalsContact O-CG2 3.29Å; L69-V73 WeakPolarHBondContact O-CG2 3.31Å; L69-V73 PolarHBondContact O-N 3.28Å; L69-L97 HydrophobicContact CB-CD1 4.04Å; L69-L97 HydrophobicContact CD1-CD1 4.39Å
70L73.9Confident70.7Confident16 Ų1662.8 Ų62.88%0.08433%0.334CS..Hα-helixtrans-57.5-46.1174.6179.570.2000111.5S66 V68 Q72 V73 C74 L95 L97 F100S66-L70 WeakPolarHBondContact O-CB 3.26Å; S66-L70 PolarHBondContact O-N 3.15Å; V68-L70 VanDerWaalsContact C-N 3.33Å; V68-L70 PolarHBondContact O-N 2.66Å; L70-Q72 VanDerWaalsContact C-N 3.34Å; L70-Q72 PolarHBondContact O-N 3.07Å; L70-V73 PolarHBondContact O-N 3.27Å; L70-C74 WeakPolarHBondContact O-CB 3.25Å; L70-C74 PolarHBondContact O-N 3.01Å; L70-C74 PolarHBondContact O-SG 2.9Å; L70-L95 HydrophobicContact CD1-CD2 3.6Å; L70-L95 HydrophobicContact CD2-CB 3.92Å; L70-L95 HydrophobicContact CD2-CD2 3.48Å; L70-L95 VanDerWaalsContact CD2-CD2 3.48Å; L70-L95 HydrophobicContact CD2-CG 4.27Å; L70-L95 HydrophobicContact CG-CD2 4.14Å; L70-L97 HydrophobicContact CB-CD2 4.28Å; L70-L97 HydrophobicContact CD1-CD2 4.17Å; L70-F100 HydrophobicContact CD1-CB 3.56Å; L70-F100 HydrophobicContact CD1-CD2 4.24Å; L70-F100 HydrophobicContact CD1-CG 3.89Å
71S70.6Confident70.1Confident44 Ų4465 Ų6531%0.30835%0.345SS..Hα-helixtrans-66.3-36-179.3-63.50000112.6I67 V68 L69 C74 G75I67-S71 VanDerWaalsContact O-CB 3.24Å; I67-S71 WeakPolarHBondContact O-CB 3.45Å; I67-S71 PolarHBondContact O-N 3.38Å; I67-S71 PolarHBondContact O-OG 2.94Å; V68-S71 PolarHBondContact O-N 3.24Å; L69-S71 VanDerWaalsContact C-N 3.32Å; L69-S71 PolarHBondContact O-N 2.92Å; S71-C74 CarbonylContact O-C 3.59Å; S71-G75 PolarHBondContact O-N 3.32Å
72Q74.2Confident69.7Low97 Ų9763.3 Ų63.345%0.45334%0.336SS..Hα-helixtrans-68-48176.2-74.8172.8-19.300111.5V68 L69 L70 C74 G75V68-Q72 WeakPolarHBondContact O-CG 3.31Å; V68-Q72 PolarHBondContact O-N 3.36Å; L69-Q72 PolarHBondContact O-N 3Å; L70-Q72 VanDerWaalsContact C-N 3.34Å; L70-Q72 PolarHBondContact O-N 3.07Å; Q72-C74 VanDerWaalsContact C-N 3.33Å; Q72-C74 PolarHBondContact O-N 3.34Å; Q72-G75 VanDerWaalsContact O-CA 3.26Å; Q72-G75 WeakPolarHBondContact O-CA 3.44Å; Q72-G75 PolarHBondContact O-N 3.49Å
73V73.7Confident69.1Low7 Ų759 Ų594%0.04231%0.306CS..Hα-helixtrans-66.3-39.3177.3178.80000110.3L27 F44 V48 L69 L70 G75 L97 F100L27-V73 HydrophobicContact CB-CG2 4.23Å; L27-V73 HydrophobicContact CD2-CG2 4.17Å; F44-V73 HydrophobicContact CZ-CG1 3.84Å; F44-V73 WeakPolarHBondContact CZ-O 3.46Å; V48-V73 HydrophobicContact CB-CG1 4.44Å; V48-V73 HydrophobicContact CG1-CG1 3.92Å; V48-V73 HydrophobicContact CG2-CG1 3.54Å; L69-V73 VanDerWaalsContact O-CG2 3.29Å; L69-V73 WeakPolarHBondContact O-CG2 3.31Å; L69-V73 PolarHBondContact O-N 3.28Å; L70-V73 PolarHBondContact O-N 3.27Å; V73-G75 PolarHBondContact O-N 2.95Å; V73-L97 HydrophobicContact CB-CD2 4.48Å; V73-L97 HydrophobicContact CG2-CD2 4.27Å; V73-F100 HydrophobicContact CB-CE1 4.41Å; V73-F100 HydrophobicContact CG1-CD1 4.1Å; V73-F100 HydrophobicContact CG1-CE1 3.37Å; V73-F100 HydrophobicContact CG1-CZ 4.03Å
74C70.4Confident68.6Low3 Ų357.4 Ų57.42%0.0230%0.303CS..THydrogen-bonded Turntrans-69.510.1172.4-67.40000113.4L70 S71 Q72 I76 R80 F100L70-C74 WeakPolarHBondContact O-CB 3.25Å; L70-C74 PolarHBondContact O-N 3.01Å; L70-C74 PolarHBondContact O-SG 2.9Å; S71-C74 CarbonylContact O-C 3.59Å; Q72-C74 VanDerWaalsContact C-N 3.33Å; Q72-C74 PolarHBondContact O-N 3.34Å; C74-I76 PolarHBondContact O-N 3.47Å; C74-R80 HydrophobicContact CB-CG 3.92Å; C74-R80 WeakPolarHBondContact O-CG 3.36Å; C74-F100 HydrophobicContact CB-CE2 4.44Å; C74-F100 WeakPolarHBondContact SG-CD2 3.37Å; C74-F100 WeakPolarHBondContact SG-CE2 3.38Å
75G59.4Low68.1Low43 Ų4364.2 Ų64.244%0.44333%0.334SS..  trans-54.920.4-160.900000119.4S71 Q72 V73S71-G75 PolarHBondContact O-N 3.32Å; Q72-G75 VanDerWaalsContact O-CA 3.26Å; Q72-G75 WeakPolarHBondContact O-CA 3.44Å; Q72-G75 PolarHBondContact O-N 3.49Å; V73-G75 PolarHBondContact O-N 2.95Å
76I58.1Low67.5Low35 Ų3564.9 Ų64.918%0.17933%0.334CS..SBendtrans-124.2126.3174.2-58.4159.9000107.8L33 C74 N78 L79 R80L33-I76 HydrophobicContact CB-CD1 3.42Å; L33-I76 VanDerWaalsContact CB-CD1 3.42Å; L33-I76 HydrophobicContact CG-CD1 4.46Å; L33-I76 WeakPolarHBondContact O-CD1 3.37Å; C74-I76 PolarHBondContact O-N 3.47Å; I76-N78 HydrophobicContact CG2-CB 3.83Å; I76-N78 PolarHBondContact O-N 2.87Å; I76-L79 HydrophobicContact CB-CB 4.36Å; I76-L79 HydrophobicContact CB-CD1 4.3Å; I76-L79 HydrophobicContact CB-CG 4.28Å; I76-L79 HydrophobicContact CD1-CD1 3.85Å; I76-L79 HydrophobicContact CD1-CG 4.41Å; I76-L79 PolarHBondContact O-N 2.87Å; I76-R80 PolarHBondContact O-N 3.34Å
77Q57.7Low66.6Low149 Ų14964 Ų6470%0.69633%0.327SS*.Hα-helixtrans-48.2-42.5172.9-81.2178.7-25.700111.6L79 R80 E81Q77-L79 PolarHBondContact O-N 3.49Å; Q77-R80 CarbonylContact O-C 3.52Å; Q77-R80 PolarHBondContact O-N 3.27Å; Q77-E81 VanDerWaalsContact O-CB 3.31Å; Q77-E81 WeakPolarHBondContact O-CB 3.32Å; Q77-E81 VanDerWaalsContact O-CG 3.26Å; Q77-E81 WeakPolarHBondContact O-CG 3.46Å; Q77-E81 PolarHBondContact O-N 3.27Å
78N63.2Low65.8Low88 Ų8865.5 Ų65.547%0.47133%0.331SS..Hα-helixtrans-59.8-40.4176.1-66.8-5.7000113.9I76 K82I76-N78 HydrophobicContact CG2-CB 3.83Å; I76-N78 PolarHBondContact O-N 2.87Å; N78-K82 WeakPolarHBondContact O-CB 3.41Å; N78-K82 VanDerWaalsContact O-CG 3.29Å; N78-K82 WeakPolarHBondContact O-CG 3.39Å; N78-K82 PolarHBondContact O-N 3.14Å
79L65.7Low64.8Low5 Ų565.8 Ų65.83%0.02634%0.338CS..Hα-helixtrans-72.6-41.1175.2-70.9173.8000110.4L33 F44 I76 Q77 E81 K82 L83 W103L33-L79 HydrophobicContact CD1-CD1 3.53Å; L33-L79 HydrophobicContact CD1-CD2 4.27Å; L33-L79 HydrophobicContact CD1-CG 4.39Å; F44-L79 HydrophobicContact CE1-CD1 4.47Å; I76-L79 HydrophobicContact CB-CB 4.36Å; I76-L79 HydrophobicContact CB-CD1 4.3Å; I76-L79 HydrophobicContact CB-CG 4.28Å; I76-L79 HydrophobicContact CD1-CD1 3.85Å; I76-L79 HydrophobicContact CD1-CG 4.41Å; I76-L79 PolarHBondContact O-N 2.87Å; Q77-L79 PolarHBondContact O-N 3.49Å; L79-E81 VanDerWaalsContact C-N 3.28Å; L79-E81 PolarHBondContact O-N 2.84Å; L79-K82 PolarHBondContact O-N 3.02Å; L79-L83 WeakPolarHBondContact O-CA 3.49Å; L79-L83 WeakPolarHBondContact O-CB 3.35Å; L79-L83 PolarHBondContact O-N 3.35Å; L79-W103 HydrophobicContact CD2-CH2 3.98Å; L79-W103 HydrophobicContact CD2-CZ3 4.22Å
80R63.8Low63.5Low139 Ų13973.7 Ų73.753%0.52537%0.366SS..Hα-helixtrans-61.8-36.8175-67.2-172.980.1-141.57111.9C74 I76 Q77 A84C74-R80 HydrophobicContact CB-CG 3.92Å; C74-R80 WeakPolarHBondContact O-CG 3.36Å; I76-R80 PolarHBondContact O-N 3.34Å; Q77-R80 CarbonylContact O-C 3.52Å; Q77-R80 PolarHBondContact O-N 3.27Å; R80-A84 WeakPolarHBondContact O-CA 3.15Å; R80-A84 WeakPolarHBondContact O-CB 3.27Å; R80-A84 PolarHBondContact O-N 3.48Å
81E66.9Low62.5Low102 Ų10280.8 Ų80.848%0.47739%0.392SS..Hα-helixtrans-71.8-44.9176.8-76.5171.8-165.500111Q77 L79 A84 H85Q77-E81 VanDerWaalsContact O-CB 3.31Å; Q77-E81 WeakPolarHBondContact O-CB 3.32Å; Q77-E81 VanDerWaalsContact O-CG 3.26Å; Q77-E81 WeakPolarHBondContact O-CG 3.46Å; Q77-E81 PolarHBondContact O-N 3.27Å; L79-E81 VanDerWaalsContact C-N 3.28Å; L79-E81 PolarHBondContact O-N 2.84Å; E81-A84 CarbonylContact O-C 3.52Å; E81-A84 PolarHBondContact O-N 3.45Å; E81-H85 WeakPolarHBondContact O-CB 3.42Å; E81-H85 PolarHBondContact O-CD2 2.86Å; E81-H85 PolarHBondContact O-N 2.7Å
82K68Low61.6Low82 Ų8284.3 Ų84.336%0.35741%0.407SS..Hα-helixtrans-66.9-42.6175.8-75.5-175.9176.1-171.30112.6E36 N78 L79 A84 H85 H86 W103E36-K82 VanDerWaalsContact OE1-CE 3.3Å; E36-K82 WeakPolarHBondContact OE1-CE 3.44Å; E36-K82 IonicContact OE1-NZ 2.74Å; E36-K82 PolarHBondContact OE1-NZ 3.42Å; E36-K82 IonicContact OE2-NZ 3.64Å; E36-K82 PolarHBondContact OE2-NZ 2.96Å; N78-K82 WeakPolarHBondContact O-CB 3.41Å; N78-K82 VanDerWaalsContact O-CG 3.29Å; N78-K82 WeakPolarHBondContact O-CG 3.39Å; N78-K82 PolarHBondContact O-N 3.14Å; L79-K82 PolarHBondContact O-N 3.02Å; K82-A84 VanDerWaalsContact C-N 3.33Å; K82-H85 PolarHBondContact O-N 3.37Å; K82-H86 WeakPolarHBondContact O-CB 3.4Å; K82-H86 PolarHBondContact O-N 2.94Å; K82-W103 HydrophobicContact CB-CH2 4.34Å; K82-W103 HydrophobicContact CB-CZ2 4.12Å
83L64.1Low60.6Low14 Ų1488.7 Ų88.77%0.07343%0.427CS..Hα-helixtrans-60.6-46.9170.7-170.693.7000108.7L79 H85 H86 V87 L95 F100 W103L79-L83 WeakPolarHBondContact O-CA 3.49Å; L79-L83 WeakPolarHBondContact O-CB 3.35Å; L79-L83 PolarHBondContact O-N 3.35Å; L83-H85 VanDerWaalsContact C-N 3.33Å; L83-H85 PolarHBondContact O-N 3.29Å; L83-H86 CarbonylContact O-C 3.59Å; L83-H86 PolarHBondContact O-N 2.8Å; L83-H86 VanDerWaalsContact O-N 3.12Å; L83-V87 HydrophobicContact CD1-CG2 4.25Å; L83-V87 HydrophobicContact CD2-CG2 4.46Å; L83-V87 HydrophobicContact CG-CG2 3.81Å; L83-V87 WeakPolarHBondContact O-CA 3.05Å; L83-V87 WeakPolarHBondContact O-CB 3.31Å; L83-V87 WeakPolarHBondContact O-CG2 3.35Å; L83-V87 PolarHBondContact O-N 3.36Å; L83-L95 HydrophobicContact CD2-CD1 4.24Å; L83-L95 HydrophobicContact CD2-CD2 4.34Å; L83-F100 HydrophobicContact CD1-CD2 3.81Å; L83-F100 HydrophobicContact CD1-CE2 4.32Å; L83-W103 HydrophobicContact CB-CH2 4.23Å; L83-W103 HydrophobicContact CB-CZ2 4.33Å; L83-W103 HydrophobicContact CB-CZ3 4.49Å; L83-W103 HydrophobicContact CD1-CB 4.5Å; L83-W103 HydrophobicContact CD1-CD2 3.54Å; L83-W103 HydrophobicContact CD1-CE3 3.48Å; L83-W103 VanDerWaalsContact CD1-CE3 3.48Å; L83-W103 HydrophobicContact CD1-CG 4Å; L83-W103 HydrophobicContact CD1-CH2 4.32Å; L83-W103 HydrophobicContact CD1-CZ2 4.4Å; L83-W103 HydrophobicContact CD1-CZ3 3.89Å
84A64.4Low60Low26 Ų2691.6 Ų91.622%0.21545%0.445CS..Hα-helixtrans-61.3-40.6176.900000111.1R80 E81 K82 H86 V87 H88R80-A84 WeakPolarHBondContact O-CA 3.15Å; R80-A84 WeakPolarHBondContact O-CB 3.27Å; R80-A84 PolarHBondContact O-N 3.48Å; E81-A84 CarbonylContact O-C 3.52Å; E81-A84 PolarHBondContact O-N 3.45Å; K82-A84 VanDerWaalsContact C-N 3.33Å; A84-H86 VanDerWaalsContact C-N 3.32Å; A84-H86 PolarHBondContact O-N 3.35Å; A84-V87 PolarHBondContact O-N 3.39Å; A84-H88 WeakPolarHBondContact O-CA 3.3Å; A84-H88 WeakPolarHBondContact O-CB 3.35Å; A84-H88 VanDerWaalsContact O-CG 3.23Å; A84-H88 PolarHBondContact O-N 3.39Å; A84-H88 PolarHBondContact O-ND1 3.04Å
85H66.8Low60Low151 Ų15192.4 Ų92.470%0.69945%0.449SS*.Hα-helixtrans-65.6-37.1175.2-74.6-55.7000112E81 K82 L83E81-H85 WeakPolarHBondContact O-CB 3.42Å; E81-H85 PolarHBondContact O-CD2 2.86Å; E81-H85 PolarHBondContact O-N 2.7Å; K82-H85 PolarHBondContact O-N 3.37Å; L83-H85 VanDerWaalsContact C-N 3.33Å; L83-H85 PolarHBondContact O-N 3.29Å
86H63.1Low60.8Low101 Ų10191.5 Ų91.547%0.46844%0.435SS..Hα-helixtrans-72.3-40.8176.6-162.885.5000112.1K82 L83 A84 S89 W103K82-H86 WeakPolarHBondContact O-CB 3.4Å; K82-H86 PolarHBondContact O-N 2.94Å; L83-H86 CarbonylContact O-C 3.59Å; L83-H86 PolarHBondContact O-N 2.8Å; L83-H86 VanDerWaalsContact O-N 3.12Å; A84-H86 VanDerWaalsContact C-N 3.32Å; A84-H86 PolarHBondContact O-N 3.35Å; H86-S89 PolarHBondContact O-OG 2.75Å; H86-W103 AromaticContact CD2-CD1 3.21Å; H86-W103 AromaticContact CD2-NE1 3.52Å; H86-W103 AromaticContact CG-CD1 3.55Å; H86-W103 AromaticContact CG-NE1 3.31Å; H86-W103 VanDerWaalsContact CG-NE1 3.31Å; H86-W103 AromaticContact ND1-NE1 3.74Å; H86-W103 AromaticContact NE2-CD1 3.53Å
87V57.3Low61.9Low14 Ų1489.8 Ų89.89%0.08543%0.426CS..Hα-helixtrans-90.2-18.1-173.8177.60000112.3L83 A84 S89 R90 L92 L95L83-V87 HydrophobicContact CD1-CG2 4.25Å; L83-V87 HydrophobicContact CD2-CG2 4.46Å; L83-V87 HydrophobicContact CG-CG2 3.81Å; L83-V87 WeakPolarHBondContact O-CA 3.05Å; L83-V87 WeakPolarHBondContact O-CB 3.31Å; L83-V87 WeakPolarHBondContact O-CG2 3.35Å; L83-V87 PolarHBondContact O-N 3.36Å; A84-V87 PolarHBondContact O-N 3.39Å; V87-S89 PolarHBondContact O-N 2.63Å; V87-R90 CarbonylContact O-C 3.51Å; V87-R90 WeakPolarHBondContact O-CA 3.47Å; V87-R90 PolarHBondContact O-N 3.2Å; V87-R90 VanDerWaalsContact O-O 3.04Å; V87-L92 HydrophobicContact CG1-CB 4.39Å; V87-L92 HydrophobicContact CG1-CD1 3.88Å; V87-L92 HydrophobicContact CG1-CG 4.42Å; V87-L95 HydrophobicContact CB-CD1 4.12Å; V87-L95 HydrophobicContact CG1-CD1 3.5Å; V87-L95 VanDerWaalsContact CG1-CD1 3.5Å; V87-L95 HydrophobicContact CG2-CD1 3.47Å; V87-L95 VanDerWaalsContact CG2-CD1 3.47Å
88H53.3Low63.2Low150 Ų15084.7 Ų84.769%0.69440%0.4SS*.THydrogen-bonded Turntrans-63.8-9.9169.6-94.272.9000112A84A84-H88 WeakPolarHBondContact O-CA 3.3Å; A84-H88 WeakPolarHBondContact O-CB 3.35Å; A84-H88 VanDerWaalsContact O-CG 3.23Å; A84-H88 PolarHBondContact O-N 3.39Å; A84-H88 PolarHBondContact O-ND1 3.04Å
89S52Low64Low97 Ų9785.4 Ų85.468%0.67840%0.401SS*.THydrogen-bonded Turntrans-76.5-24.2166.970.20000113H86 V87H86-S89 PolarHBondContact O-OG 2.75Å; V87-S89 PolarHBondContact O-N 2.63Å
90R47.5Very low64.8Low184 Ų18485.1 Ų85.169%0.69440%0.4SS*.SBendtrans174.5132.2-177.3-121.1163.6164.7-177.8-4.2111.7V87V87-R90 CarbonylContact O-C 3.51Å; V87-R90 WeakPolarHBondContact O-CA 3.47Å; V87-R90 PolarHBondContact O-N 3.2Å; V87-R90 VanDerWaalsContact O-O 3.04Å
91W51.9Low65.8Low165 Ų16578.5 Ų78.563%0.62538%0.375SS*.  trans89.941.8157.4-48.6109.5000121.7E93 T94W91-E93 PolarHBondContact O-N 3.03Å; W91-T94 WeakPolarHBondContact CB-OG1 3.44Å; W91-T94 HydrophobicContact CE3-CG2 3.88Å; W91-T94 HydrophobicContact CZ3-CG2 4.19Å
92L52.4Low66.6Low118 Ų11876.9 Ų76.962%0.61837%0.369SS*.G310 helixtrans-65.8-26.3171.4-137.3108000113.2V87V87-L92 HydrophobicContact CG1-CB 4.39Å; V87-L92 HydrophobicContact CG1-CD1 3.88Å; V87-L92 HydrophobicContact CG1-CG 4.42Å
93E53.5Low67.3Low189 Ų18973.8 Ų73.888%0.88336%0.355SS*.G310 helixtrans-83.7-10.5-176.2-66.9-179.2170.300114.4W91W91-E93 PolarHBondContact O-N 3.03Å
94T61.2Low68.2Low68 Ų6873.5 Ų73.542%0.41735%0.354SS..G310 helixtrans-12419-179.765.70000112.6W91 T96W91-T94 WeakPolarHBondContact CB-OG1 3.44Å; W91-T94 HydrophobicContact CE3-CG2 3.88Å; W91-T94 HydrophobicContact CZ3-CG2 4.19Å; T94-T96 PolarHBondContact O-N 3.32Å; T94-T96 VanDerWaalsContact O-N 3.12Å
95L70.1Confident69.1Low21 Ų2174.5 Ų74.511%0.1135%0.353CS..  trans-75.7107.6-174.6-145.4139.2000109.8L70 L83 V87 H99 F100L70-L95 HydrophobicContact CD1-CD2 3.6Å; L70-L95 HydrophobicContact CD2-CB 3.92Å; L70-L95 HydrophobicContact CD2-CD2 3.48Å; L70-L95 VanDerWaalsContact CD2-CD2 3.48Å; L70-L95 HydrophobicContact CD2-CG 4.27Å; L70-L95 HydrophobicContact CG-CD2 4.14Å; L83-L95 HydrophobicContact CD2-CD1 4.24Å; L83-L95 HydrophobicContact CD2-CD2 4.34Å; V87-L95 HydrophobicContact CB-CD1 4.12Å; V87-L95 HydrophobicContact CG1-CD1 3.5Å; V87-L95 VanDerWaalsContact CG1-CD1 3.5Å; V87-L95 HydrophobicContact CG2-CD1 3.47Å; V87-L95 VanDerWaalsContact CG2-CD1 3.47Å; L95-H99 HydrophobicContact CG-CB 4.43Å; L95-F100 HydrophobicContact CD2-CB 4.11Å
96T76.6Confident69.8Low23 Ų2371.6 Ų71.614%0.14134%0.343CS..  trans-93.3160.4174.979.30000109.9L64 N65 T94 R98 H99 F100L64-T96 WeakPolarHBondContact O-CA 3.01Å; N65-T96 WeakPolarHBondContact OD1-CG2 3.24Å; T94-T96 PolarHBondContact O-N 3.32Å; T94-T96 VanDerWaalsContact O-N 3.12Å; T96-R98 PolarHBondContact O-N 3.36Å; T96-R98 PolarHBondContact OG1-N 3.36Å; T96-H99 WeakPolarHBondContact O-CB 3.37Å; T96-H99 PolarHBondContact O-N 3.1Å; T96-H99 PolarHBondContact OG1-N 3.45Å; T96-H99 PolarHBondContact OG1-ND1 3.45Å; T96-F100 PolarHBondContact O-N 3.39Å; T96-F100 VanDerWaalsContact O-N 3.1Å
97L81.1Confident70.7Confident0 Ų067.7 Ų67.70%033%0.325CS..Hα-helixtrans-54.9-32.5173.4-77.8171000112.5L27 V52 L64 L69 L70 V73 F100 V101L27-L97 HydrophobicContact CD1-CD1 3.79Å; V52-L97 HydrophobicContact CG1-CB 4.35Å; V52-L97 HydrophobicContact CG2-CB 3.83Å; V52-L97 HydrophobicContact CG2-CD1 4.36Å; L64-L97 HydrophobicContact CD2-CB 4.39Å; L64-L97 PolarHBondContact O-N 3.36Å; L69-L97 HydrophobicContact CB-CD1 4.04Å; L69-L97 HydrophobicContact CD1-CD1 4.39Å; L70-L97 HydrophobicContact CB-CD2 4.28Å; L70-L97 HydrophobicContact CD1-CD2 4.17Å; V73-L97 HydrophobicContact CB-CD2 4.48Å; V73-L97 HydrophobicContact CG2-CD2 4.27Å; L97-F100 WeakPolarHBondContact O-CB 3.15Å; L97-F100 PolarHBondContact O-N 2.84Å; L97-V101 WeakPolarHBondContact O-CG2 3.44Å; L97-V101 PolarHBondContact O-N 3.14Å
98R83.4Confident71.8Confident41 Ų4167.4 Ų67.416%0.15533%0.325CS..Hα-helixtrans-64-46174.4176.655.866.4-160.72.1112.1N49 V52 S53 E56 T96 F100 V101 D102N49-R98 PolarHBondContact OD1-NH1 3.13Å; V52-R98 HydrophobicContact CG1-CB 4.4Å; S53-R98 PolarHBondContact OG-NH2 3.49Å; E56-R98 VanDerWaalsContact CD-NH2 3.29Å; E56-R98 VanDerWaalsContact OE1-CB 3.24Å; E56-R98 WeakPolarHBondContact OE1-CB 3.48Å; E56-R98 WeakPolarHBondContact OE1-CG 3.25Å; E56-R98 IonicContact OE1-CZ 2.63Å; E56-R98 IonicContact OE1-NE 3.2Å; E56-R98 PolarHBondContact OE1-NE 3Å; E56-R98 IonicContact OE1-NH2 3.03Å; E56-R98 IonicContact OE2-CZ 3.57Å; E56-R98 IonicContact OE2-NE 2.61Å; E56-R98 PolarHBondContact OE2-NE 2.86Å; E56-R98 IonicContact OE2-NH2 3.45Å; E56-R98 PolarHBondContact OE2-NH2 3.28Å; T96-R98 PolarHBondContact O-N 3.36Å; T96-R98 PolarHBondContact OG1-N 3.36Å; R98-F100 PolarHBondContact O-N 3.14Å; R98-V101 PolarHBondContact O-N 3.33Å; R98-V101 VanDerWaalsContact O-N 3.14Å; R98-D102 PolarHBondContact O-N 2.9Å
99H81.8Confident73Confident103 Ų10364.2 Ų64.248%0.47731%0.312SS..Hα-helixtrans-60.2-37.7176-67.887.9000111.5L95 T96 D102 W103L95-H99 HydrophobicContact CG-CB 4.43Å; T96-H99 WeakPolarHBondContact O-CB 3.37Å; T96-H99 PolarHBondContact O-N 3.1Å; T96-H99 PolarHBondContact OG1-N 3.45Å; T96-H99 PolarHBondContact OG1-ND1 3.45Å; H99-D102 PolarHBondContact O-N 3.49Å; H99-W103 WeakPolarHBondContact O-CB 3.19Å; H99-W103 PolarHBondContact O-N 3.47Å
100F81.8Confident74.3Confident0 Ų064.7 Ų64.70%030%0.304CS..Hα-helixtrans-63.9-44.9174.2173.4-102.5000112.6F44 V48 L70 V73 C74 L83 L95 T96 L97 R98 W103 L104F44-F100 HydrophobicContact CE1-CE1 4.02Å; F44-F100 AromaticContact CE1-CZ 3.81Å; F44-F100 HydrophobicContact CE1-CZ 3.81Å; F44-F100 HydrophobicContact CZ-CE1 4.34Å; F44-F100 HydrophobicContact CZ-CZ 4.17Å; V48-F100 HydrophobicContact CG1-CD1 4.35Å; V48-F100 HydrophobicContact CG1-CE1 4.33Å; L70-F100 HydrophobicContact CD1-CB 3.56Å; L70-F100 HydrophobicContact CD1-CD2 4.24Å; L70-F100 HydrophobicContact CD1-CG 3.89Å; V73-F100 HydrophobicContact CB-CE1 4.41Å; V73-F100 HydrophobicContact CG1-CD1 4.1Å; V73-F100 HydrophobicContact CG1-CE1 3.37Å; V73-F100 HydrophobicContact CG1-CZ 4.03Å; C74-F100 HydrophobicContact CB-CE2 4.44Å; C74-F100 WeakPolarHBondContact SG-CD2 3.37Å; C74-F100 WeakPolarHBondContact SG-CE2 3.38Å; L83-F100 HydrophobicContact CD1-CD2 3.81Å; L83-F100 HydrophobicContact CD1-CE2 4.32Å; L95-F100 HydrophobicContact CD2-CB 4.11Å; T96-F100 PolarHBondContact O-N 3.39Å; T96-F100 VanDerWaalsContact O-N 3.1Å; L97-F100 WeakPolarHBondContact O-CB 3.15Å; L97-F100 PolarHBondContact O-N 2.84Å; R98-F100 PolarHBondContact O-N 3.14Å; F100-W103 HydrophobicContact CD2-CE3 4.14Å; F100-W103 HydrophobicContact CD2-CZ3 4.49Å; F100-W103 HydrophobicContact CE2-CE3 4.05Å; F100-W103 AromaticContact CE2-CZ3 3.97Å; F100-W103 HydrophobicContact CE2-CZ3 3.97Å; F100-W103 WeakPolarHBondContact O-CB 3.33Å; F100-W103 PolarHBondContact O-N 2.9Å; F100-L104 HydrophobicContact CD1-CD1 3.99Å; F100-L104 HydrophobicContact CD1-CG 4.45Å; F100-L104 HydrophobicContact CE1-CD1 3.39Å; F100-L104 HydrophobicContact CE1-CG 4Å; F100-L104 HydrophobicContact CE2-CD2 4.43Å; F100-L104 HydrophobicContact CE2-CG 4.29Å; F100-L104 HydrophobicContact CZ-CD1 3.73Å; F100-L104 HydrophobicContact CZ-CD2 4.1Å; F100-L104 HydrophobicContact CZ-CG 3.93Å; F100-L104 WeakPolarHBondContact O-CG 3.45Å; F100-L104 PolarHBondContact O-N 3.16Å
101V84.2Confident75.8Confident0 Ų058.3 Ų58.30%028%0.281CS..Hα-helixtrans-63-41.8176.1171.30000111.6Y45 V48 N49 V52 L97 R98 W103 L104 K105Y45-V101 HydrophobicContact CD2-CG1 4.1Å; Y45-V101 HydrophobicContact CE2-CG1 3.49Å; Y45-V101 VanDerWaalsContact CE2-CG1 3.49Å; V48-V101 HydrophobicContact CB-CG2 4.3Å; V48-V101 HydrophobicContact CG1-CG2 3.51Å; N49-V101 HydrophobicContact CB-CG1 3.83Å; N49-V101 WeakPolarHBondContact OD1-CG1 3.34Å; V52-V101 HydrophobicContact CB-CG2 4.24Å; V52-V101 HydrophobicContact CG1-CG2 4.3Å; V52-V101 HydrophobicContact CG2-CG2 3.99Å; L97-V101 WeakPolarHBondContact O-CG2 3.44Å; L97-V101 PolarHBondContact O-N 3.14Å; R98-V101 PolarHBondContact O-N 3.33Å; R98-V101 VanDerWaalsContact O-N 3.14Å; V101-W103 VanDerWaalsContact C-N 3.32Å; V101-W103 PolarHBondContact O-N 3.39Å; V101-L104 WeakPolarHBondContact O-CB 3.32Å; V101-L104 PolarHBondContact O-N 3.38Å; V101-K105 PolarHBondContact O-N 3.03Å
102D83.5Confident76.9Confident67 Ų6752.7 Ų52.736%0.35826%0.26SS..Hα-helixtrans-64.7-37.9175.8-71.6-25.2000111.7R98 H99 K105 N106R98-D102 PolarHBondContact O-N 2.9Å; H99-D102 PolarHBondContact O-N 3.49Å; D102-K105 WeakPolarHBondContact O-CB 3.42Å; D102-K105 PolarHBondContact O-N 3.41Å; D102-N106 PolarHBondContact O-N 2.91Å; D102-N106 PolarHBondContact O-ND2 3.37Å
103W83.4Confident78.1Confident17 Ų1753.6 Ų53.66%0.06426%0.259CS..Hα-helixtrans-64.2-46172.7173.276.1000112.1L79 K82 L83 H86 H99 F100 V101 K105 N106 L107L79-W103 HydrophobicContact CD2-CH2 3.98Å; L79-W103 HydrophobicContact CD2-CZ3 4.22Å; K82-W103 HydrophobicContact CB-CH2 4.34Å; K82-W103 HydrophobicContact CB-CZ2 4.12Å; L83-W103 HydrophobicContact CB-CH2 4.23Å; L83-W103 HydrophobicContact CB-CZ2 4.33Å; L83-W103 HydrophobicContact CB-CZ3 4.49Å; L83-W103 HydrophobicContact CD1-CB 4.5Å; L83-W103 HydrophobicContact CD1-CD2 3.54Å; L83-W103 HydrophobicContact CD1-CE3 3.48Å; L83-W103 VanDerWaalsContact CD1-CE3 3.48Å; L83-W103 HydrophobicContact CD1-CG 4Å; L83-W103 HydrophobicContact CD1-CH2 4.32Å; L83-W103 HydrophobicContact CD1-CZ2 4.4Å; L83-W103 HydrophobicContact CD1-CZ3 3.89Å; H86-W103 AromaticContact CD2-CD1 3.21Å; H86-W103 AromaticContact CD2-NE1 3.52Å; H86-W103 AromaticContact CG-CD1 3.55Å; H86-W103 AromaticContact CG-NE1 3.31Å; H86-W103 VanDerWaalsContact CG-NE1 3.31Å; H86-W103 AromaticContact ND1-NE1 3.74Å; H86-W103 AromaticContact NE2-CD1 3.53Å; H99-W103 WeakPolarHBondContact O-CB 3.19Å; H99-W103 PolarHBondContact O-N 3.47Å; F100-W103 HydrophobicContact CD2-CE3 4.14Å; F100-W103 HydrophobicContact CD2-CZ3 4.49Å; F100-W103 HydrophobicContact CE2-CE3 4.05Å; F100-W103 AromaticContact CE2-CZ3 3.97Å; F100-W103 HydrophobicContact CE2-CZ3 3.97Å; F100-W103 WeakPolarHBondContact O-CB 3.33Å; F100-W103 PolarHBondContact O-N 2.9Å; V101-W103 VanDerWaalsContact C-N 3.32Å; V101-W103 PolarHBondContact O-N 3.39Å; W103-K105 VanDerWaalsContact C-N 3.27Å; W103-K105 PolarHBondContact O-N 3.3Å; W103-N106 PolarHBondContact O-N 3.36Å; W103-N106 VanDerWaalsContact O-N 3.14Å; W103-L107 HydrophobicContact CH2-CD2 3.79Å; W103-L107 HydrophobicContact CZ2-CD2 3.98Å; W103-L107 HydrophobicContact CZ3-CD2 4.23Å; W103-L107 WeakPolarHBondContact O-CB 3.23Å; W103-L107 PolarHBondContact O-N 3.38Å
104L83Confident79.2Confident8 Ų848.8 Ų48.84%0.04224%0.239CC..Hα-helixtrans-57.3-42.4175.3-76175.4000111.7F44 Y45 F100 V101 L107 G108F44-L104 HydrophobicContact CD1-CD1 3.74Å; F44-L104 HydrophobicContact CD1-CD2 4.07Å; F44-L104 HydrophobicContact CE1-CD1 3.59Å; F44-L104 HydrophobicContact CE1-CD2 3.98Å; F44-L104 HydrophobicContact CE1-CG 4.41Å; Y45-L104 HydrophobicContact CD2-CB 4.12Å; F100-L104 HydrophobicContact CD1-CD1 3.99Å; F100-L104 HydrophobicContact CD1-CG 4.45Å; F100-L104 HydrophobicContact CE1-CD1 3.39Å; F100-L104 HydrophobicContact CE1-CG 4Å; F100-L104 HydrophobicContact CE2-CD2 4.43Å; F100-L104 HydrophobicContact CE2-CG 4.29Å; F100-L104 HydrophobicContact CZ-CD1 3.73Å; F100-L104 HydrophobicContact CZ-CD2 4.1Å; F100-L104 HydrophobicContact CZ-CG 3.93Å; F100-L104 WeakPolarHBondContact O-CG 3.45Å; F100-L104 PolarHBondContact O-N 3.16Å; V101-L104 WeakPolarHBondContact O-CB 3.32Å; V101-L104 PolarHBondContact O-N 3.38Å; L104-L107 PolarHBondContact O-N 2.95Å; L104-G108 PolarHBondContact O-N 3.04Å
105K83Confident79.9Confident48 Ų4848 Ų4821%0.20924%0.24CC..Hα-helixtrans-58.1-49.4175.2176.8179.2171.8179.10111.1Y45 V101 D102 W103 L107 G108 I109 V155Y45-K105 HydrophobicContact CD2-CB 4.3Å; Y45-K105 HydrophobicContact CE2-CB 3.76Å; V101-K105 PolarHBondContact O-N 3.03Å; D102-K105 WeakPolarHBondContact O-CB 3.42Å; D102-K105 PolarHBondContact O-N 3.41Å; W103-K105 VanDerWaalsContact C-N 3.27Å; W103-K105 PolarHBondContact O-N 3.3Å; K105-L107 PolarHBondContact O-N 3.24Å; K105-G108 PolarHBondContact O-N 2.95Å; K105-I109 HydrophobicContact CG-CD1 4.06Å; K105-I109 WeakPolarHBondContact O-CG1 3.39Å; K105-I109 PolarHBondContact O-N 3.18Å; K105-V155 HydrophobicContact CD-CG1 4.08Å
106N82.4Confident79.9Confident89 Ų8949 Ų4948%0.47625%0.248SC..Hα-helixtrans-63.7-40.6178.5-70.5-28.5000112.1D102 W103 G108 I109 E110D102-N106 PolarHBondContact O-N 2.91Å; D102-N106 PolarHBondContact O-ND2 3.37Å; W103-N106 PolarHBondContact O-N 3.36Å; W103-N106 VanDerWaalsContact O-N 3.14Å; N106-G108 VanDerWaalsContact C-N 3.34Å; N106-G108 PolarHBondContact O-N 2.87Å; N106-I109 PolarHBondContact O-N 3.1Å; N106-E110 WeakPolarHBondContact O-CB 3.26Å; N106-E110 PolarHBondContact O-N 3.21Å
107L81Confident79.6Confident19 Ų1950.5 Ų50.510%0.09926%0.259CS..Hα-helixtrans-60.7-41.9175.9-178.566.6000111.8L41 W103 L104 K105 E110 K111L41-L107 HydrophobicContact CD2-CD2 4.16Å; W103-L107 HydrophobicContact CH2-CD2 3.79Å; W103-L107 HydrophobicContact CZ2-CD2 3.98Å; W103-L107 HydrophobicContact CZ3-CD2 4.23Å; W103-L107 WeakPolarHBondContact O-CB 3.23Å; W103-L107 PolarHBondContact O-N 3.38Å; L104-L107 PolarHBondContact O-N 2.95Å; K105-L107 PolarHBondContact O-N 3.24Å; L107-E110 PolarHBondContact O-N 2.85Å; L107-K111 WeakPolarHBondContact O-CB 3.43Å; L107-K111 PolarHBondContact O-N 3.16Å
108G80Confident78.7Confident9 Ų956.1 Ų56.19%0.09329%0.289CS..Hα-helixtrans-63.4-46174.900000112.2M38 L104 K105 N106 E110 K111 R112M38-G108 WeakPolarHBondContact CE-O 3.37Å; L104-G108 PolarHBondContact O-N 3.04Å; K105-G108 PolarHBondContact O-N 2.95Å; N106-G108 VanDerWaalsContact C-N 3.34Å; N106-G108 PolarHBondContact O-N 2.87Å; G108-E110 VanDerWaalsContact C-N 3.35Å; G108-E110 PolarHBondContact O-N 3.36Å; G108-K111 PolarHBondContact O-N 2.77Å; G108-R112 PolarHBondContact O-N 2.83Å
109I78.7Confident77.5Confident82 Ų8257.4 Ų57.442%0.42130%0.301SS..Hα-helixtrans-59.8-46.7176.7-66.9165.7000110.5K105 N106 R112 F113K105-I109 HydrophobicContact CG-CD1 4.06Å; K105-I109 WeakPolarHBondContact O-CG1 3.39Å; K105-I109 PolarHBondContact O-N 3.18Å; N106-I109 PolarHBondContact O-N 3.1Å; I109-R112 PolarHBondContact O-N 3.06Å; I109-F113 WeakPolarHBondContact O-CB 3.49Å; I109-F113 PolarHBondContact O-N 3.28Å
110E79.5Confident76.3Confident107 Ų10755.4 Ų55.450%0.530%0.302SS..Hα-helixtrans-61.5-48.2179-173.4-177.8173.600111.6N106 L107 G108 R112 F113 L114N106-E110 WeakPolarHBondContact O-CB 3.26Å; N106-E110 PolarHBondContact O-N 3.21Å; L107-E110 PolarHBondContact O-N 2.85Å; G108-E110 VanDerWaalsContact C-N 3.35Å; G108-E110 PolarHBondContact O-N 3.36Å; E110-R112 VanDerWaalsContact C-N 3.33Å; E110-R112 PolarHBondContact O-N 2.73Å; E110-F113 WeakPolarHBondContact O-CB 3.38Å; E110-F113 PolarHBondContact O-N 2.85Å; E110-F113 VanDerWaalsContact O-N 3.14Å; E110-L114 HydrophobicContact CG-CD1 4.25Å; E110-L114 WeakPolarHBondContact O-CG 3.46Å; E110-L114 PolarHBondContact O-N 3.42Å
111K80.3Confident74.9Confident50 Ų5060.6 Ų60.622%0.21733%0.334CS..Hα-helixtrans-60.3-41.3178.5-83.9-172.1169.8-175.90112.6E36 M38 L41 L107 G108 L114 A115E36-K111 PolarHBondContact O-NZ 3.2Å; E36-K111 IonicContact OE2-NZ 3.73Å; E36-K111 PolarHBondContact OE2-NZ 2.83Å; M38-K111 HydrophobicContact SD-CB 4.13Å; L41-K111 HydrophobicContact CD1-CD 3.49Å; L41-K111 VanDerWaalsContact CD1-CD 3.49Å; L107-K111 WeakPolarHBondContact O-CB 3.43Å; L107-K111 PolarHBondContact O-N 3.16Å; G108-K111 PolarHBondContact O-N 2.77Å; K111-L114 PolarHBondContact O-N 2.94Å; K111-A115 WeakPolarHBondContact O-CB 3.48Å; K111-A115 PolarHBondContact O-N 2.87Å
112R74.4Confident73.3Confident48 Ų4870 Ų7018%0.18138%0.375CS..Hα-helixtrans-67.6-38.9174.3-88.2-160.4-155.2140.412113.2M38 E42 G108 I109 E110 L114 A115 S116M38-R112 HydrophobicContact CE-CG 3.68Å; M38-R112 HydrophobicContact CG-CG 4.18Å; M38-R112 HydrophobicContact SD-CG 3.77Å; E42-R112 IonicContact OE1-CZ 2.63Å; E42-R112 IonicContact OE1-NE 2.75Å; E42-R112 PolarHBondContact OE1-NE 2.92Å; E42-R112 IonicContact OE1-NH2 3.47Å; E42-R112 PolarHBondContact OE1-NH2 2.8Å; E42-R112 IonicContact OE2-NH2 2.77Å; G108-R112 PolarHBondContact O-N 2.83Å; I109-R112 PolarHBondContact O-N 3.06Å; E110-R112 VanDerWaalsContact C-N 3.33Å; E110-R112 PolarHBondContact O-N 2.73Å; R112-L114 VanDerWaalsContact C-N 3.33Å; R112-A115 PolarHBondContact O-N 3.48Å; R112-S116 WeakPolarHBondContact O-CB 3.49Å; R112-S116 PolarHBondContact O-N 3.33Å; R112-S116 PolarHBondContact O-OG 3.42Å
113F76.6Confident71.5Confident136 Ų13669.7 Ų69.760%0.59638%0.378SS*.Hα-helixtrans-60.3-47.1176.3-176-98.8000110.3I109 E110 S116 C117I109-F113 WeakPolarHBondContact O-CB 3.49Å; I109-F113 PolarHBondContact O-N 3.28Å; E110-F113 WeakPolarHBondContact O-CB 3.38Å; E110-F113 PolarHBondContact O-N 2.85Å; E110-F113 VanDerWaalsContact O-N 3.14Å; F113-S116 WeakPolarHBondContact O-CB 3.36Å; F113-S116 PolarHBondContact O-N 3.27Å; F113-C117 PolarHBondContact O-N 3.35Å; F113-C117 PolarHBondContact O-SG 3.49Å; F113-C117 VanDerWaalsContact O-SG 3.35Å
114L77.7Confident69.4Low88 Ų8880.2 Ų80.246%0.46142%0.418SS..Hα-helixtrans-62.9-43.6175.9-68174.7000112.6E110 K111 R112 S116 C117 L118E110-L114 HydrophobicContact CG-CD1 4.25Å; E110-L114 WeakPolarHBondContact O-CG 3.46Å; E110-L114 PolarHBondContact O-N 3.42Å; K111-L114 PolarHBondContact O-N 2.94Å; R112-L114 VanDerWaalsContact C-N 3.33Å; L114-S116 VanDerWaalsContact C-N 3.28Å; L114-S116 PolarHBondContact O-N 3.19Å; L114-C117 PolarHBondContact O-N 2.93Å; L114-L118 WeakPolarHBondContact O-CB 3.37Å; L114-L118 WeakPolarHBondContact O-CG 3.5Å; L114-L118 PolarHBondContact O-N 3.27Å
115A76.2Confident67.5Low52 Ų5283.7 Ų83.743%0.4344%0.441SS..Hα-helixtrans-61.2-37.8175.200000112.1K111 R112 T119K111-A115 WeakPolarHBondContact O-CB 3.48Å; K111-A115 PolarHBondContact O-N 2.87Å; R112-A115 PolarHBondContact O-N 3.48Å; A115-T119 VanDerWaalsContact O-CG2 3.29Å; A115-T119 WeakPolarHBondContact O-CG2 3.33Å; A115-T119 PolarHBondContact O-N 2.86Å; A115-T119 VanDerWaalsContact O-N 3.07Å; A115-T119 PolarHBondContact O-OG1 3.39Å
116S70.3Confident65.5Low41 Ų4188.6 Ų88.629%0.28746%0.464SS..Hα-helixtrans-66.9-41.8175.7-61.50000111.9R112 F113 L114 T119 A120R112-S116 WeakPolarHBondContact O-CB 3.49Å; R112-S116 PolarHBondContact O-N 3.33Å; R112-S116 PolarHBondContact O-OG 3.42Å; F113-S116 WeakPolarHBondContact O-CB 3.36Å; F113-S116 PolarHBondContact O-N 3.27Å; L114-S116 VanDerWaalsContact C-N 3.28Å; L114-S116 PolarHBondContact O-N 3.19Å; S116-T119 PolarHBondContact O-OG1 2.83Å; S116-A120 PolarHBondContact O-N 3.37Å
117C69.5Low63.7Low55 Ų5589.6 Ų89.637%0.37248%0.476SS..Hα-helixtrans-65.7-41.7176.5-69.30000112.3F113 L114 A120 T121F113-C117 PolarHBondContact O-N 3.35Å; F113-C117 PolarHBondContact O-SG 3.49Å; F113-C117 VanDerWaalsContact O-SG 3.35Å; L114-C117 PolarHBondContact O-N 2.93Å; C117-A120 PolarHBondContact O-N 3.25Å; C117-T121 PolarHBondContact O-N 3.45Å
118L63.2Low62.1Low119 Ų11999.5 Ų99.562%0.62351%0.512SS*.Hα-helixtrans-69.5-32.9180-71.8169.1000112.9L114 T121 K122L114-L118 WeakPolarHBondContact O-CB 3.37Å; L114-L118 WeakPolarHBondContact O-CG 3.5Å; L114-L118 PolarHBondContact O-N 3.27Å; L118-T121 PolarHBondContact O-OG1 2.61Å; L118-K122 PolarHBondContact O-N 3.2Å
119T58.1Low60.2Low67 Ų67110 Ų11041%0.41155%0.548SS..Hα-helixtrans-75.4-26.5175.653.90000112.6A115 S116 S123A115-T119 VanDerWaalsContact O-CG2 3.29Å; A115-T119 WeakPolarHBondContact O-CG2 3.33Å; A115-T119 PolarHBondContact O-N 2.86Å; A115-T119 VanDerWaalsContact O-N 3.07Å; A115-T119 PolarHBondContact O-OG1 3.39Å; S116-T119 PolarHBondContact O-OG1 2.83Å; T119-S123 PolarHBondContact O-OG 2.96Å
120A55.4Low58.1Low62 Ų62114.7 Ų114.751%0.51256%0.561SS.*Hα-helixtrans-71.1-33.4173.800000112.8S116 C117 S123S116-A120 PolarHBondContact O-N 3.37Å; C117-A120 PolarHBondContact O-N 3.25Å; A120-S123 PolarHBondContact O-OG 2.93Å
121T52.5Low56.2Low108 Ų108118 Ų11866%0.66358%0.577SS**Hα-helixtrans-78.5-23.4179.256.10000113.2C117 L118C117-T121 PolarHBondContact O-N 3.45Å; L118-T121 PolarHBondContact O-OG1 2.61Å
122K51.6Low54.3Low197 Ų197122.8 Ų122.886%0.85760%0.604SS**Hα-helixtrans-82.3-18.7177-153.6169.6-174.9175.70113.6L118L118-K122 PolarHBondContact O-N 3.2Å
123S45.7Very low52.7Low61 Ų61129.8 Ų129.843%0.42764%0.637SS.*  trans-97.772.1169.462.50000110.7T119 A120 P125T119-S123 PolarHBondContact O-OG 2.96Å; A120-S123 PolarHBondContact O-OG 2.93Å; S123-P125 WeakPolarHBondContact O-CD 3.04Å
124R38.6Very low50.9Low239 Ų239126.6 Ų126.690%0.90264%0.642SS**  trans-62.7112.7160.2-107-176.8174.2178.2-0.9107.2H126R124-H126 PolarHBondContact O-N 3.37Å
125P43.5Very low49.3Very low80 Ų80132.4 Ų132.452%0.51966%0.664SS.*  trans-70128.4171.8-3.421.4000106.9S123 W130S123-P125 WeakPolarHBondContact O-CD 3.04Å; P125-W130 HydrophobicContact CB-CZ2 3.96Å; P125-W130 HydrophobicContact CG-CZ2 3.88Å
126H41Very low47.4Very low151 Ų151132.8 Ų132.870%0.69967%0.673SS**  trans-49.3130172-154.8-53.7000109.4R124 R128R124-H126 PolarHBondContact O-N 3.37Å; H126-R128 VanDerWaalsContact C-N 3.3Å; H126-R128 PolarHBondContact O-N 3.46Å
127P44Very low46.1Very low111 Ų111139.3 Ų139.372%0.72169%0.692SS**SBendtrans-80.973.8-169.531.9-35.8000110.1
128R46.4Very low45.3Very low227 Ų227139.8 Ų139.886%0.85769%0.693SS**SBendtrans-156.618.8173.7-102.2-155.7-88-135.62.4116.7H126H126-R128 VanDerWaalsContact C-N 3.3Å; H126-R128 PolarHBondContact O-N 3.46Å
129R41Very low44.3Very low229 Ų229143 Ų14386%0.86470%0.699SS**  trans-150.852.9-178.1-157179.8-115.5-172-3.1114.5
130W35Very low43.9Very low181 Ų181146.6 Ų146.669%0.68670%0.704SS**  trans-133.846.1178.1-61.780.3000111.7P125P125-W130 HydrophobicContact CB-CZ2 3.96Å; P125-W130 HydrophobicContact CG-CZ2 3.88Å
131E38.9Very low43.7Very low177 Ų177148 Ų14883%0.82770%0.7SS**SBendtrans-102.6128.6154.1-75173.8165.900105.1
132N40.4Very low43.6Very low149 Ų149147.1 Ų147.180%0.79769%0.691SS**SBendtrans98.333.6171.8-45.8-34.8000119.9
133F41.2Very low43.7Very low196 Ų196141.7 Ų141.786%0.8667%0.669SS**  trans-134.299158.1-99.2-86.5000112.9
134G38.1Very low44Very low69 Ų69141.2 Ų141.271%0.71166%0.661SS**SBendtrans-62.6139.7163.900000111.1
135K45.3Very low44.6Very low210 Ų210132.6 Ų132.691%0.91364%0.637SS**SBendtrans56.257.7169.9-56.4-174.8-179.7-178.40114.3Y137K135-Y137 PolarHBondContact O-N 3.29Å; K135-Y137 VanDerWaalsContact O-N 3.15Å
136G36.6Very low44.9Very low60 Ų60133.9 Ų133.962%0.61964%0.639SS**  trans-78.391.3-176.100000114.7
137Y41.6Very low45.3Very low178 Ų178131.1 Ų131.170%0.69863%0.627SS**  trans-74.7124.4139.8-71.5-85.9000107K135 Q141K135-Y137 PolarHBondContact O-N 3.29Å; K135-Y137 VanDerWaalsContact O-N 3.15Å; Y137-Q141 HydrophobicContact CD1-CB 4.31Å
138T52.3Low45.6Very low64 Ų64130 Ų13039%0.39362%0.615SS.*  trans-64.3147.1172.554.90000109.5R140 Q141 I142T138-R140 PolarHBondContact O-N 3.33Å; T138-Q141 WeakPolarHBondContact O-CA 3.42Å; T138-Q141 WeakPolarHBondContact O-CB 3.34Å; T138-Q141 PolarHBondContact O-N 3.06Å; T138-Q141 VanDerWaalsContact OG1-CG 3.3Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.49Å; T138-Q141 PolarHBondContact OG1-N 3.1Å; T138-Q141 PolarHBondContact OG1-OE1 3.48Å; T138-I142 PolarHBondContact O-N 2.91Å
139Y42.6Very low45.9Very low188 Ų188124 Ų12474%0.73760%0.599SS**Hα-helixtrans-47.8-34.8173.8-175.4-92.4000112I142 Q143Y139-I142 PolarHBondContact O-N 3.17Å; Y139-Q143 WeakPolarHBondContact O-CB 3.33Å; Y139-Q143 PolarHBondContact O-N 3.3Å
140R49.7Very low46.4Very low141 Ų141116 Ų11653%0.53258%0.577SS.*Hα-helixtrans-65.1-40.1173.8-126-178.6-161.2177.44.8114.1T138 I142 Q143 N144T138-R140 PolarHBondContact O-N 3.33Å; R140-I142 VanDerWaalsContact C-N 3.32Å; R140-Q143 PolarHBondContact O-N 2.59Å; R140-N144 WeakPolarHBondContact O-CB 3.31Å; R140-N144 PolarHBondContact O-N 2.93Å; R140-N144 PolarHBondContact O-OD1 2.73Å
141Q51.2Low47.1Very low92 Ų92109.6 Ų109.643%0.4355%0.553SS.*Hα-helixtrans-66.4-35.3175.2-77.1165.6-42.800111.9Y137 T138 S145Y137-Q141 HydrophobicContact CD1-CB 4.31Å; T138-Q141 WeakPolarHBondContact O-CA 3.42Å; T138-Q141 WeakPolarHBondContact O-CB 3.34Å; T138-Q141 PolarHBondContact O-N 3.06Å; T138-Q141 VanDerWaalsContact OG1-CG 3.3Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.49Å; T138-Q141 PolarHBondContact OG1-N 3.1Å; T138-Q141 PolarHBondContact OG1-OE1 3.48Å; Q141-S145 WeakPolarHBondContact O-CB 3.07Å; Q141-S145 PolarHBondContact O-N 3.03Å; Q141-S145 PolarHBondContact O-OG 2.92Å
142I51.1Low47.7Very low89 Ų89106.1 Ų106.146%0.45654%0.537SS..Hα-helixtrans-69-44.3175.3-61.5173.6000110.2T138 Y139 R140 N144 S145 L146T138-I142 PolarHBondContact O-N 2.91Å; Y139-I142 PolarHBondContact O-N 3.17Å; R140-I142 VanDerWaalsContact C-N 3.32Å; I142-N144 PolarHBondContact O-N 3.4Å; I142-S145 WeakPolarHBondContact O-CB 3.13Å; I142-S145 PolarHBondContact O-N 3.5Å; I142-L146 HydrophobicContact CG2-CD1 4.13Å; I142-L146 WeakPolarHBondContact O-CG 3.17Å; I142-L146 PolarHBondContact O-N 3.37Å
143Q54.2Low48.3Very low84 Ų84106 Ų10639%0.39353%0.531SS..Hα-helixtrans-65.2-40.8178.6-165.8159.7-22.800112.2Y139 R140 S145 L146 E147Y139-Q143 WeakPolarHBondContact O-CB 3.33Å; Y139-Q143 PolarHBondContact O-N 3.3Å; R140-Q143 PolarHBondContact O-N 2.59Å; Q143-S145 VanDerWaalsContact C-N 3.29Å; Q143-S145 PolarHBondContact O-N 3.5Å; Q143-L146 WeakPolarHBondContact O-CB 3.38Å; Q143-L146 PolarHBondContact O-N 2.85Å; Q143-E147 PolarHBondContact O-N 2.89Å
144N50.3Low48.6Very low50 Ų5099.6 Ų99.627%0.26751%0.51SS..Hα-helixtrans-65.9-32.7174.1-68.43.6000112.3R140 I142 E147 L148R140-N144 WeakPolarHBondContact O-CB 3.31Å; R140-N144 PolarHBondContact O-N 2.93Å; R140-N144 PolarHBondContact O-OD1 2.73Å; I142-N144 PolarHBondContact O-N 3.4Å; N144-E147 PolarHBondContact O-N 3.18Å; N144-L148 WeakPolarHBondContact O-CB 3.46Å; N144-L148 WeakPolarHBondContact O-CD1 3.45Å; N144-L148 WeakPolarHBondContact O-CG 3.43Å; N144-L148 PolarHBondContact O-N 3.28Å
145S51.2Low48.9Very low58 Ų5897.3 Ų97.341%0.40648%0.483SS..Hα-helixtrans-68.9-36.6173.6-58.20000111.6Q141 I142 Q143 L148 L149Q141-S145 WeakPolarHBondContact O-CB 3.07Å; Q141-S145 PolarHBondContact O-N 3.03Å; Q141-S145 PolarHBondContact O-OG 2.92Å; I142-S145 WeakPolarHBondContact O-CB 3.13Å; I142-S145 PolarHBondContact O-N 3.5Å; Q143-S145 VanDerWaalsContact C-N 3.29Å; Q143-S145 PolarHBondContact O-N 3.5Å; S145-L148 PolarHBondContact O-N 3.33Å; S145-L149 WeakPolarHBondContact O-CB 3.34Å; S145-L149 VanDerWaalsContact O-CG 3.25Å; S145-L149 WeakPolarHBondContact O-CG 3.41Å; S145-L149 PolarHBondContact O-N 3.18Å
146L50.7Low48.8Very low107 Ų10795 Ų9556%0.5647%0.47SS*.Hα-helixtrans-69.3-37.7173.9-74.4163.3000112.3I142 Q143 L149 S150I142-L146 HydrophobicContact CG2-CD1 4.13Å; I142-L146 WeakPolarHBondContact O-CG 3.17Å; I142-L146 PolarHBondContact O-N 3.37Å; Q143-L146 WeakPolarHBondContact O-CB 3.38Å; Q143-L146 PolarHBondContact O-N 2.85Å; L146-L149 HydrophobicContact CD2-CD1 4.44Å; L146-L149 WeakPolarHBondContact O-CB 3.45Å; L146-L149 PolarHBondContact O-N 3.04Å; L146-S150 PolarHBondContact O-N 3.03Å
147E49.2Very low49.1Very low93 Ų9398.3 Ų98.344%0.43549%0.491SS..Hα-helixtrans-69.7-35.9173.5-73.7180-173.900112.2Q143 N144 L149 S150 W151Q143-E147 PolarHBondContact O-N 2.89Å; N144-E147 PolarHBondContact O-N 3.18Å; E147-L149 VanDerWaalsContact C-N 3.32Å; E147-S150 PolarHBondContact O-N 3.46Å; E147-W151 WeakPolarHBondContact O-CB 3.42Å; E147-W151 PolarHBondContact O-N 3.07Å
148L51.6Low49.5Very low89 Ų8994.4 Ų94.447%0.46648%0.48SS..Hα-helixtrans-62.2-38.9169-85.1160.8000111.7N144 S145 W151 H152N144-L148 WeakPolarHBondContact O-CB 3.46Å; N144-L148 WeakPolarHBondContact O-CD1 3.45Å; N144-L148 WeakPolarHBondContact O-CG 3.43Å; N144-L148 PolarHBondContact O-N 3.28Å; S145-L148 PolarHBondContact O-N 3.33Å; L148-W151 PolarHBondContact O-N 3.15Å; L148-H152 WeakPolarHBondContact O-CB 3.3Å; L148-H152 PolarHBondContact O-N 3.18Å
149L51.5Low49.4Very low101 Ų10195.9 Ų95.953%0.52949%0.485SS..Hα-helixtrans-69-39.4174.7-75.8164.3000112.2S145 L146 E147 W151 H152 Q153S145-L149 WeakPolarHBondContact O-CB 3.34Å; S145-L149 VanDerWaalsContact O-CG 3.25Å; S145-L149 WeakPolarHBondContact O-CG 3.41Å; S145-L149 PolarHBondContact O-N 3.18Å; L146-L149 HydrophobicContact CD2-CD1 4.44Å; L146-L149 WeakPolarHBondContact O-CB 3.45Å; L146-L149 PolarHBondContact O-N 3.04Å; E147-L149 VanDerWaalsContact C-N 3.32Å; L149-W151 VanDerWaalsContact C-N 3.29Å; L149-W151 PolarHBondContact O-N 3.02Å; L149-H152 CarbonylContact O-C 3.55Å; L149-H152 WeakPolarHBondContact O-CA 3.47Å; L149-H152 WeakPolarHBondContact O-CB 3.37Å; L149-H152 PolarHBondContact O-N 3.36Å; L149-Q153 WeakPolarHBondContact O-CG 3.48Å; L149-Q153 PolarHBondContact O-N 2.99Å
150S52.2Low49.7Very low59 Ų5990.8 Ų90.841%0.41347%0.471SS..Hα-helixtrans-62.3-38.9172.9169.80000111.4L146 E147 Q153 C154L146-S150 PolarHBondContact O-N 3.03Å; E147-S150 PolarHBondContact O-N 3.46Å; S150-Q153 PolarHBondContact O-N 2.81Å; S150-C154 PolarHBondContact O-N 3.35Å
151W50.2Low49.7Very low47 Ų4787.9 Ų87.918%0.17847%0.467CS..Hα-helixtrans-67.4-41.1171.6-96.466.8000112.7E42 Y45 E147 L148 L149 Q153 C154 V155E42-W151 HydrophobicContact CB-CH2 3.43Å; E42-W151 VanDerWaalsContact CB-CH2 3.43Å; E42-W151 HydrophobicContact CB-CZ2 3.39Å; E42-W151 HydrophobicContact CG-CH2 3.3Å; E42-W151 HydrophobicContact CG-CZ2 3.12Å; E42-W151 HydrophobicContact CG-CZ3 4.26Å; E42-W151 WeakPolarHBondContact OE2-CZ2 3.47Å; Y45-W151 HydrophobicContact CD1-CH2 4.41Å; Y45-W151 HydrophobicContact CD1-CZ3 4.11Å; E147-W151 WeakPolarHBondContact O-CB 3.42Å; E147-W151 PolarHBondContact O-N 3.07Å; L148-W151 PolarHBondContact O-N 3.15Å; L149-W151 VanDerWaalsContact C-N 3.29Å; L149-W151 PolarHBondContact O-N 3.02Å; W151-Q153 PolarHBondContact O-N 3Å; W151-C154 PolarHBondContact O-N 3.22Å; W151-V155 HydrophobicContact CE3-CG2 4.09Å; W151-V155 HydrophobicContact CZ3-CG2 4.44Å; W151-V155 WeakPolarHBondContact O-CB 3.49Å; W151-V155 WeakPolarHBondContact O-CG2 3.25Å; W151-V155 PolarHBondContact O-N 3.42Å
152H50.2Low49.6Very low105 Ų10587.6 Ų87.649%0.48647%0.47SS..Hα-helixtrans-58.3-36.8169.7-122.2-91.7000111.4L148 L149 V155 Y156L148-H152 WeakPolarHBondContact O-CB 3.3Å; L148-H152 PolarHBondContact O-N 3.18Å; L149-H152 CarbonylContact O-C 3.55Å; L149-H152 WeakPolarHBondContact O-CA 3.47Å; L149-H152 WeakPolarHBondContact O-CB 3.37Å; L149-H152 PolarHBondContact O-N 3.36Å; H152-V155 PolarHBondContact O-N 2.96Å; H152-Y156 AromaticContact CE1-CD2 3.97Å; H152-Y156 AromaticContact CE1-CE2 3.24Å; H152-Y156 WeakPolarHBondContact CE1-CE2 3.41Å; H152-Y156 AromaticContact CE1-CZ 3.95Å; H152-Y156 AromaticContact ND1-CD2 3.48Å; H152-Y156 WeakPolarHBondContact ND1-CD2 3.5Å; H152-Y156 AromaticContact ND1-CE2 3.25Å; H152-Y156 VanDerWaalsContact ND1-CE2 3.25Å; H152-Y156 WeakPolarHBondContact ND1-CE2 3.29Å; H152-Y156 WeakPolarHBondContact O-CB 3.49Å; H152-Y156 WeakPolarHBondContact O-CD2 3.15Å; H152-Y156 PolarHBondContact O-N 3.47Å; H152-Y156 VanDerWaalsContact O-N 3.1Å
153Q53.4Low49.5Very low145 Ų14587.5 Ų87.568%0.67847%0.471SS*.Hα-helixtrans-72.3-39.8176.3-77.4176.2-21.900112.9L149 S150 W151 V155 Y156 A157L149-Q153 WeakPolarHBondContact O-CG 3.48Å; L149-Q153 PolarHBondContact O-N 2.99Å; S150-Q153 PolarHBondContact O-N 2.81Å; W151-Q153 PolarHBondContact O-N 3Å; Q153-V155 VanDerWaalsContact C-N 3.27Å; Q153-V155 PolarHBondContact O-N 3.42Å; Q153-Y156 PolarHBondContact O-N 3.37Å; Q153-A157 WeakPolarHBondContact O-CB 3.46Å; Q153-A157 PolarHBondContact O-N 2.85Å; Q153-A157 VanDerWaalsContact O-N 3.16Å
154C47.1Very low49.2Very low62 Ų6287.8 Ų87.842%0.41948%0.476SS..Hα-helixtrans-68.9-25.1172.7-84.60000113.3S150 W151S150-C154 PolarHBondContact O-N 3.35Å; W151-C154 PolarHBondContact O-N 3.22Å
155V44.1Very low49.1Very low21 Ų2190.7 Ų90.713%0.12749%0.492CS..Hα-helixtrans-86.6-18.6-179.5168.30000112.4Y45 K105 W151 H152 Q153Y45-V155 HydrophobicContact CE1-CG2 3.92Å; K105-V155 HydrophobicContact CD-CG1 4.08Å; W151-V155 HydrophobicContact CE3-CG2 4.09Å; W151-V155 HydrophobicContact CZ3-CG2 4.44Å; W151-V155 WeakPolarHBondContact O-CB 3.49Å; W151-V155 WeakPolarHBondContact O-CG2 3.25Å; W151-V155 PolarHBondContact O-N 3.42Å; H152-V155 PolarHBondContact O-N 2.96Å; Q153-V155 VanDerWaalsContact C-N 3.27Å; Q153-V155 PolarHBondContact O-N 3.42Å
156Y43.4Very low49Very low163 Ų16393.4 Ų93.464%0.63950%0.5SS*.Hα-helixtrans-117.37.8-178.5-77.5-93000114.3H152 Q153H152-Y156 AromaticContact CE1-CD2 3.97Å; H152-Y156 AromaticContact CE1-CE2 3.24Å; H152-Y156 WeakPolarHBondContact CE1-CE2 3.41Å; H152-Y156 AromaticContact CE1-CZ 3.95Å; H152-Y156 AromaticContact ND1-CD2 3.48Å; H152-Y156 WeakPolarHBondContact ND1-CD2 3.5Å; H152-Y156 AromaticContact ND1-CE2 3.25Å; H152-Y156 VanDerWaalsContact ND1-CE2 3.25Å; H152-Y156 WeakPolarHBondContact ND1-CE2 3.29Å; H152-Y156 WeakPolarHBondContact O-CB 3.49Å; H152-Y156 WeakPolarHBondContact O-CD2 3.15Å; H152-Y156 PolarHBondContact O-N 3.47Å; H152-Y156 VanDerWaalsContact O-N 3.1Å; Q153-Y156 PolarHBondContact O-N 3.37Å
157A43.9Very low48.8Very low129 Ų12992.2 Ų92.2100%1.06649%0.494SS*.  trans-95.60169.500000110.3Q153Q153-A157 WeakPolarHBondContact O-CB 3.46Å; Q153-A157 PolarHBondContact O-N 2.85Å; Q153-A157 VanDerWaalsContact O-N 3.16Å

Retrieved 157 of 157 residues in 46.5 ms (Link to these results)

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