A0A077Z6K6_TRITR Loading...

Acidic repeat-containing protein

AlphaFold DB , UniProt , Accession A0A077Z6K6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 203 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
1M51.4Low64.4Low67 Ų6747.5 Ų47.533%0.3326%0.256SS..  097.70-112.8175.8-66.100107.6L25 F28 A29 V49 M106M1-L25 HydrophobicContact SD-CD2 4.49Å; M1-F28 HydrophobicContact CE-CD1 3.5Å; M1-F28 HydrophobicContact CE-CE1 4.11Å; M1-F28 HydrophobicContact SD-CD1 3.67Å; M1-F28 HydrophobicContact SD-CE1 3.87Å; M1-A29 HydrophobicContact CE-CB 3.75Å; M1-V49 HydrophobicContact CE-CG1 3.87Å; M1-M106 HydrophobicContact CE-CE 4.38Å; M1-M106 HydrophobicContact CG-CE 4.5Å; M1-M106 HydrophobicContact SD-CE 3.76Å; M1-M106 HydrophobicContact SD-SD 4.23Å
2G58.7Low63.8Low15 Ų1548.4 Ų48.416%0.15526%0.26CS..  trans-74.2168.7-158.600000115.3S4 V5 D54G2-S4 PolarHBondContact O-N 3.11Å; G2-V5 PolarHBondContact O-N 3.1Å; G2-D54 VanDerWaalsContact CA-O 3.22Å; G2-D54 WeakPolarHBondContact CA-O 3.35Å; G2-D54 PolarHBondContact N-O 3.21Å
3E68Low63.4Low112 Ų11247.8 Ų47.852%0.52325%0.253SS..Hα-helixtrans-44.5-23-178.7-59.7-59.6131.100115L6 S7 R22E3-L6 PolarHBondContact O-N 3.26Å; E3-S7 WeakPolarHBondContact O-CB 3.43Å; E3-S7 PolarHBondContact O-N 2.95Å; E3-R22 IonicContact OE1-CZ 3.19Å; E3-R22 IonicContact OE1-NH1 2.94Å; E3-R22 PolarHBondContact OE1-NH1 2.91Å; E3-R22 IonicContact OE1-NH2 2.72Å; E3-R22 PolarHBondContact OE1-NH2 2.88Å; E3-R22 IonicContact OE2-CZ 2.68Å; E3-R22 IonicContact OE2-NH2 3.43Å; E3-R22 PolarHBondContact OE2-NH2 3.1Å
4S63.8Low63.4Low44 Ų4450.9 Ų50.931%0.30828%0.276SS..Hα-helixtrans-60.9-45.6173.653.50000113.1G2 L8 M56G2-S4 PolarHBondContact O-N 3.11Å; S4-L8 WeakPolarHBondContact O-CB 3.38Å; S4-L8 PolarHBondContact O-N 2.92Å; S4-M56 PolarHBondContact OG-O 3.03Å
5V63.2Low63.6Low5 Ų559.7 Ų59.73%0.0332%0.315CS..Hα-helixtrans-72.8-37.6-179.9-169.60000110.1G2 L8 L9 L25 V58 L102G2-V5 PolarHBondContact O-N 3.1Å; V5-L8 WeakPolarHBondContact O-CB 3.36Å; V5-L8 PolarHBondContact O-N 2.83Å; V5-L9 HydrophobicContact CG1-CD1 4.34Å; V5-L9 WeakPolarHBondContact O-CB 3.47Å; V5-L9 VanDerWaalsContact O-CG 3.25Å; V5-L9 WeakPolarHBondContact O-CG 3.41Å; V5-L9 PolarHBondContact O-N 2.9Å; V5-L25 HydrophobicContact CB-CD1 4.49Å; V5-L25 HydrophobicContact CB-CD2 4.15Å; V5-L25 HydrophobicContact CG1-CD2 3.57Å; V5-V58 HydrophobicContact CG2-CB 4.35Å; V5-V58 HydrophobicContact CG2-CG2 3.73Å; V5-L102 HydrophobicContact CG1-CD2 4.09Å
6L66.6Low63.2Low6 Ų658 Ų583%0.03131%0.309CS..Hα-helixtrans-64.7-45.4176.5-176.163.6000111.5E3 L8 L9 Q10 E18 L21 R22 L25E3-L6 PolarHBondContact O-N 3.26Å; L6-L8 VanDerWaalsContact C-N 3.33Å; L6-L8 PolarHBondContact O-N 2.87Å; L6-L9 CarbonylContact O-C 3.58Å; L6-L9 PolarHBondContact O-N 3.5Å; L6-L9 VanDerWaalsContact O-N 3.15Å; L6-Q10 WeakPolarHBondContact O-CB 3.39Å; L6-Q10 PolarHBondContact O-N 2.86Å; L6-E18 HydrophobicContact CD1-CG 3.95Å; L6-E18 HydrophobicContact CD2-CG 3.69Å; L6-E18 WeakPolarHBondContact CD2-OE1 3.46Å; L6-E18 HydrophobicContact CG-CG 4.01Å; L6-L21 HydrophobicContact CD1-CB 3.49Å; L6-L21 VanDerWaalsContact CD1-CB 3.49Å; L6-L21 HydrophobicContact CD1-CD1 4.49Å; L6-R22 HydrophobicContact CD1-CG 3.79Å; L6-R22 HydrophobicContact CD2-CG 3.63Å; L6-R22 HydrophobicContact CG-CG 4.38Å; L6-L25 HydrophobicContact CB-CD1 3.84Å; L6-L25 HydrophobicContact CD1-CD1 4.01Å
7S70.2Confident63.8Low63 Ų6361.5 Ų61.544%0.44132%0.323SS..Hα-helixtrans-58.5-44.6173.5169.30000111.4E3 L9 Q10 E11E3-S7 WeakPolarHBondContact O-CB 3.43Å; E3-S7 PolarHBondContact O-N 2.95Å; S7-L9 VanDerWaalsContact C-N 3.31Å; S7-L9 PolarHBondContact O-N 3.13Å; S7-Q10 PolarHBondContact O-N 3.47Å; S7-E11 WeakPolarHBondContact O-CG 3.06Å; S7-E11 PolarHBondContact O-N 2.78Å
8L63.9Low64.3Low10 Ų1063.1 Ų63.15%0.05233%0.329CS..Hα-helixtrans-57.7-44.6174.3-158.986.2000112.1S4 V5 L6 L12 V58 W60 L87S4-L8 WeakPolarHBondContact O-CB 3.38Å; S4-L8 PolarHBondContact O-N 2.92Å; V5-L8 WeakPolarHBondContact O-CB 3.36Å; V5-L8 PolarHBondContact O-N 2.83Å; L6-L8 VanDerWaalsContact C-N 3.33Å; L6-L8 PolarHBondContact O-N 2.87Å; L8-L12 WeakPolarHBondContact O-CB 3.24Å; L8-L12 WeakPolarHBondContact O-CD1 3.06Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 3.02Å; L8-L12 VanDerWaalsContact O-N 3.14Å; L8-V58 HydrophobicContact CD2-CG1 4.05Å; L8-W60 HydrophobicContact CD1-CD2 4.08Å; L8-W60 VanDerWaalsContact CD1-CE2 3.41Å; L8-W60 HydrophobicContact CD1-CG 4.01Å; L8-W60 HydrophobicContact CD1-CZ2 3.95Å; L8-W60 HydrophobicContact CD2-CH2 4.45Å; L8-W60 HydrophobicContact CD2-CZ2 3.8Å; L8-W60 HydrophobicContact CG-CZ2 3.74Å; L8-L87 HydrophobicContact CD2-CD1 3.99Å
9L64.9Low64.7Low18 Ų1864.8 Ų64.89%0.09434%0.335CS..Hα-helixtrans-68.3-38.5178.7-71.6173.4000111.2V5 L6 S7 L12 Y13 L21 L25V5-L9 HydrophobicContact CG1-CD1 4.34Å; V5-L9 WeakPolarHBondContact O-CB 3.47Å; V5-L9 VanDerWaalsContact O-CG 3.25Å; V5-L9 WeakPolarHBondContact O-CG 3.41Å; V5-L9 PolarHBondContact O-N 2.9Å; L6-L9 CarbonylContact O-C 3.58Å; L6-L9 PolarHBondContact O-N 3.5Å; L6-L9 VanDerWaalsContact O-N 3.15Å; S7-L9 VanDerWaalsContact C-N 3.31Å; S7-L9 PolarHBondContact O-N 3.13Å; L9-L12 PolarHBondContact O-N 3Å; L9-Y13 HydrophobicContact CD2-CD2 4.3Å; L9-Y13 HydrophobicContact CD2-CE2 3.93Å; L9-Y13 WeakPolarHBondContact O-CB 3.28Å; L9-Y13 WeakPolarHBondContact O-CD2 3.1Å; L9-Y13 PolarHBondContact O-N 3.33Å; L9-L21 HydrophobicContact CB-CB 4.43Å; L9-L21 HydrophobicContact CB-CD1 3.89Å; L9-L21 HydrophobicContact CB-CD2 4.08Å; L9-L21 HydrophobicContact CB-CG 4.37Å; L9-L25 HydrophobicContact CD1-CD1 4.16Å; L9-L25 HydrophobicContact CD1-CD2 3.76Å; L9-L25 HydrophobicContact CD1-CG 3.83Å
10Q70.9Confident64.5Low54 Ų5466.1 Ų66.125%0.25234%0.338SS..Hα-helixtrans-67.3-38.4178.4-165.666.759.800111.4L6 S7 L12 Y13 P14 C16 L21L6-Q10 WeakPolarHBondContact O-CB 3.39Å; L6-Q10 PolarHBondContact O-N 2.86Å; S7-Q10 PolarHBondContact O-N 3.47Å; Q10-L12 VanDerWaalsContact C-N 3.34Å; Q10-Y13 PolarHBondContact NE2-O 3.46Å; Q10-Y13 CarbonylContact O-C 3.27Å; Q10-Y13 VanDerWaalsContact O-C 3.27Å; Q10-Y13 PolarHBondContact O-N 3.4Å; Q10-P14 PolarHBondContact NE2-O 3.05Å; Q10-P14 VanDerWaalsContact O-CA 3.27Å; Q10-P14 WeakPolarHBondContact O-CA 3.34Å; Q10-P14 VanDerWaalsContact O-N 3.12Å; Q10-C16 PolarHBondContact NE2-O 2.68Å; Q10-L21 HydrophobicContact CB-CD1 4.12Å
11E66.3Low64.3Low128 Ų12863.2 Ų63.260%0.59832%0.323SS*.Hα-helixtrans-63.3-39.4172.6-74.6177.6-174.500112.3S7S7-E11 WeakPolarHBondContact O-CG 3.06Å; S7-E11 PolarHBondContact O-N 2.78Å
12L57.5Low64.9Low59 Ų5963.2 Ų63.231%0.30932%0.319SS..Hα-helixtrans-76-30.7179.4-73.2171000113.5L8 L9 Q10 P14 W60 I98L8-L12 WeakPolarHBondContact O-CB 3.24Å; L8-L12 WeakPolarHBondContact O-CD1 3.06Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 3.02Å; L8-L12 VanDerWaalsContact O-N 3.14Å; L9-L12 PolarHBondContact O-N 3Å; Q10-L12 VanDerWaalsContact C-N 3.34Å; L12-P14 VanDerWaalsContact C-CD 3.5Å; L12-W60 HydrophobicContact CD1-CH2 4.13Å; L12-W60 HydrophobicContact CD1-CZ2 3.6Å; L12-W60 HydrophobicContact CD2-CH2 4.25Å; L12-W60 HydrophobicContact CD2-CZ2 3.72Å; L12-W60 HydrophobicContact CG-CZ2 3.84Å; L12-I98 HydrophobicContact CD1-CD1 3.55Å; L12-I98 HydrophobicContact CD1-CG2 4.3Å; L12-I98 HydrophobicContact CD2-CD1 4.04Å; L12-I98 HydrophobicContact CG-CD1 4.42Å
13Y58.6Low64.8Low41 Ų4166.1 Ų66.116%0.16133%0.332CS..  trans-130.567.2-176.9-50.7-72.8000109.6L9 Q10 E15 C16 L21 A95L9-Y13 HydrophobicContact CD2-CD2 4.3Å; L9-Y13 HydrophobicContact CD2-CE2 3.93Å; L9-Y13 WeakPolarHBondContact O-CB 3.28Å; L9-Y13 WeakPolarHBondContact O-CD2 3.1Å; L9-Y13 PolarHBondContact O-N 3.33Å; Q10-Y13 PolarHBondContact NE2-O 3.46Å; Q10-Y13 CarbonylContact O-C 3.27Å; Q10-Y13 VanDerWaalsContact O-C 3.27Å; Q10-Y13 PolarHBondContact O-N 3.4Å; Y13-E15 PolarHBondContact O-N 3.38Å; Y13-E15 VanDerWaalsContact O-N 3.13Å; Y13-C16 WeakPolarHBondContact O-CB 3.21Å; Y13-C16 PolarHBondContact O-N 2.99Å; Y13-L21 HydrophobicContact CD2-CD2 4.26Å; Y13-A95 HydrophobicContact CE1-CB 4.18Å; Y13-A95 WeakPolarHBondContact OH-CA 3.29Å; Y13-A95 WeakPolarHBondContact OH-CB 3.48Å
14P63.5Low64.3Low90 Ų9063.7 Ų63.758%0.58432%0.322SS*.THydrogen-bonded Turntrans-60.5-27.6-177.424.4-34.4000112.4Q10 L12 C16Q10-P14 PolarHBondContact NE2-O 3.05Å; Q10-P14 VanDerWaalsContact O-CA 3.27Å; Q10-P14 WeakPolarHBondContact O-CA 3.34Å; Q10-P14 VanDerWaalsContact O-N 3.12Å; L12-P14 VanDerWaalsContact C-CD 3.5Å; P14-C16 VanDerWaalsContact C-N 3.29Å; P14-C16 PolarHBondContact O-N 3.32Å
15E66Low64Low183 Ų18362.4 Ų62.486%0.85531%0.312SS*.THydrogen-bonded Turntrans-75.8-13.3177-53.1-60.6160.900113.8Y13Y13-E15 PolarHBondContact O-N 3.38Å; Y13-E15 VanDerWaalsContact O-N 3.13Å
16C58.6Low63.6Low33 Ų3368.5 Ų68.522%0.22333%0.334CS..SBendtrans-88.6129.8-178.9-170.30000109.7Q10 Y13 P14 E18 L21Q10-C16 PolarHBondContact NE2-O 2.68Å; Y13-C16 WeakPolarHBondContact O-CB 3.21Å; Y13-C16 PolarHBondContact O-N 2.99Å; P14-C16 VanDerWaalsContact C-N 3.29Å; P14-C16 PolarHBondContact O-N 3.32Å; C16-E18 PolarHBondContact O-N 3.16Å; C16-L21 HydrophobicContact CB-CD1 4.36Å; C16-L21 HydrophobicContact CB-CD2 3.95Å; C16-L21 HydrophobicContact CB-CG 4.09Å; C16-L21 VanDerWaalsContact SG-CD2 3.56Å
17E72.2Confident62.8Low118 Ų11870.6 Ų70.655%0.55135%0.352SS*.  trans-58.9135.1172.4-68.4168155.300110.2E19 K20 L21E17-E19 PolarHBondContact O-N 2.67Å; E17-E19 VanDerWaalsContact O-N 3.17Å; E17-K20 HydrophobicContact CB-CD 4.36Å; E17-K20 HydrophobicContact CB-CG 4.36Å; E17-K20 WeakPolarHBondContact O-CB 3.28Å; E17-K20 PolarHBondContact O-N 3.2Å; E17-K20 WeakPolarHBondContact OE2-CE 3.36Å; E17-K20 IonicContact OE2-NZ 2.87Å; E17-K20 PolarHBondContact OE2-NZ 3.24Å; E17-L21 PolarHBondContact O-N 3.3Å
18E73.5Confident61.8Low89 Ų8969.3 Ų69.342%0.41634%0.339SS..Hα-helixtrans-53.4-39.1-178.8-171.9-173.2131.800111.4L6 C16 K20 L21 R22L6-E18 HydrophobicContact CD1-CG 3.95Å; L6-E18 HydrophobicContact CD2-CG 3.69Å; L6-E18 WeakPolarHBondContact CD2-OE1 3.46Å; L6-E18 HydrophobicContact CG-CG 4.01Å; C16-E18 PolarHBondContact O-N 3.16Å; E18-K20 VanDerWaalsContact C-N 3.3Å; E18-K20 PolarHBondContact O-N 2.7Å; E18-L21 CarbonylContact O-C 3.53Å; E18-L21 WeakPolarHBondContact O-CA 3.21Å; E18-L21 WeakPolarHBondContact O-CB 3.03Å; E18-L21 PolarHBondContact O-N 3.33Å; E18-R22 HydrophobicContact CG-CG 4.48Å; E18-R22 WeakPolarHBondContact O-CG 3.21Å; E18-R22 PolarHBondContact O-N 2.95Å; E18-R22 IonicContact OE1-CZ 2.92Å; E18-R22 IonicContact OE1-NE 3.04Å; E18-R22 PolarHBondContact OE1-NE 3.2Å; E18-R22 IonicContact OE1-NH2 3.88Å; E18-R22 PolarHBondContact OE1-NH2 2.71Å
19E71.8Confident61.1Low96 Ų9670.2 Ų70.245%0.44935%0.348SS..Hα-helixtrans-62.5-36.2178.5-167.760.9-161.100112.2E17 L21 R22 D23 R26E17-E19 PolarHBondContact O-N 2.67Å; E17-E19 VanDerWaalsContact O-N 3.17Å; E19-L21 VanDerWaalsContact C-N 3.32Å; E19-L21 PolarHBondContact O-N 2.89Å; E19-R22 CarbonylContact O-C 3.57Å; E19-R22 WeakPolarHBondContact O-CB 3.2Å; E19-R22 PolarHBondContact O-N 3.21Å; E19-D23 WeakPolarHBondContact O-CB 3.33Å; E19-D23 PolarHBondContact O-N 2.85Å; E19-R26 IonicContact OE1-CZ 3.77Å; E19-R26 VanDerWaalsContact OE1-CZ 3.26Å; E19-R26 IonicContact OE1-NH1 3.86Å; E19-R26 PolarHBondContact OE1-NH1 3.41Å; E19-R26 IonicContact OE1-NH2 3.26Å; E19-R26 PolarHBondContact OE1-NH2 2.81Å; E19-R26 IonicContact OE2-NH2 2.73Å
20K59.6Low59.8Low91 Ų9170.9 Ų70.940%0.39636%0.359SS..Hα-helixtrans-68.7-33.4174.6-69.4177.2178.41480111.7E17 E18 L24E17-K20 HydrophobicContact CB-CD 4.36Å; E17-K20 HydrophobicContact CB-CG 4.36Å; E17-K20 WeakPolarHBondContact O-CB 3.28Å; E17-K20 PolarHBondContact O-N 3.2Å; E17-K20 WeakPolarHBondContact OE2-CE 3.36Å; E17-K20 IonicContact OE2-NZ 2.87Å; E17-K20 PolarHBondContact OE2-NZ 3.24Å; E18-K20 VanDerWaalsContact C-N 3.3Å; E18-K20 PolarHBondContact O-N 2.7Å; K20-L24 WeakPolarHBondContact O-CB 3.03Å; K20-L24 PolarHBondContact O-N 3.06Å
21L61.7Low58.4Low5 Ų571.8 Ų71.83%0.02637%0.368CS..Hα-helixtrans-72-38.5173.2-61.4178.7000111.2L6 L9 Q10 Y13 C16 E17 E18 E19 D23 L24 L25L6-L21 HydrophobicContact CD1-CB 3.49Å; L6-L21 VanDerWaalsContact CD1-CB 3.49Å; L6-L21 HydrophobicContact CD1-CD1 4.49Å; L9-L21 HydrophobicContact CB-CB 4.43Å; L9-L21 HydrophobicContact CB-CD1 3.89Å; L9-L21 HydrophobicContact CB-CD2 4.08Å; L9-L21 HydrophobicContact CB-CG 4.37Å; Q10-L21 HydrophobicContact CB-CD1 4.12Å; Y13-L21 HydrophobicContact CD2-CD2 4.26Å; C16-L21 HydrophobicContact CB-CD1 4.36Å; C16-L21 HydrophobicContact CB-CD2 3.95Å; C16-L21 HydrophobicContact CB-CG 4.09Å; C16-L21 VanDerWaalsContact SG-CD2 3.56Å; E17-L21 PolarHBondContact O-N 3.3Å; E18-L21 CarbonylContact O-C 3.53Å; E18-L21 WeakPolarHBondContact O-CA 3.21Å; E18-L21 WeakPolarHBondContact O-CB 3.03Å; E18-L21 PolarHBondContact O-N 3.33Å; E19-L21 VanDerWaalsContact C-N 3.32Å; E19-L21 PolarHBondContact O-N 2.89Å; L21-D23 VanDerWaalsContact C-N 3.34Å; L21-L24 WeakPolarHBondContact O-CB 3.36Å; L21-L24 PolarHBondContact O-N 3.24Å; L21-L25 VanDerWaalsContact O-CG 3.32Å; L21-L25 WeakPolarHBondContact O-CG 2.99Å; L21-L25 PolarHBondContact O-N 2.07Å
22R64Low57.1Low67 Ų6767.2 Ų67.225%0.25335%0.349SS..Hα-helixtrans-62.3-42.8170.9-72.8-174.4-178.9-82-2.3110.6E3 L6 E18 E19 L24 L25 R26E3-R22 IonicContact OE1-CZ 3.19Å; E3-R22 IonicContact OE1-NH1 2.94Å; E3-R22 PolarHBondContact OE1-NH1 2.91Å; E3-R22 IonicContact OE1-NH2 2.72Å; E3-R22 PolarHBondContact OE1-NH2 2.88Å; E3-R22 IonicContact OE2-CZ 2.68Å; E3-R22 IonicContact OE2-NH2 3.43Å; E3-R22 PolarHBondContact OE2-NH2 3.1Å; L6-R22 HydrophobicContact CD1-CG 3.79Å; L6-R22 HydrophobicContact CD2-CG 3.63Å; L6-R22 HydrophobicContact CG-CG 4.38Å; E18-R22 HydrophobicContact CG-CG 4.48Å; E18-R22 WeakPolarHBondContact O-CG 3.21Å; E18-R22 PolarHBondContact O-N 2.95Å; E18-R22 IonicContact OE1-CZ 2.92Å; E18-R22 IonicContact OE1-NE 3.04Å; E18-R22 PolarHBondContact OE1-NE 3.2Å; E18-R22 IonicContact OE1-NH2 3.88Å; E18-R22 PolarHBondContact OE1-NH2 2.71Å; E19-R22 CarbonylContact O-C 3.57Å; E19-R22 WeakPolarHBondContact O-CB 3.2Å; E19-R22 PolarHBondContact O-N 3.21Å; R22-L24 VanDerWaalsContact C-N 3.32Å; R22-L24 PolarHBondContact O-N 2.8Å; R22-L25 CarbonylContact O-C 3.48Å; R22-L25 WeakPolarHBondContact O-CA 3.44Å; R22-L25 WeakPolarHBondContact O-CB 3.1Å; R22-L25 PolarHBondContact O-N 3.14Å; R22-L25 VanDerWaalsContact O-N 3.11Å; R22-R26 WeakPolarHBondContact O-CB 3.08Å; R22-R26 VanDerWaalsContact O-CG 3.28Å; R22-R26 WeakPolarHBondContact O-CG 3.24Å; R22-R26 PolarHBondContact O-N 2.89Å
23D57Low56.1Low77 Ų7765.8 Ų65.841%0.41234%0.342SS..Hα-helixtrans-64.7-37.5174.4-78.8-18.2000111.8E19 L21 L25 R26 A27E19-D23 WeakPolarHBondContact O-CB 3.33Å; E19-D23 PolarHBondContact O-N 2.85Å; L21-D23 VanDerWaalsContact C-N 3.34Å; D23-L25 VanDerWaalsContact C-N 3.32Å; D23-L25 PolarHBondContact O-N 3.41Å; D23-R26 PolarHBondContact O-N 2.89Å; D23-R26 IonicContact OD1-CZ 2.84Å; D23-R26 IonicContact OD1-NH1 2.61Å; D23-R26 PolarHBondContact OD1-NH1 3.22Å; D23-A27 WeakPolarHBondContact O-CA 3.39Å; D23-A27 WeakPolarHBondContact O-CB 3.26Å; D23-A27 PolarHBondContact O-N 3.27Å
24L55.6Low54.9Low60 Ų6069.7 Ų69.731%0.31437%0.365SS..Hα-helixtrans-61.6-42.5170.7-175.669.9000111K20 L21 R22 F28 F190K20-L24 WeakPolarHBondContact O-CB 3.03Å; K20-L24 PolarHBondContact O-N 3.06Å; L21-L24 WeakPolarHBondContact O-CB 3.36Å; L21-L24 PolarHBondContact O-N 3.24Å; R22-L24 VanDerWaalsContact C-N 3.32Å; R22-L24 PolarHBondContact O-N 2.8Å; L24-F28 WeakPolarHBondContact O-CB 3.48Å; L24-F28 PolarHBondContact O-N 2.92Å; L24-F190 HydrophobicContact CD1-CE2 3.94Å; L24-F190 HydrophobicContact CD1-CZ 4.07Å
25L58.1Low53.8Low18 Ų1872.3 Ų72.39%0.09437%0.37CS..Hα-helixtrans-69.9-36.9176.6-70.3174000113M1 V5 L6 L9 L21 R22 D23 F28 A29M1-L25 HydrophobicContact SD-CD2 4.49Å; V5-L25 HydrophobicContact CB-CD1 4.49Å; V5-L25 HydrophobicContact CB-CD2 4.15Å; V5-L25 HydrophobicContact CG1-CD2 3.57Å; L6-L25 HydrophobicContact CB-CD1 3.84Å; L6-L25 HydrophobicContact CD1-CD1 4.01Å; L9-L25 HydrophobicContact CD1-CD1 4.16Å; L9-L25 HydrophobicContact CD1-CD2 3.76Å; L9-L25 HydrophobicContact CD1-CG 3.83Å; L21-L25 VanDerWaalsContact O-CG 3.32Å; L21-L25 WeakPolarHBondContact O-CG 2.99Å; L21-L25 PolarHBondContact O-N 2.07Å; R22-L25 CarbonylContact O-C 3.48Å; R22-L25 WeakPolarHBondContact O-CA 3.44Å; R22-L25 WeakPolarHBondContact O-CB 3.1Å; R22-L25 PolarHBondContact O-N 3.14Å; R22-L25 VanDerWaalsContact O-N 3.11Å; D23-L25 VanDerWaalsContact C-N 3.32Å; D23-L25 PolarHBondContact O-N 3.41Å; L25-F28 WeakPolarHBondContact O-CB 3.46Å; L25-F28 PolarHBondContact O-N 3.23Å; L25-A29 WeakPolarHBondContact O-CB 3.41Å; L25-A29 PolarHBondContact O-N 3.45Å
26R55.8Low52.5Low132 Ų13270.8 Ų70.850%0.49836%0.363SS..Hα-helixtrans-70.4-43.6175.1-74.3178-165.7143.22.4110.4E19 R22 D23 F28 A29 G30E19-R26 IonicContact OE1-CZ 3.77Å; E19-R26 VanDerWaalsContact OE1-CZ 3.26Å; E19-R26 IonicContact OE1-NH1 3.86Å; E19-R26 PolarHBondContact OE1-NH1 3.41Å; E19-R26 IonicContact OE1-NH2 3.26Å; E19-R26 PolarHBondContact OE1-NH2 2.81Å; E19-R26 IonicContact OE2-NH2 2.73Å; R22-R26 WeakPolarHBondContact O-CB 3.08Å; R22-R26 VanDerWaalsContact O-CG 3.28Å; R22-R26 WeakPolarHBondContact O-CG 3.24Å; R22-R26 PolarHBondContact O-N 2.89Å; D23-R26 PolarHBondContact O-N 2.89Å; D23-R26 IonicContact OD1-CZ 2.84Å; D23-R26 IonicContact OD1-NH1 2.61Å; D23-R26 PolarHBondContact OD1-NH1 3.22Å; R26-F28 VanDerWaalsContact C-N 3.28Å; R26-F28 PolarHBondContact O-N 3.38Å; R26-A29 CarbonylContact O-C 3.59Å; R26-A29 WeakPolarHBondContact O-CB 3.27Å; R26-A29 PolarHBondContact O-N 2.81Å; R26-G30 PolarHBondContact O-N 3.36Å
27A49Very low51.6Low51 Ų5174.5 Ų74.542%0.42139%0.386SS..Hα-helixtrans-60-44.7170.700000108.7D23 A29 G30 V31D23-A27 WeakPolarHBondContact O-CA 3.39Å; D23-A27 WeakPolarHBondContact O-CB 3.26Å; D23-A27 PolarHBondContact O-N 3.27Å; A27-A29 VanDerWaalsContact C-N 3.33Å; A27-A29 PolarHBondContact O-N 3.35Å; A27-G30 CarbonylContact O-C 3.56Å; A27-G30 PolarHBondContact O-N 3.11Å; A27-V31 WeakPolarHBondContact O-CA 3.26Å; A27-V31 WeakPolarHBondContact O-CB 3.3Å; A27-V31 WeakPolarHBondContact O-CG2 3.35Å; A27-V31 PolarHBondContact O-N 3.32Å
28F49.1Very low50.3Low35 Ų3573.5 Ų73.515%0.15439%0.39CS..Hα-helixtrans-60.1-41.9175.4-170.6-79.5000112.5M1 L24 L25 R26 L103 M106M1-F28 HydrophobicContact CE-CD1 3.5Å; M1-F28 HydrophobicContact CE-CE1 4.11Å; M1-F28 HydrophobicContact SD-CD1 3.67Å; M1-F28 HydrophobicContact SD-CE1 3.87Å; L24-F28 WeakPolarHBondContact O-CB 3.48Å; L24-F28 PolarHBondContact O-N 2.92Å; L25-F28 WeakPolarHBondContact O-CB 3.46Å; L25-F28 PolarHBondContact O-N 3.23Å; R26-F28 VanDerWaalsContact C-N 3.28Å; R26-F28 PolarHBondContact O-N 3.38Å; F28-L103 HydrophobicContact CD2-CD2 4.33Å; F28-L103 HydrophobicContact CE1-CD2 3.93Å; F28-L103 HydrophobicContact CE2-CD1 3.99Å; F28-L103 HydrophobicContact CE2-CD2 3.31Å; F28-L103 HydrophobicContact CE2-CG 3.42Å; F28-L103 VanDerWaalsContact CE2-CG 3.42Å; F28-L103 HydrophobicContact CZ-CD2 3.08Å; F28-L103 HydrophobicContact CZ-CG 3.49Å; F28-L103 VanDerWaalsContact CZ-CG 3.49Å; F28-M106 HydrophobicContact CE1-CE 3.66Å; F28-M106 HydrophobicContact CE1-SD 3.39Å; F28-M106 WeakPolarHBondContact CE1-SD 3.32Å; F28-M106 HydrophobicContact CZ-CE 4.43Å; F28-M106 HydrophobicContact CZ-SD 3.59Å; F28-M106 VanDerWaalsContact CZ-SD 3.59Å
29A48.8Very low49Very low29 Ų2977.7 Ų77.724%0.2440%0.402CS..Hα-helixtrans-63.3-49.7171.900000111M1 L25 R26 A27 V31 T32 L33M1-A29 HydrophobicContact CE-CB 3.75Å; L25-A29 WeakPolarHBondContact O-CB 3.41Å; L25-A29 PolarHBondContact O-N 3.45Å; R26-A29 CarbonylContact O-C 3.59Å; R26-A29 WeakPolarHBondContact O-CB 3.27Å; R26-A29 PolarHBondContact O-N 2.81Å; A27-A29 VanDerWaalsContact C-N 3.33Å; A27-A29 PolarHBondContact O-N 3.35Å; A29-V31 PolarHBondContact O-N 3.03Å; A29-T32 PolarHBondContact O-N 3Å; A29-T32 PolarHBondContact O-OG1 2.81Å; A29-L33 VanDerWaalsContact O-CD1 3.25Å; A29-L33 WeakPolarHBondContact O-CD1 3.21Å; A29-L33 WeakPolarHBondContact O-CG 3.42Å
30G37.9Very low47.5Very low33 Ų3379.8 Ų79.834%0.3442%0.424SS..Hα-helixtrans-68.8-32.4-177.600000114.9R26 A27 T32 L33R26-G30 PolarHBondContact O-N 3.36Å; A27-G30 CarbonylContact O-C 3.56Å; A27-G30 PolarHBondContact O-N 3.11Å; G30-T32 PolarHBondContact O-N 2.8Å; G30-L33 PolarHBondContact O-N 3.4Å
31V41.8Very low47Very low73 Ų7379.6 Ų79.644%0.44245%0.448SS..Hα-helixtrans-64.9-19.7176.4165.40000111A27 A29 H135A27-V31 WeakPolarHBondContact O-CA 3.26Å; A27-V31 WeakPolarHBondContact O-CB 3.3Å; A27-V31 WeakPolarHBondContact O-CG2 3.35Å; A27-V31 PolarHBondContact O-N 3.32Å; A29-V31 PolarHBondContact O-N 3.03Å; V31-H135 WeakPolarHBondContact CG1-NE2 3.43Å; V31-H135 WeakPolarHBondContact CG2-NE2 3.4Å
32T40.2Very low46Very low31 Ų3183.4 Ų83.419%0.1947%0.472CS..THydrogen-bonded Turntrans-88.1-6.2172.266.10000114.8A29 G30 V49A29-T32 PolarHBondContact O-N 3Å; A29-T32 PolarHBondContact O-OG1 2.81Å; G30-T32 PolarHBondContact O-N 2.8Å; T32-V49 VanDerWaalsContact CB-CG2 3.43Å; T32-V49 HydrophobicContact CG2-CB 4.44Å; T32-V49 HydrophobicContact CG2-CG2 3.5Å; T32-V49 VanDerWaalsContact CG2-CG2 3.5Å; T32-V49 WeakPolarHBondContact OG1-CB 3.46Å; T32-V49 WeakPolarHBondContact OG1-CG2 3.25Å
33L34.9Very low44.8Very low30 Ų3088 Ų8816%0.15750%0.5CS..THydrogen-bonded Turntrans-111.5-29.2-159.5-64172.4000117.1A29 G30 T48 E50A29-L33 VanDerWaalsContact O-CD1 3.25Å; A29-L33 WeakPolarHBondContact O-CD1 3.21Å; A29-L33 WeakPolarHBondContact O-CG 3.42Å; G30-L33 PolarHBondContact O-N 3.4Å; L33-T48 HydrophobicContact CD2-CG2 3.33Å; L33-E50 HydrophobicContact CD1-CG 3.79Å; L33-E50 WeakPolarHBondContact CD1-OE1 2.98Å; L33-E50 HydrophobicContact CD2-CG 4.14Å
34N34.2Very low44Very low122 Ų12293.3 Ų93.365%0.65252%0.515SS*.SBendtrans-136.712.4-149.8-80.3-34.9000121.8
35E40.2Very low43.3Very low146 Ų14695.7 Ų95.768%0.68253%0.527SS*.  trans-133.748.4-172.4-63.1-165.8160.900118.4
36Q37.9Very low42.6Very low151 Ų151102.7 Ų102.771%0.70656%0.557SS**  trans-134.5125.5150.3-70-83.1-79.600109.4
37P41.5Very low42.1Very low110 Ų110100.9 Ų100.971%0.71455%0.551SS**PPolyproline II helixtrans-58.3140.816025.8-31000108.2R39P37-R39 PolarHBondContact O-N 3.44Å
38P43.9Very low41.9Very low97 Ų97100 Ų10063%0.6354%0.54SS*.PPolyproline II helixtrans-56.6131.1-179.623.6-32.2000109.3
39R46Very low41.7Very low178 Ų17899.2 Ų99.267%0.67254%0.539SS*.PPolyproline II helixtrans-60.5134.3165.3-64.7-178.6-154.8-122.5-0.7107.1P37 G41 T42P37-R39 PolarHBondContact O-N 3.44Å; R39-G41 PolarHBondContact O-N 3.27Å; R39-G41 VanDerWaalsContact O-N 3.11Å; R39-T42 PolarHBondContact O-N 3.11Å
40P40.4Very low41.6Very low139 Ų139104.2 Ų104.290%0.90356%0.557SS**THydrogen-bonded Turntrans-50.4123.4171.4-24.333000109.5
41G49.6Very low42.4Very low88 Ų88106.2 Ų106.291%0.90756%0.558SS**THydrogen-bonded Turntrans901.1179.700000117R39R39-G41 PolarHBondContact O-N 3.27Å; R39-G41 VanDerWaalsContact O-N 3.11Å
42T39.6Very low43.4Very low85 Ų85103.6 Ų103.652%0.52154%0.541SS..  trans-102118.7170.2-43.20000109.8R39 R44R39-T42 PolarHBondContact O-N 3.11Å; T42-R44 PolarHBondContact O-N 2.86Å; T42-R44 VanDerWaalsContact O-N 3.1Å
43L39.8Very low44.4Very low164 Ų164105 Ų10586%0.85955%0.551SS**  trans-54.6119.9167.2-75167.7000107.7N45L43-N45 PolarHBondContact O-N 2.79Å
44R40.8Very low45.3Very low188 Ų188109.7 Ų109.771%0.70958%0.576SS**  trans-46.7114.1172.2-170.3-178.7-165.4-142.71.5106.6T42 K46T42-R44 PolarHBondContact O-N 2.86Å; T42-R44 VanDerWaalsContact O-N 3.1Å; R44-K46 VanDerWaalsContact C-N 3.27Å; R44-K46 PolarHBondContact O-N 2.9Å
45N40.3Very low46.3Very low109 Ų109113 Ų11358%0.58359%0.585SS**  trans-60.5102.3169.9-110.5-20.9000105L43 Y47L43-N45 PolarHBondContact O-N 2.79Å; N45-Y47 HydrophobicContact CB-CD2 4.18Å; N45-Y47 PolarHBondContact O-N 3.34Å; N45-Y47 WeakPolarHBondContact OD1-CD2 2.96Å
46K43.4Very low47.7Very low165 Ų165106.9 Ų106.972%0.71756%0.556SS**  trans-72.627.9-174.5-164.3-172.2172.8178.50111.2R44 Q51R44-K46 VanDerWaalsContact C-N 3.27Å; R44-K46 PolarHBondContact O-N 2.9Å; K46-Q51 PolarHBondContact O-NE2 3.21Å
47Y45.6Very low49.7Very low94 Ų94104.3 Ų104.337%0.36954%0.544SS..  trans-111.694.1-166.6-63.9-71.5000108.9N45 Q51 I114 K127 W128N45-Y47 HydrophobicContact CB-CD2 4.18Å; N45-Y47 PolarHBondContact O-N 3.34Å; N45-Y47 WeakPolarHBondContact OD1-CD2 2.96Å; Y47-Q51 VanDerWaalsContact CD1-OE1 3.23Å; Y47-I114 HydrophobicContact CD1-CG2 3.5Å; Y47-I114 HydrophobicContact CE1-CG2 3.81Å; Y47-K127 VanDerWaalsContact CD2-CE 3.49Å; Y47-W128 VanDerWaalsContact CB-CH2 3.48Å; Y47-W128 HydrophobicContact CD1-CZ2 4.45Å; Y47-W128 HydrophobicContact CG-CH2 4.31Å; Y47-W128 HydrophobicContact CG-CZ2 4.38Å
48T43.2Very low51.6Low33 Ų3399.5 Ų99.520%0.20251%0.512CS..  trans-98.7149.5-178.949.40000109.5L33 E50 Q51L33-T48 HydrophobicContact CD2-CG2 3.33Å; T48-E50 WeakPolarHBondContact CB-OE2 3.09Å; T48-E50 PolarHBondContact O-N 3.25Å; T48-E50 VanDerWaalsContact O-N 3.1Å; T48-E50 PolarHBondContact OG1-OE2 3.11Å; T48-Q51 VanDerWaalsContact O-CB 3.28Å; T48-Q51 WeakPolarHBondContact O-CB 3.14Å; T48-Q51 PolarHBondContact O-N 3.41Å
49V46.4Very low53.4Low19 Ų1996.7 Ų96.712%0.11549%0.494CS..G310 helixtrans-59.9-18.1171.4164.50000112.2M1 T32 Q51 L52 M106M1-V49 HydrophobicContact CE-CG1 3.87Å; T32-V49 VanDerWaalsContact CB-CG2 3.43Å; T32-V49 HydrophobicContact CG2-CB 4.44Å; T32-V49 HydrophobicContact CG2-CG2 3.5Å; T32-V49 VanDerWaalsContact CG2-CG2 3.5Å; T32-V49 WeakPolarHBondContact OG1-CB 3.46Å; T32-V49 WeakPolarHBondContact OG1-CG2 3.25Å; V49-Q51 PolarHBondContact O-N 3.31Å; V49-Q51 VanDerWaalsContact O-N 3.16Å; V49-L52 HydrophobicContact CG1-CD1 4.22Å; V49-L52 WeakPolarHBondContact O-CB 3.33Å; V49-L52 PolarHBondContact O-N 3.31Å; V49-M106 HydrophobicContact CG1-CE 4.37Å
50E46.5Very low55.1Low133 Ų13391.2 Ų91.262%0.62147%0.473SS*.G310 helixtrans-59-18.1168.3-54.4158.8159.200113L33 T48 L52L33-E50 HydrophobicContact CD1-CG 3.79Å; L33-E50 WeakPolarHBondContact CD1-OE1 2.98Å; L33-E50 HydrophobicContact CD2-CG 4.14Å; T48-E50 WeakPolarHBondContact CB-OE2 3.09Å; T48-E50 PolarHBondContact O-N 3.25Å; T48-E50 VanDerWaalsContact O-N 3.1Å; T48-E50 PolarHBondContact OG1-OE2 3.11Å; E50-L52 VanDerWaalsContact C-N 3.33Å
51Q55.1Low57.3Low76 Ų7685.9 Ų85.936%0.35544%0.437SS..G310 helixtrans-83.1-10.6173.4-64.5177.7-31.200113.3K46 Y47 T48 V49 I114K46-Q51 PolarHBondContact O-NE2 3.21Å; Y47-Q51 VanDerWaalsContact CD1-OE1 3.23Å; T48-Q51 VanDerWaalsContact O-CB 3.28Å; T48-Q51 WeakPolarHBondContact O-CB 3.14Å; T48-Q51 PolarHBondContact O-N 3.41Å; V49-Q51 PolarHBondContact O-N 3.31Å; V49-Q51 VanDerWaalsContact O-N 3.16Å; Q51-I114 HydrophobicContact CB-CD1 3.66Å; Q51-I114 HydrophobicContact CB-CG1 4.05Å
52L61.8Low59Low18 Ų1885.2 Ų85.29%0.09442%0.417CS..SBendtrans-73137.3167.1-63.7-179.9000108.2V49 E50 D54 M106 A110 L113 I114V49-L52 HydrophobicContact CG1-CD1 4.22Å; V49-L52 WeakPolarHBondContact O-CB 3.33Å; V49-L52 PolarHBondContact O-N 3.31Å; E50-L52 VanDerWaalsContact C-N 3.33Å; L52-D54 PolarHBondContact O-N 3.37Å; L52-M106 HydrophobicContact CD1-CE 3.66Å; L52-A110 HydrophobicContact CD2-CB 4.12Å; L52-L113 HydrophobicContact CD2-CB 4.4Å; L52-L113 HydrophobicContact CD2-CD1 4.13Å; L52-I114 HydrophobicContact CD2-CD1 3.77Å; L52-I114 HydrophobicContact CD2-CG1 4.19Å; L52-I114 HydrophobicContact CG-CD1 4.23Å
53P62.1Low61.5Low61 Ų6191.4 Ų91.440%0.39643%0.431SS..  trans-51.7138176.9-23.531.9000111.2K55 L113P53-K55 PolarHBondContact O-N 3.25Å; P53-K55 VanDerWaalsContact O-N 3.07Å; P53-L113 HydrophobicContact CG-CD1 3.97Å
54D53Low63.6Low128 Ų12884.8 Ų84.868%0.68440%0.396SS*.SBendtrans-53.1-35.7178.7-73-40.1000112.1G2 L52G2-D54 VanDerWaalsContact CA-O 3.22Å; G2-D54 WeakPolarHBondContact CA-O 3.35Å; G2-D54 PolarHBondContact N-O 3.21Å; L52-D54 PolarHBondContact O-N 3.37Å
55K56.3Low65.8Low192 Ų19281 Ų8184%0.83539%0.388SS*.  trans-104.193.3176.5-62.2-177-179-178.50109.9P53P53-K55 PolarHBondContact O-N 3.25Å; P53-K55 VanDerWaalsContact O-N 3.07Å
56M69.6Low68Low17 Ų1785.3 Ų85.38%0.08440%0.402CS..  trans-105.2134.5163.6-163-179.175.300108.9S4 V58 I85 M106 A109S4-M56 PolarHBondContact OG-O 3.03Å; M56-V58 HydrophobicContact CE-CG2 3.93Å; M56-I85 HydrophobicContact CE-CD1 3.11Å; M56-I85 HydrophobicContact CE-CG1 3.77Å; M56-I85 HydrophobicContact SD-CD1 4.03Å; M56-I85 HydrophobicContact SD-CG1 4.41Å; M56-M106 HydrophobicContact CE-CG 4.02Å; M56-A109 HydrophobicContact SD-CB 3.7Å
57E78.4Confident70Confident96 Ų9679.4 Ų79.445%0.44938%0.381SS..EExtended strand (participates in β ladder)trans-82.9124.9-179.7-165.6-174.9142.700109.6T59 I84 I85E57-T59 HydrophobicContact CG-CG2 3.86Å; E57-T59 WeakPolarHBondContact OE1-CG2 3.46Å; E57-I84 HydrophobicContact CB-CB 4.39Å; E57-I84 HydrophobicContact CB-CG1 4.09Å; E57-I84 HydrophobicContact CB-CG2 4.1Å; E57-I84 HydrophobicContact CG-CG1 4.45Å; E57-I84 HydrophobicContact CG-CG2 4Å; E57-I84 WeakPolarHBondContact O-CA 3.41Å; E57-I84 WeakPolarHBondContact OE2-CD1 3.15Å; E57-I85 PolarHBondContact O-N 3.43Å
58V82Confident71.9Confident9 Ų976 Ų766%0.05537%0.373CS..EExtended strand (participates in β ladder)trans-123.3127172.3-1750000107.3V5 L8 M56 I85 L87 L102V5-V58 HydrophobicContact CG2-CB 4.35Å; V5-V58 HydrophobicContact CG2-CG2 3.73Å; L8-V58 HydrophobicContact CD2-CG1 4.05Å; M56-V58 HydrophobicContact CE-CG2 3.93Å; V58-I85 CarbonylContact C-O 3.5Å; V58-I85 VanDerWaalsContact CA-O 3.25Å; V58-I85 WeakPolarHBondContact CA-O 3.47Å; V58-I85 HydrophobicContact CG1-CB 4.45Å; V58-I85 HydrophobicContact CG1-CG2 4.39Å; V58-I85 HydrophobicContact CG2-CB 4.27Å; V58-L87 HydrophobicContact CG1-CD1 4.06Å; V58-L87 HydrophobicContact CG1-CG 4.29Å; V58-L102 HydrophobicContact CG1-CD1 4.18Å; V58-L102 HydrophobicContact CG2-CD1 4.14Å
59T82.2Confident74Confident39 Ų3974.6 Ų74.624%0.23937%0.365CS..EExtended strand (participates in β ladder)trans-132152.4-174.470.70000112E57 I84 I85 D86 L87E57-T59 HydrophobicContact CG-CG2 3.86Å; E57-T59 WeakPolarHBondContact OE1-CG2 3.46Å; T59-I84 HydrophobicContact CG2-CG2 4.14Å; T59-I85 PolarHBondContact N-O 3.49Å; T59-D86 CarbonylContact O-C 3.54Å; T59-D86 WeakPolarHBondContact O-CA 3.39Å; T59-D86 PolarHBondContact OG1-OD1 3.42Å; T59-L87 PolarHBondContact O-N 3.13Å
60W81.9Confident76.1Confident62 Ų6278.9 Ų78.924%0.23538%0.382CS..EExtended strand (participates in β ladder)trans-83.3125.1164.9-68118.8000110.5L8 L12 L87 P89 C92 I98L8-W60 HydrophobicContact CD1-CD2 4.08Å; L8-W60 VanDerWaalsContact CD1-CE2 3.41Å; L8-W60 HydrophobicContact CD1-CG 4.01Å; L8-W60 HydrophobicContact CD1-CZ2 3.95Å; L8-W60 HydrophobicContact CD2-CH2 4.45Å; L8-W60 HydrophobicContact CD2-CZ2 3.8Å; L8-W60 HydrophobicContact CG-CZ2 3.74Å; L12-W60 HydrophobicContact CD1-CH2 4.13Å; L12-W60 HydrophobicContact CD1-CZ2 3.6Å; L12-W60 HydrophobicContact CD2-CH2 4.25Å; L12-W60 HydrophobicContact CD2-CZ2 3.72Å; L12-W60 HydrophobicContact CG-CZ2 3.84Å; W60-L87 WeakPolarHBondContact CA-O 3.49Å; W60-L87 HydrophobicContact CE3-CB 3.67Å; W60-L87 HydrophobicContact CH2-CB 4.33Å; W60-L87 HydrophobicContact CH2-CD1 4.28Å; W60-L87 HydrophobicContact CZ3-CB 3.52Å; W60-L87 HydrophobicContact CZ3-CD1 4.28Å; W60-P89 HydrophobicContact CE3-CB 4.04Å; W60-C92 HydrophobicContact CH2-CB 4.48Å; W60-C92 HydrophobicContact CZ3-CB 4.05Å; W60-I98 HydrophobicContact CH2-CD1 4.1Å; W60-I98 HydrophobicContact CH2-CG1 4.02Å; W60-I98 HydrophobicContact CH2-CG2 4.48Å
61N86.5Confident78.2Confident28 Ų2873 Ų7315%0.1536%0.356CS..  trans-117.998.7175.8-173.8-5.5000111.1R63 L64 D86 L87 P89N61-R63 PolarHBondContact O-N 2.68Å; N61-R63 VanDerWaalsContact O-N 3.13Å; N61-R63 VanDerWaalsContact OD1-CB 3.28Å; N61-R63 WeakPolarHBondContact OD1-CB 3.46Å; N61-R63 PolarHBondContact OD1-N 2.63Å; N61-L64 HydrophobicContact CB-CB 4.19Å; N61-L64 VanDerWaalsContact O-CB 3.27Å; N61-L64 WeakPolarHBondContact O-CB 3.49Å; N61-L64 PolarHBondContact O-N 2.93Å; N61-D86 HydrophobicContact CB-CB 3.9Å; N61-D86 WeakPolarHBondContact CB-OD2 3.08Å; N61-D86 PolarHBondContact ND2-OD2 3.22Å; N61-L87 PolarHBondContact N-O 3.49Å; N61-P89 WeakPolarHBondContact O-CD 3.28Å
62P84Confident79.9Confident74 Ų7472.6 Ų72.648%0.48135%0.353SS..THydrogen-bonded Turntrans-67.2-12.8179.527.9-35.2000113.9L64 P89 K90P62-L64 VanDerWaalsContact C-N 3.33Å; P62-P89 HydrophobicContact CB-CG 4.08Å; P62-K90 PolarHBondContact O-NZ 3.49Å
63R91.9Very high81.5Confident215 Ų21575 Ų7581%0.81136%0.363SS*.THydrogen-bonded Turntrans-81.3-13.5173-59.5-177.9-83.3-174.3-8.5112.3N61 I65N61-R63 PolarHBondContact O-N 2.68Å; N61-R63 VanDerWaalsContact O-N 3.13Å; N61-R63 VanDerWaalsContact OD1-CB 3.28Å; N61-R63 WeakPolarHBondContact OD1-CB 3.46Å; N61-R63 PolarHBondContact OD1-N 2.63Å; R63-I65 VanDerWaalsContact C-N 3.32Å; R63-I65 PolarHBondContact O-N 3.16Å
64L84Confident82.9Confident24 Ų2475.8 Ų75.813%0.12636%0.36CS..  trans-76.683.2175.4-160.972.1000109.9N61 P62 S67 F70 S88N61-L64 HydrophobicContact CB-CB 4.19Å; N61-L64 VanDerWaalsContact O-CB 3.27Å; N61-L64 WeakPolarHBondContact O-CB 3.49Å; N61-L64 PolarHBondContact O-N 2.93Å; P62-L64 VanDerWaalsContact C-N 3.33Å; L64-S67 WeakPolarHBondContact CD1-OG 3.42Å; L64-S67 WeakPolarHBondContact CD2-O 3.39Å; L64-S67 WeakPolarHBondContact CG-O 3.39Å; L64-F70 HydrophobicContact CD1-CB 4.11Å; L64-F70 HydrophobicContact CD2-CB 4.29Å; L64-S88 WeakPolarHBondContact O-CB 3.22Å; L64-S88 PolarHBondContact O-OG 3.09Å
65I87.2Confident84.7Confident108 Ų10877 Ų7755%0.55436%0.355SS*.  trans-98.7-13.4-176.961.1174.3000113.5R63 K90R63-I65 VanDerWaalsContact C-N 3.32Å; R63-I65 PolarHBondContact O-N 3.16Å; I65-K90 HydrophobicContact CG2-CD 4.13Å
66K86.8Confident86.3Confident200 Ų20069.5 Ų69.587%0.8733%0.327SS*.SBendtrans-102.9-19.6-174.7-62.1-174.1179.8177.50113.9
67S86.3Confident87.3Confident41 Ų4175.1 Ų75.129%0.28737%0.368SS..  trans-138.5154.3179.3660000111.1L64 G69 S88 I91L64-S67 WeakPolarHBondContact CD1-OG 3.42Å; L64-S67 WeakPolarHBondContact CD2-O 3.39Å; L64-S67 WeakPolarHBondContact CG-O 3.39Å; S67-G69 WeakPolarHBondContact CB-O 3.44Å; S67-G69 PolarHBondContact OG-O 3.41Å; S67-S88 WeakPolarHBondContact O-CB 3.4Å; S67-I91 VanDerWaalsContact O-CD1 3.23Å; S67-I91 WeakPolarHBondContact O-CD1 3.42Å
68A84.9Confident88Confident22 Ų2278.7 Ų78.718%0.18238%0.382CS..SBendtrans-70.9-34.117800000112.1S88 I91 C92 T101A68-S88 PolarHBondContact O-N 3.2Å; A68-I91 HydrophobicContact CB-CB 4.4Å; A68-I91 HydrophobicContact CB-CG2 3.6Å; A68-C92 PolarHBondContact O-SG 3.34Å; A68-T101 VanDerWaalsContact C-CG2 3.47Å; A68-T101 HydrophobicContact CB-CG2 3.74Å
69G86.8Confident88.2Confident5 Ų586.7 Ų86.75%0.05242%0.416CS..EExtended strand (participates in β ladder)trans-147.5169.5177.900000112.1S67 D86S67-G69 WeakPolarHBondContact CB-O 3.44Å; S67-G69 PolarHBondContact OG-O 3.41Å; G69-D86 CarbonylContact C-O 3.43Å; G69-D86 WeakPolarHBondContact CA-O 3.49Å
70F90.7Very high88.5Confident108 Ų10890.6 Ų90.647%0.47443%0.431SS..EExtended strand (participates in β ladder)trans-158.4124.3174.9-172-99.3000111.7L64 K72 D86L64-F70 HydrophobicContact CD1-CB 4.11Å; L64-F70 HydrophobicContact CD2-CB 4.29Å; F70-K72 HydrophobicContact CD1-CG 3.75Å; F70-K72 HydrophobicContact CE1-CG 3.79Å; F70-D86 PolarHBondContact N-O 2.88Å; F70-D86 PolarHBondContact O-N 3.45Å
71C89.9Confident88.8Confident9 Ų989.5 Ų89.56%0.06143%0.429CS..EExtended strand (participates in β ladder)trans-90113.8172.6-164.60000111.9F73 I85 E105 H108C71-F73 HydrophobicContact CB-CE1 4.07Å; C71-I85 HydrophobicContact CB-CG1 4.46Å; C71-E105 HydrophobicContact CB-CB 4.5Å; C71-E105 PolarHBondContact N-OE2 2.82Å; C71-H108 HydrophobicContact CB-CB 3.77Å
72K92.3Very high88.9Confident69 Ų6992.7 Ų92.730%0.344%0.439SS..EExtended strand (participates in β ladder)trans-85.7112.7174.5-63.4172.9-174.8147.40110.3F70 C83 I84 D86F70-K72 HydrophobicContact CD1-CG 3.75Å; F70-K72 HydrophobicContact CE1-CG 3.79Å; K72-C83 WeakPolarHBondContact O-CA 3.41Å; K72-C83 VanDerWaalsContact O-CB 3.24Å; K72-C83 WeakPolarHBondContact O-CB 3.35Å; K72-I84 HydrophobicContact CB-CB 4.33Å; K72-I84 HydrophobicContact CD-CB 4.41Å; K72-I84 PolarHBondContact N-O 3.25Å; K72-I84 PolarHBondContact O-N 3.18Å; K72-I84 VanDerWaalsContact O-N 3.1Å; K72-D86 WeakPolarHBondContact CE-OD1 3.31Å; K72-D86 WeakPolarHBondContact CE-OD2 3.44Å; K72-D86 IonicContact NZ-OD1 2.74Å; K72-D86 PolarHBondContact NZ-OD1 3.22Å; K72-D86 IonicContact NZ-OD2 2.77Å; K72-D86 PolarHBondContact NZ-OD2 3.49Å
73F93.6Very high89.1Confident67 Ų6789.5 Ų89.529%0.29442%0.418SS..EExtended strand (participates in β ladder)trans-79.5128.3172.6-56.5-25.7000111C71 C83 H108 W112 A118C71-F73 HydrophobicContact CB-CE1 4.07Å; F73-C83 HydrophobicContact CD1-CB 4.47Å; F73-H108 HydrophobicContact CE1-CB 4.1Å; F73-H108 WeakPolarHBondContact CE1-O 3.49Å; F73-H108 HydrophobicContact CZ-CB 4.05Å; F73-W112 HydrophobicContact CB-CD2 3.81Å; F73-W112 HydrophobicContact CB-CE3 4.32Å; F73-W112 HydrophobicContact CB-CG 4.09Å; F73-W112 HydrophobicContact CB-CH2 4.35Å; F73-W112 HydrophobicContact CB-CZ2 3.87Å; F73-W112 HydrophobicContact CD1-CB 3.62Å; F73-W112 AromaticContact CD1-CD1 3.81Å; F73-W112 HydrophobicContact CD1-CD2 4.12Å; F73-W112 AromaticContact CD1-CG 3.56Å; F73-W112 HydrophobicContact CD1-CG 3.56Å; F73-W112 HydrophobicContact CD2-CD2 4.44Å; F73-W112 HydrophobicContact CD2-CE3 4.42Å; F73-W112 HydrophobicContact CE1-CB 3.67Å; F73-W112 HydrophobicContact CE1-CG 4.15Å; F73-W112 HydrophobicContact CG-CB 4.19Å; F73-W112 AromaticContact CG-CD2 3.87Å; F73-W112 HydrophobicContact CG-CD2 3.87Å; F73-W112 HydrophobicContact CG-CE3 4.29Å; F73-W112 AromaticContact CG-CG 3.83Å; F73-W112 HydrophobicContact CG-CG 3.83Å; F73-W112 HydrophobicContact CZ-CB 4.27Å; F73-A118 HydrophobicContact CD2-CB 3.66Å; F73-A118 HydrophobicContact CE2-CB 3.88Å
74K91.7Very high88.9Confident79 Ų7979.7 Ų79.734%0.34338%0.382SS..EExtended strand (participates in β ladder)trans-136.3159.5-179.6-64.5-175.2171.2-172.50112.1Y82 I84 W112K74-Y82 CarbonylContact C-O 3.39Å; K74-Y82 HydrophobicContact CB-CD1 3.88Å; K74-Y82 HydrophobicContact CB-CD2 3.88Å; K74-Y82 HydrophobicContact CB-CE1 3.48Å; K74-Y82 VanDerWaalsContact CB-CE1 3.48Å; K74-Y82 HydrophobicContact CB-CE2 3.49Å; K74-Y82 VanDerWaalsContact CB-CE2 3.49Å; K74-Y82 HydrophobicContact CB-CG 4.07Å; K74-Y82 HydrophobicContact CD-CD2 4.17Å; K74-Y82 HydrophobicContact CD-CE2 3.28Å; K74-Y82 WeakPolarHBondContact CD-OH 3.24Å; K74-Y82 HydrophobicContact CG-CE2 4Å; K74-Y82 PolarHBondContact N-O 3.22Å; K74-Y82 PolarHBondContact O-N 2.7Å; K74-I84 HydrophobicContact CD-CD1 4.1Å; K74-I84 HydrophobicContact CD-CG1 4.5Å; K74-W112 WeakPolarHBondContact O-CZ2 3.12Å; K74-W112 PolarHBondContact O-NE1 2.86Å
75R91.3Very high89Confident153 Ų15378.5 Ų78.558%0.57738%0.376SS*.EExtended strand (participates in β ladder)trans-129.3134.8173.9-69.7-178.7179.3158.8-1.8109.6E80 H81 Y82 W112R75-E80 CarbonylContact C-O 3.18Å; R75-E80 VanDerWaalsContact CA-O 3.31Å; R75-E80 WeakPolarHBondContact CA-O 3.48Å; R75-H81 PolarHBondContact NE-CD2 3.07Å; R75-H81 VanDerWaalsContact NE-CD2 3.31Å; R75-H81 PolarHBondContact NE-NE2 3.16Å; R75-H81 VanDerWaalsContact NE-NE2 3.11Å; R75-H81 PolarHBondContact NH2-NE2 3.38Å; R75-Y82 VanDerWaalsContact C-CE1 3.48Å; R75-W112 HydrophobicContact CG-CH2 4.19Å; R75-W112 HydrophobicContact CG-CZ2 3.86Å; R75-W112 VanDerWaalsContact NE-CH2 3.35Å
76S89.8Confident89.1Confident35 Ų3573.5 Ų73.525%0.24535%0.35CS..  trans-74.5166173.476.40000110.1K78 K79 E80S76-K78 PolarHBondContact O-N 3.5Å; S76-K78 VanDerWaalsContact O-N 3.13Å; S76-K78 PolarHBondContact OG-N 3.23Å; S76-K79 WeakPolarHBondContact O-CA 3.45Å; S76-K79 PolarHBondContact O-N 3.41Å; S76-E80 PolarHBondContact N-O 3.26Å; S76-E80 WeakPolarHBondContact OG-CB 3.46Å; S76-E80 PolarHBondContact OG-N 3.05Å; S76-E80 PolarHBondContact OG-OE2 2.8Å
77S91.9Very high88.8Confident134 Ų13464 Ų6494%0.93731%0.309SS*.THydrogen-bonded Turntrans-58.2-24.2171.1-51.80000112.4K79S77-K79 PolarHBondContact O-N 2.96Å
78K91.4Very high88.7Confident172 Ų17262 Ų6275%0.74830%0.295SS*.THydrogen-bonded Turntrans-839.5173.6-61.1-176.7179.9179.50113.7S76 E80S76-K78 PolarHBondContact O-N 3.5Å; S76-K78 VanDerWaalsContact O-N 3.13Å; S76-K78 PolarHBondContact OG-N 3.23Å; K78-E80 HydrophobicContact CB-CG 4.39Å; K78-E80 PolarHBondContact O-N 3.11Å
79K88Confident88.4Confident177 Ų17763.5 Ų63.577%0.7730%0.303SS*.  trans64.818-177.9-55.6180178.1176.80115.2S76 S77S76-K79 WeakPolarHBondContact O-CA 3.45Å; S76-K79 PolarHBondContact O-N 3.41Å; S77-K79 PolarHBondContact O-N 2.96Å
80E87.7Confident88Confident120 Ų12069.8 Ų69.856%0.56133%0.329SS*.  trans-80.3132.1176.1-61.9165.2143.100110.2R75 S76 K78R75-E80 CarbonylContact C-O 3.18Å; R75-E80 VanDerWaalsContact CA-O 3.31Å; R75-E80 WeakPolarHBondContact CA-O 3.48Å; S76-E80 PolarHBondContact N-O 3.26Å; S76-E80 WeakPolarHBondContact OG-CB 3.46Å; S76-E80 PolarHBondContact OG-N 3.05Å; S76-E80 PolarHBondContact OG-OE2 2.8Å; K78-E80 HydrophobicContact CB-CG 4.39Å; K78-E80 PolarHBondContact O-N 3.11Å
81H88.2Confident87.5Confident40 Ų4067.3 Ų67.319%0.18532%0.32CS..EExtended strand (participates in β ladder)trans-75.4131.7174.2-58.5112.9000110.4R75 W112 L113 K116R75-H81 PolarHBondContact NE-CD2 3.07Å; R75-H81 VanDerWaalsContact NE-CD2 3.31Å; R75-H81 PolarHBondContact NE-NE2 3.16Å; R75-H81 VanDerWaalsContact NE-NE2 3.11Å; R75-H81 PolarHBondContact NH2-NE2 3.38Å; H81-W112 HydrophobicContact CB-CZ2 4.39Å; H81-W112 AromaticContact CD2-CE2 3.65Å; H81-W112 AromaticContact CD2-CH2 3.51Å; H81-W112 AromaticContact CD2-CZ2 3.3Å; H81-W112 WeakPolarHBondContact CD2-CZ2 3.37Å; H81-W112 AromaticContact NE2-CH2 3.98Å; H81-L113 HydrophobicContact CB-CD2 4.05Å; H81-L113 WeakPolarHBondContact O-CD2 3.4Å; H81-K116 WeakPolarHBondContact ND1-CD 3.5Å; H81-K116 PolarHBondContact ND1-NZ 3.41Å
82Y88.3Confident86.7Confident95 Ų9567.1 Ų67.137%0.37332%0.319SS..EExtended strand (participates in β ladder)trans-139.7163.9167.669-80000109.3K74 R75 W112K74-Y82 CarbonylContact C-O 3.39Å; K74-Y82 HydrophobicContact CB-CD1 3.88Å; K74-Y82 HydrophobicContact CB-CD2 3.88Å; K74-Y82 HydrophobicContact CB-CE1 3.48Å; K74-Y82 VanDerWaalsContact CB-CE1 3.48Å; K74-Y82 HydrophobicContact CB-CE2 3.49Å; K74-Y82 VanDerWaalsContact CB-CE2 3.49Å; K74-Y82 HydrophobicContact CB-CG 4.07Å; K74-Y82 HydrophobicContact CD-CD2 4.17Å; K74-Y82 HydrophobicContact CD-CE2 3.28Å; K74-Y82 WeakPolarHBondContact CD-OH 3.24Å; K74-Y82 HydrophobicContact CG-CE2 4Å; K74-Y82 PolarHBondContact N-O 3.22Å; K74-Y82 PolarHBondContact O-N 2.7Å; R75-Y82 VanDerWaalsContact C-CE1 3.48Å; Y82-W112 PolarHBondContact O-NE1 2.86Å
83C87.7Confident85.8Confident6 Ų668.9 Ų68.94%0.04134%0.335CS..EExtended strand (participates in β ladder)trans-141.6160.1174.364.10000112.2K72 F73 A109K72-C83 WeakPolarHBondContact O-CA 3.41Å; K72-C83 VanDerWaalsContact O-CB 3.24Å; K72-C83 WeakPolarHBondContact O-CB 3.35Å; F73-C83 HydrophobicContact CD1-CB 4.47Å; C83-A109 VanDerWaalsContact SG-CB 3.51Å
84I88.2Confident84.5Confident9 Ų969.4 Ų69.45%0.04634%0.344CS..EExtended strand (participates in β ladder)trans-123.8127.2173.6-54.1175.9000107E57 T59 K72 K74E57-I84 HydrophobicContact CB-CB 4.39Å; E57-I84 HydrophobicContact CB-CG1 4.09Å; E57-I84 HydrophobicContact CB-CG2 4.1Å; E57-I84 HydrophobicContact CG-CG1 4.45Å; E57-I84 HydrophobicContact CG-CG2 4Å; E57-I84 WeakPolarHBondContact O-CA 3.41Å; E57-I84 WeakPolarHBondContact OE2-CD1 3.15Å; T59-I84 HydrophobicContact CG2-CG2 4.14Å; K72-I84 HydrophobicContact CB-CB 4.33Å; K72-I84 HydrophobicContact CD-CB 4.41Å; K72-I84 PolarHBondContact N-O 3.25Å; K72-I84 PolarHBondContact O-N 3.18Å; K72-I84 VanDerWaalsContact O-N 3.1Å; K74-I84 HydrophobicContact CD-CD1 4.1Å; K74-I84 HydrophobicContact CD-CG1 4.5Å
85I87.1Confident83Confident0 Ų067 Ų670%034%0.339CS..EExtended strand (participates in β ladder)trans-94.6119.4171.7-63.3-177.2000108.4M56 E57 V58 T59 C71 L87 L102 E105 M106M56-I85 HydrophobicContact CE-CD1 3.11Å; M56-I85 HydrophobicContact CE-CG1 3.77Å; M56-I85 HydrophobicContact SD-CD1 4.03Å; M56-I85 HydrophobicContact SD-CG1 4.41Å; E57-I85 PolarHBondContact O-N 3.43Å; V58-I85 CarbonylContact C-O 3.5Å; V58-I85 VanDerWaalsContact CA-O 3.25Å; V58-I85 WeakPolarHBondContact CA-O 3.47Å; V58-I85 HydrophobicContact CG1-CB 4.45Å; V58-I85 HydrophobicContact CG1-CG2 4.39Å; V58-I85 HydrophobicContact CG2-CB 4.27Å; T59-I85 PolarHBondContact N-O 3.49Å; C71-I85 HydrophobicContact CB-CG1 4.46Å; I85-L87 HydrophobicContact CG2-CD2 4.15Å; I85-L87 HydrophobicContact CG2-CG 4.4Å; I85-L102 HydrophobicContact CD1-CD1 4.15Å; I85-L102 HydrophobicContact CG2-CD1 4.28Å; I85-E105 HydrophobicContact CB-CB 4.4Å; I85-E105 HydrophobicContact CD1-CB 3.64Å; I85-E105 HydrophobicContact CG1-CB 4Å; I85-E105 HydrophobicContact CG2-CB 3.56Å; I85-E105 HydrophobicContact CG2-CG 3.92Å; I85-M106 HydrophobicContact CD1-CG 3.89Å
86D87.6Confident81.4Confident3 Ų360.9 Ų60.92%0.01632%0.324CS..EExtended strand (participates in β ladder)trans-93.6137.1168.6-73.314.4000109.3T59 N61 G69 F70 K72T59-D86 CarbonylContact O-C 3.54Å; T59-D86 WeakPolarHBondContact O-CA 3.39Å; T59-D86 PolarHBondContact OG1-OD1 3.42Å; N61-D86 HydrophobicContact CB-CB 3.9Å; N61-D86 WeakPolarHBondContact CB-OD2 3.08Å; N61-D86 PolarHBondContact ND2-OD2 3.22Å; G69-D86 CarbonylContact C-O 3.43Å; G69-D86 WeakPolarHBondContact CA-O 3.49Å; F70-D86 PolarHBondContact N-O 2.88Å; F70-D86 PolarHBondContact O-N 3.45Å; K72-D86 WeakPolarHBondContact CE-OD1 3.31Å; K72-D86 WeakPolarHBondContact CE-OD2 3.44Å; K72-D86 IonicContact NZ-OD1 2.74Å; K72-D86 PolarHBondContact NZ-OD1 3.22Å; K72-D86 IonicContact NZ-OD2 2.77Å; K72-D86 PolarHBondContact NZ-OD2 3.49Å
87L82Confident80.4Confident0 Ų066 Ų660%034%0.338CS..EExtended strand (participates in β ladder)trans-115.2143.8169.2-61.8179.3000110.2L8 V58 T59 W60 N61 I85 P89 I98 T101L8-L87 HydrophobicContact CD2-CD1 3.99Å; V58-L87 HydrophobicContact CG1-CD1 4.06Å; V58-L87 HydrophobicContact CG1-CG 4.29Å; T59-L87 PolarHBondContact O-N 3.13Å; W60-L87 WeakPolarHBondContact CA-O 3.49Å; W60-L87 HydrophobicContact CE3-CB 3.67Å; W60-L87 HydrophobicContact CH2-CB 4.33Å; W60-L87 HydrophobicContact CH2-CD1 4.28Å; W60-L87 HydrophobicContact CZ3-CB 3.52Å; W60-L87 HydrophobicContact CZ3-CD1 4.28Å; N61-L87 PolarHBondContact N-O 3.49Å; I85-L87 HydrophobicContact CG2-CD2 4.15Å; I85-L87 HydrophobicContact CG2-CG 4.4Å; L87-P89 WeakPolarHBondContact O-CD 3.43Å; L87-I98 HydrophobicContact CD1-CG2 4.22Å; L87-T101 HydrophobicContact CD2-CG2 3.57Å
88S83.5Confident79.3Confident0 Ų060 Ų600%030%0.295CS..  trans-86.3115177.2176.30000110.6L64 S67 A68 K90 I91 C92L64-S88 WeakPolarHBondContact O-CB 3.22Å; L64-S88 PolarHBondContact O-OG 3.09Å; S67-S88 WeakPolarHBondContact O-CB 3.4Å; A68-S88 PolarHBondContact O-N 3.2Å; S88-K90 PolarHBondContact O-N 3.48Å; S88-K90 PolarHBondContact OG-N 3.37Å; S88-I91 PolarHBondContact O-N 3.29Å; S88-I91 PolarHBondContact OG-N 2.8Å; S88-C92 WeakPolarHBondContact O-CB 3.34Å; S88-C92 PolarHBondContact O-N 2.89Å
89P78.2Confident78.3Confident53 Ų5354.1 Ų54.134%0.34427%0.268SS..THydrogen-bonded Turntrans-66-21.2174.728.1-34.4000112.2W60 N61 P62 L87W60-P89 HydrophobicContact CE3-CB 4.04Å; N61-P89 WeakPolarHBondContact O-CD 3.28Å; P62-P89 HydrophobicContact CB-CG 4.08Å; L87-P89 WeakPolarHBondContact O-CD 3.43Å
90K80Confident77.3Confident136 Ų13649.1 Ų49.159%0.59125%0.25SC*.THydrogen-bonded Turntrans-80.1-25.8179.3-66177.8178.71720113.2P62 I65 S88P62-K90 PolarHBondContact O-NZ 3.49Å; I65-K90 HydrophobicContact CG2-CD 4.13Å; S88-K90 PolarHBondContact O-N 3.48Å; S88-K90 PolarHBondContact OG-N 3.37Å
91I79.6Confident76.9Confident57 Ų5744 Ų4429%0.29223%0.227SC..THydrogen-bonded Turntrans-106.9-37.5-177.7-64165.2000111.1S67 A68 S88 T93S67-I91 VanDerWaalsContact O-CD1 3.23Å; S67-I91 WeakPolarHBondContact O-CD1 3.42Å; A68-I91 HydrophobicContact CB-CB 4.4Å; A68-I91 HydrophobicContact CB-CG2 3.6Å; S88-I91 PolarHBondContact O-N 3.29Å; S88-I91 PolarHBondContact OG-N 2.8Å; I91-T93 VanDerWaalsContact C-N 3.3Å; I91-T93 PolarHBondContact O-N 2.89Å; I91-T93 VanDerWaalsContact O-N 3.09Å
92C73.3Confident76.5Confident4 Ų442.7 Ų42.73%0.02722%0.221CC..  trans-86.466.3179.1-66.80000111.4W60 A68 S88 R97 I98W60-C92 HydrophobicContact CH2-CB 4.48Å; W60-C92 HydrophobicContact CZ3-CB 4.05Å; A68-C92 PolarHBondContact O-SG 3.34Å; S88-C92 WeakPolarHBondContact O-CB 3.34Å; S88-C92 PolarHBondContact O-N 2.89Å; C92-R97 HydrophobicContact CB-CG 4.42Å; C92-I98 HydrophobicContact CB-CG1 3.71Å; C92-I98 WeakPolarHBondContact O-CG1 3.27Å
93T72.7Confident75.9Confident106 Ų10641 Ų4165%0.6522%0.218SC*.  trans-92-1.2-174.957.30000114.6I91I91-T93 VanDerWaalsContact C-N 3.3Å; I91-T93 PolarHBondContact O-N 2.89Å; I91-T93 VanDerWaalsContact O-N 3.09Å
94T65.5Low75.6Confident78 Ų7843.8 Ų43.848%0.47923%0.231SC..SBendtrans-135.7150.5-17963.80000111G96 R97 I98T94-G96 VanDerWaalsContact C-N 3.31Å; T94-G96 PolarHBondContact O-N 3.29Å; T94-R97 PolarHBondContact O-N 2.88Å; T94-R97 VanDerWaalsContact OG1-CB 3.28Å; T94-R97 WeakPolarHBondContact OG1-CB 3.41Å; T94-R97 PolarHBondContact OG1-N 3.05Å; T94-I98 WeakPolarHBondContact O-CD1 3.5Å; T94-I98 WeakPolarHBondContact O-CG1 3.36Å; T94-I98 PolarHBondContact O-N 2.93Å
95A60.2Low75.5Confident29 Ų2944.1 Ų44.124%0.2423%0.232CC..Hα-helixtrans-50.8-47.8177.800000113.7Y13 R97 I98 R99Y13-A95 HydrophobicContact CE1-CB 4.18Å; Y13-A95 WeakPolarHBondContact OH-CA 3.29Å; Y13-A95 WeakPolarHBondContact OH-CB 3.48Å; A95-R97 VanDerWaalsContact C-N 3.35Å; A95-R97 PolarHBondContact O-N 3.23Å; A95-I98 PolarHBondContact O-N 3.38Å; A95-R99 WeakPolarHBondContact O-CB 3.12Å; A95-R99 PolarHBondContact O-N 3.23Å
96G58.4Low75.2Confident25 Ų2544.8 Ų44.826%0.25824%0.235SC..Hα-helixtrans-61.6-42.9178.800000112T94 R99 D100T94-G96 VanDerWaalsContact C-N 3.31Å; T94-G96 PolarHBondContact O-N 3.29Å; G96-R99 PolarHBondContact O-N 3.13Å; G96-D100 WeakPolarHBondContact O-CB 3.39Å; G96-D100 PolarHBondContact O-N 2.71Å
97R68.2Low75Confident141 Ų14145.6 Ų45.653%0.53224%0.241SC..Hα-helixtrans-65.2-43.7177.7-177.868.374.5175.44.8111.7C92 T94 A95 D100 T101C92-R97 HydrophobicContact CB-CG 4.42Å; T94-R97 PolarHBondContact O-N 2.88Å; T94-R97 VanDerWaalsContact OG1-CB 3.28Å; T94-R97 WeakPolarHBondContact OG1-CB 3.41Å; T94-R97 PolarHBondContact OG1-N 3.05Å; A95-R97 VanDerWaalsContact C-N 3.35Å; A95-R97 PolarHBondContact O-N 3.23Å; R97-D100 PolarHBondContact O-N 3.4Å; R97-T101 VanDerWaalsContact O-CB 3.25Å; R97-T101 WeakPolarHBondContact O-CB 3.25Å; R97-T101 PolarHBondContact O-N 3.37Å; R97-T101 PolarHBondContact O-OG1 2.69Å
98I70.2Confident75.2Confident8 Ų846.5 Ų46.54%0.04125%0.245CC..Hα-helixtrans-59.5-50.5178-67.5158.5000109.8L12 W60 L87 C92 T94 A95 D100 T101 L102L12-I98 HydrophobicContact CD1-CD1 3.55Å; L12-I98 HydrophobicContact CD1-CG2 4.3Å; L12-I98 HydrophobicContact CD2-CD1 4.04Å; L12-I98 HydrophobicContact CG-CD1 4.42Å; W60-I98 HydrophobicContact CH2-CD1 4.1Å; W60-I98 HydrophobicContact CH2-CG1 4.02Å; W60-I98 HydrophobicContact CH2-CG2 4.48Å; L87-I98 HydrophobicContact CD1-CG2 4.22Å; C92-I98 HydrophobicContact CB-CG1 3.71Å; C92-I98 WeakPolarHBondContact O-CG1 3.27Å; T94-I98 WeakPolarHBondContact O-CD1 3.5Å; T94-I98 WeakPolarHBondContact O-CG1 3.36Å; T94-I98 PolarHBondContact O-N 2.93Å; A95-I98 PolarHBondContact O-N 3.38Å; I98-D100 PolarHBondContact O-N 3.49Å; I98-T101 PolarHBondContact O-N 2.8Å; I98-L102 VanDerWaalsContact O-CB 3.27Å; I98-L102 WeakPolarHBondContact O-CB 3.16Å; I98-L102 PolarHBondContact O-N 2.88Å
99R69.6Low75.3Confident49 Ų4946.5 Ų46.519%0.18525%0.245CC..Hα-helixtrans-57.4-51.5178.2-178.2-15866-158.4-2.6112.1A95 G96 T101 L102 L103A95-R99 WeakPolarHBondContact O-CB 3.12Å; A95-R99 PolarHBondContact O-N 3.23Å; G96-R99 PolarHBondContact O-N 3.13Å; R99-T101 VanDerWaalsContact C-N 3.32Å; R99-T101 PolarHBondContact O-N 2.88Å; R99-L102 PolarHBondContact O-N 3.26Å; R99-L103 HydrophobicContact CG-CD1 4.05Å; R99-L103 WeakPolarHBondContact O-CB 3.38Å; R99-L103 WeakPolarHBondContact O-CG 3.34Å; R99-L103 PolarHBondContact O-N 3.49Å
100D67.4Low75.5Confident72 Ų7244.1 Ų44.139%0.38523%0.23SC..Hα-helixtrans-66.5-37.6-175.7-68.1-10.6000111.6G96 R97 I98 H104G96-D100 WeakPolarHBondContact O-CB 3.39Å; G96-D100 PolarHBondContact O-N 2.71Å; R97-D100 PolarHBondContact O-N 3.4Å; I98-D100 PolarHBondContact O-N 3.49Å; D100-H104 WeakPolarHBondContact O-CB 3.49Å; D100-H104 PolarHBondContact O-N 2.73Å; D100-H104 VanDerWaalsContact O-N 3.07Å
101T79.2Confident75.8Confident12 Ų1237.6 Ų37.67%0.07420%0.202CC..Hα-helixtrans-66.7-47.6175-540000110.4A68 L87 R97 I98 R99 L103 H104 E105A68-T101 VanDerWaalsContact C-CG2 3.47Å; A68-T101 HydrophobicContact CB-CG2 3.74Å; L87-T101 HydrophobicContact CD2-CG2 3.57Å; R97-T101 VanDerWaalsContact O-CB 3.25Å; R97-T101 WeakPolarHBondContact O-CB 3.25Å; R97-T101 PolarHBondContact O-N 3.37Å; R97-T101 PolarHBondContact O-OG1 2.69Å; I98-T101 PolarHBondContact O-N 2.8Å; R99-T101 VanDerWaalsContact C-N 3.32Å; R99-T101 PolarHBondContact O-N 2.88Å; T101-L103 PolarHBondContact O-N 3.11Å; T101-H104 WeakPolarHBondContact O-CB 3.43Å; T101-H104 PolarHBondContact O-N 2.75Å; T101-H104 VanDerWaalsContact O-N 3.16Å; T101-E105 HydrophobicContact CG2-CG 4.42Å; T101-E105 WeakPolarHBondContact O-CG 3.42Å; T101-E105 PolarHBondContact O-N 2.91Å
102L78.8Confident76.4Confident14 Ų1435.5 Ų35.57%0.07319%0.19CC..Hα-helixtrans-59.4-45.3178.2-17961.4000111.6V5 V58 I85 I98 R99 H104 E105 M106V5-L102 HydrophobicContact CG1-CD2 4.09Å; V58-L102 HydrophobicContact CG1-CD1 4.18Å; V58-L102 HydrophobicContact CG2-CD1 4.14Å; I85-L102 HydrophobicContact CD1-CD1 4.15Å; I85-L102 HydrophobicContact CG2-CD1 4.28Å; I98-L102 VanDerWaalsContact O-CB 3.27Å; I98-L102 WeakPolarHBondContact O-CB 3.16Å; I98-L102 PolarHBondContact O-N 2.88Å; R99-L102 PolarHBondContact O-N 3.26Å; L102-H104 VanDerWaalsContact C-N 3.32Å; L102-H104 PolarHBondContact O-N 2.92Å; L102-E105 PolarHBondContact O-N 3.26Å; L102-M106 HydrophobicContact CD1-CG 4.26Å; L102-M106 HydrophobicContact CD1-SD 4.36Å; L102-M106 HydrophobicContact CG-CG 4.4Å; L102-M106 HydrophobicContact CG-SD 4.07Å; L102-M106 WeakPolarHBondContact O-CB 3.43Å; L102-M106 VanDerWaalsContact O-CG 3.25Å; L102-M106 WeakPolarHBondContact O-CG 3.44Å; L102-M106 PolarHBondContact O-N 3.38Å
103L76.9Confident77Confident60 Ų6035.9 Ų35.931%0.31419%0.192SC..Hα-helixtrans-57.8-43.5174.9-81.5165.2000112.4F28 R99 T101 M106 C107F28-L103 HydrophobicContact CD2-CD2 4.33Å; F28-L103 HydrophobicContact CE1-CD2 3.93Å; F28-L103 HydrophobicContact CE2-CD1 3.99Å; F28-L103 HydrophobicContact CE2-CD2 3.31Å; F28-L103 HydrophobicContact CE2-CG 3.42Å; F28-L103 VanDerWaalsContact CE2-CG 3.42Å; F28-L103 HydrophobicContact CZ-CD2 3.08Å; F28-L103 HydrophobicContact CZ-CG 3.49Å; F28-L103 VanDerWaalsContact CZ-CG 3.49Å; R99-L103 HydrophobicContact CG-CD1 4.05Å; R99-L103 WeakPolarHBondContact O-CB 3.38Å; R99-L103 WeakPolarHBondContact O-CG 3.34Å; R99-L103 PolarHBondContact O-N 3.49Å; T101-L103 PolarHBondContact O-N 3.11Å; L103-M106 PolarHBondContact O-N 2.8Å; L103-C107 PolarHBondContact O-N 3.07Å; L103-C107 VanDerWaalsContact O-N 3.09Å; L103-C107 PolarHBondContact O-SG 3.5Å
104H80.7Confident77.6Confident64 Ų6432.2 Ų32.230%0.29617%0.168SC..Hα-helixtrans-60.4-48.5177-175.199.5000111.5D100 T101 L102 M106 C107 H108 H121 W125D100-H104 WeakPolarHBondContact O-CB 3.49Å; D100-H104 PolarHBondContact O-N 2.73Å; D100-H104 VanDerWaalsContact O-N 3.07Å; T101-H104 WeakPolarHBondContact O-CB 3.43Å; T101-H104 PolarHBondContact O-N 2.75Å; T101-H104 VanDerWaalsContact O-N 3.16Å; L102-H104 VanDerWaalsContact C-N 3.32Å; L102-H104 PolarHBondContact O-N 2.92Å; H104-M106 VanDerWaalsContact C-N 3.32Å; H104-M106 PolarHBondContact O-N 2.68Å; H104-C107 WeakPolarHBondContact O-CB 3.12Å; H104-C107 PolarHBondContact O-N 3.12Å; H104-H108 AromaticContact CD2-CD2 3.69Å; H104-H108 AromaticContact CD2-NE2 3.43Å; H104-H108 PolarHBondContact CD2-NE2 2.96Å; H104-H108 AromaticContact NE2-CD2 3.88Å; H104-H108 AromaticContact NE2-NE2 3.12Å; H104-H108 PolarHBondContact NE2-NE2 3.28Å; H104-H108 VanDerWaalsContact NE2-NE2 3.12Å; H104-H108 PolarHBondContact O-N 2.91Å; H104-H121 AromaticContact CE1-CD2 3.63Å; H104-H121 AromaticContact CE1-NE2 3.05Å; H104-H121 PolarHBondContact CE1-NE2 3.47Å; H104-H121 AromaticContact NE2-CD2 3.79Å; H104-H121 AromaticContact NE2-NE2 2.96Å; H104-H121 PolarHBondContact NE2-NE2 2.97Å; H104-W125 AromaticContact CE1-CH2 3.97Å; H104-W125 AromaticContact CE1-CZ2 3.53Å; H104-W125 AromaticContact ND1-CH2 3.94Å; H104-W125 AromaticContact ND1-CZ2 3.51Å
105E86.5Confident78.5Confident16 Ų1629.7 Ų29.78%0.07515%0.151CC..Hα-helixtrans-69.9-29.7179.7-60.5-47.5140.300112.2C71 I85 T101 L102 C107 H108 A109C71-E105 HydrophobicContact CB-CB 4.5Å; C71-E105 PolarHBondContact N-OE2 2.82Å; I85-E105 HydrophobicContact CB-CB 4.4Å; I85-E105 HydrophobicContact CD1-CB 3.64Å; I85-E105 HydrophobicContact CG1-CB 4Å; I85-E105 HydrophobicContact CG2-CB 3.56Å; I85-E105 HydrophobicContact CG2-CG 3.92Å; T101-E105 HydrophobicContact CG2-CG 4.42Å; T101-E105 WeakPolarHBondContact O-CG 3.42Å; T101-E105 PolarHBondContact O-N 2.91Å; L102-E105 PolarHBondContact O-N 3.26Å; E105-C107 VanDerWaalsContact C-N 3.32Å; E105-C107 PolarHBondContact O-N 2.79Å; E105-H108 WeakPolarHBondContact O-CB 3.4Å; E105-H108 PolarHBondContact O-N 3.33Å; E105-H108 IonicContact OE2-CD2 3.45Å; E105-H108 PolarHBondContact OE2-CD2 3.41Å; E105-A109 PolarHBondContact O-N 2.95Å
106M81.5Confident80Confident13 Ų1333.5 Ų33.56%0.06416%0.162CC..Hα-helixtrans-68.1-30172.2-77.3-177.47100112.8M1 F28 V49 L52 M56 I85 L102 L103 H104 H108 A109 A110M1-M106 HydrophobicContact CE-CE 4.38Å; M1-M106 HydrophobicContact CG-CE 4.5Å; M1-M106 HydrophobicContact SD-CE 3.76Å; M1-M106 HydrophobicContact SD-SD 4.23Å; F28-M106 HydrophobicContact CE1-CE 3.66Å; F28-M106 HydrophobicContact CE1-SD 3.39Å; F28-M106 WeakPolarHBondContact CE1-SD 3.32Å; F28-M106 HydrophobicContact CZ-CE 4.43Å; F28-M106 HydrophobicContact CZ-SD 3.59Å; F28-M106 VanDerWaalsContact CZ-SD 3.59Å; V49-M106 HydrophobicContact CG1-CE 4.37Å; L52-M106 HydrophobicContact CD1-CE 3.66Å; M56-M106 HydrophobicContact CE-CG 4.02Å; I85-M106 HydrophobicContact CD1-CG 3.89Å; L102-M106 HydrophobicContact CD1-CG 4.26Å; L102-M106 HydrophobicContact CD1-SD 4.36Å; L102-M106 HydrophobicContact CG-CG 4.4Å; L102-M106 HydrophobicContact CG-SD 4.07Å; L102-M106 WeakPolarHBondContact O-CB 3.43Å; L102-M106 VanDerWaalsContact O-CG 3.25Å; L102-M106 WeakPolarHBondContact O-CG 3.44Å; L102-M106 PolarHBondContact O-N 3.38Å; L103-M106 PolarHBondContact O-N 2.8Å; H104-M106 VanDerWaalsContact C-N 3.32Å; H104-M106 PolarHBondContact O-N 2.68Å; M106-H108 VanDerWaalsContact C-N 3.33Å; M106-A109 WeakPolarHBondContact O-CB 3.4Å; M106-A109 PolarHBondContact O-N 3.15Å; M106-A110 WeakPolarHBondContact O-CB 3.47Å; M106-A110 PolarHBondContact O-N 2.77Å
107C82.5Confident81.5Confident20 Ų2035.3 Ų35.314%0.13517%0.165CC..Hα-helixtrans-65.1-39.5171-65.20000111L103 H104 E105 A110 T111 W125 W128L103-C107 PolarHBondContact O-N 3.07Å; L103-C107 VanDerWaalsContact O-N 3.09Å; L103-C107 PolarHBondContact O-SG 3.5Å; H104-C107 WeakPolarHBondContact O-CB 3.12Å; H104-C107 PolarHBondContact O-N 3.12Å; E105-C107 VanDerWaalsContact C-N 3.32Å; E105-C107 PolarHBondContact O-N 2.79Å; C107-A110 PolarHBondContact O-N 3.48Å; C107-T111 PolarHBondContact O-N 2.97Å; C107-T111 VanDerWaalsContact O-N 3.11Å; C107-W125 HydrophobicContact CB-CD2 4.3Å; C107-W125 HydrophobicContact CB-CG 4.38Å; C107-W125 HydrophobicContact CB-CZ2 3.99Å; C107-W125 VanDerWaalsContact CB-NE1 3.26Å; C107-W128 HydrophobicContact CB-CB 4.02Å
108H85.7Confident82.7Confident19 Ų1931.7 Ų31.79%0.08817%0.166CC..Hα-helixtrans-65.5-39.5171.7-67.1-55.8000111.9C71 F73 H104 E105 M106 A110 T111 W112 H121 W125C71-H108 HydrophobicContact CB-CB 3.77Å; F73-H108 HydrophobicContact CE1-CB 4.1Å; F73-H108 WeakPolarHBondContact CE1-O 3.49Å; F73-H108 HydrophobicContact CZ-CB 4.05Å; H104-H108 AromaticContact CD2-CD2 3.69Å; H104-H108 AromaticContact CD2-NE2 3.43Å; H104-H108 PolarHBondContact CD2-NE2 2.96Å; H104-H108 AromaticContact NE2-CD2 3.88Å; H104-H108 AromaticContact NE2-NE2 3.12Å; H104-H108 PolarHBondContact NE2-NE2 3.28Å; H104-H108 VanDerWaalsContact NE2-NE2 3.12Å; H104-H108 PolarHBondContact O-N 2.91Å; E105-H108 WeakPolarHBondContact O-CB 3.4Å; E105-H108 PolarHBondContact O-N 3.33Å; E105-H108 IonicContact OE2-CD2 3.45Å; E105-H108 PolarHBondContact OE2-CD2 3.41Å; M106-H108 VanDerWaalsContact C-N 3.33Å; H108-A110 VanDerWaalsContact C-N 3.32Å; H108-A110 PolarHBondContact O-N 3.46Å; H108-T111 PolarHBondContact O-N 3.41Å; H108-T111 PolarHBondContact O-OG1 2.89Å; H108-W112 WeakPolarHBondContact O-CB 3.45Å; H108-W112 PolarHBondContact O-N 2.83Å; H108-W112 VanDerWaalsContact O-N 3.13Å; H108-H121 AromaticContact CE1-CD2 3.8Å; H108-H121 AromaticContact CE1-NE2 3.68Å; H108-H121 AromaticContact NE2-NE2 3.62Å; H108-W125 AromaticContact CD2-NE1 3.78Å; H108-W125 AromaticContact CE1-CD1 3.4Å; H108-W125 AromaticContact CE1-NE1 3.22Å; H108-W125 PolarHBondContact CE1-NE1 2.85Å; H108-W125 AromaticContact CG-CD1 3.78Å; H108-W125 AromaticContact CG-NE1 3.6Å; H108-W125 AromaticContact ND1-CD1 3.11Å; H108-W125 AromaticContact ND1-NE1 3.25Å; H108-W125 PolarHBondContact ND1-NE1 3.21Å; H108-W125 AromaticContact NE2-NE1 3.53Å
109A85.6Confident83.3Confident0 Ų032.7 Ų32.70%017%0.17CC..Hα-helixtrans-61.5-42.2174.400000111.3M56 C83 E105 M106 W112 L113M56-A109 HydrophobicContact SD-CB 3.7Å; C83-A109 VanDerWaalsContact SG-CB 3.51Å; E105-A109 PolarHBondContact O-N 2.95Å; M106-A109 WeakPolarHBondContact O-CB 3.4Å; M106-A109 PolarHBondContact O-N 3.15Å; A109-W112 PolarHBondContact O-N 2.98Å; A109-L113 HydrophobicContact CB-CD1 4.42Å; A109-L113 VanDerWaalsContact O-CB 3.26Å; A109-L113 WeakPolarHBondContact O-CB 3.41Å; A109-L113 WeakPolarHBondContact O-CG 3.47Å; A109-L113 PolarHBondContact O-N 3.42Å
110A83.5Confident84.1Confident3 Ų332.4 Ų32.43%0.02518%0.183CC..Hα-helixtrans-65.2-43.3179.400000112.5L52 M106 C107 H108 W112 I114 D115 W128L52-A110 HydrophobicContact CD2-CB 4.12Å; M106-A110 WeakPolarHBondContact O-CB 3.47Å; M106-A110 PolarHBondContact O-N 2.77Å; C107-A110 PolarHBondContact O-N 3.48Å; H108-A110 VanDerWaalsContact C-N 3.32Å; H108-A110 PolarHBondContact O-N 3.46Å; A110-W112 VanDerWaalsContact C-N 3.26Å; A110-W112 PolarHBondContact O-N 3.43Å; A110-I114 HydrophobicContact CB-CD1 4.25Å; A110-I114 WeakPolarHBondContact O-CA 3.34Å; A110-I114 VanDerWaalsContact O-CB 3.24Å; A110-I114 WeakPolarHBondContact O-CB 3.48Å; A110-I114 PolarHBondContact O-N 2.89Å; A110-D115 PolarHBondContact O-N 3.32Å; A110-W128 HydrophobicContact CB-CB 4.49Å; A110-W128 HydrophobicContact CB-CD2 3.42Å; A110-W128 VanDerWaalsContact CB-CD2 3.42Å; A110-W128 VanDerWaalsContact CB-CE2 3.5Å; A110-W128 HydrophobicContact CB-CE3 3.81Å; A110-W128 HydrophobicContact CB-CG 3.71Å; A110-W128 HydrophobicContact CB-CH2 4.2Å; A110-W128 HydrophobicContact CB-CZ2 3.93Å; A110-W128 HydrophobicContact CB-CZ3 4.18Å
111T85.8Confident85Confident0 Ų034 Ų340%019%0.187CC..Hα-helixtrans-59.2-40.9173.753.70000111.6C107 H108 D115 K116 I117 E119 H124 W125C107-T111 PolarHBondContact O-N 2.97Å; C107-T111 VanDerWaalsContact O-N 3.11Å; H108-T111 PolarHBondContact O-N 3.41Å; H108-T111 PolarHBondContact O-OG1 2.89Å; T111-D115 CarbonylContact O-C 3.49Å; T111-D115 WeakPolarHBondContact O-CA 3.48Å; T111-D115 WeakPolarHBondContact O-CB 3.25Å; T111-D115 PolarHBondContact O-N 3.1Å; T111-K116 PolarHBondContact O-N 3.19Å; T111-I117 CarbonylContact C-O 3.55Å; T111-I117 PolarHBondContact O-N 3.42Å; T111-I117 VanDerWaalsContact O-O 3.05Å; T111-E119 HydrophobicContact CG2-CG 3.93Å; T111-H124 HydrophobicContact CG2-CB 3.89Å; T111-W125 VanDerWaalsContact CG2-CA 3.48Å; T111-W125 HydrophobicContact CG2-CB 3.94Å; T111-W125 VanDerWaalsContact CG2-N 3.31Å
112W91.4Very high85.3Confident13 Ų1334.2 Ų34.25%0.04919%0.192CC..Hα-helixtrans-73.4-47-178.5178-121.5000113.7F73 K74 R75 H81 Y82 H108 A109 A110 K116 I117 A118F73-W112 HydrophobicContact CB-CD2 3.81Å; F73-W112 HydrophobicContact CB-CE3 4.32Å; F73-W112 HydrophobicContact CB-CG 4.09Å; F73-W112 HydrophobicContact CB-CH2 4.35Å; F73-W112 HydrophobicContact CB-CZ2 3.87Å; F73-W112 HydrophobicContact CD1-CB 3.62Å; F73-W112 AromaticContact CD1-CD1 3.81Å; F73-W112 HydrophobicContact CD1-CD2 4.12Å; F73-W112 AromaticContact CD1-CG 3.56Å; F73-W112 HydrophobicContact CD1-CG 3.56Å; F73-W112 HydrophobicContact CD2-CD2 4.44Å; F73-W112 HydrophobicContact CD2-CE3 4.42Å; F73-W112 HydrophobicContact CE1-CB 3.67Å; F73-W112 HydrophobicContact CE1-CG 4.15Å; F73-W112 HydrophobicContact CG-CB 4.19Å; F73-W112 AromaticContact CG-CD2 3.87Å; F73-W112 HydrophobicContact CG-CD2 3.87Å; F73-W112 HydrophobicContact CG-CE3 4.29Å; F73-W112 AromaticContact CG-CG 3.83Å; F73-W112 HydrophobicContact CG-CG 3.83Å; F73-W112 HydrophobicContact CZ-CB 4.27Å; K74-W112 WeakPolarHBondContact O-CZ2 3.12Å; K74-W112 PolarHBondContact O-NE1 2.86Å; R75-W112 HydrophobicContact CG-CH2 4.19Å; R75-W112 HydrophobicContact CG-CZ2 3.86Å; R75-W112 VanDerWaalsContact NE-CH2 3.35Å; H81-W112 HydrophobicContact CB-CZ2 4.39Å; H81-W112 AromaticContact CD2-CE2 3.65Å; H81-W112 AromaticContact CD2-CH2 3.51Å; H81-W112 AromaticContact CD2-CZ2 3.3Å; H81-W112 WeakPolarHBondContact CD2-CZ2 3.37Å; H81-W112 AromaticContact NE2-CH2 3.98Å; Y82-W112 PolarHBondContact O-NE1 2.86Å; H108-W112 WeakPolarHBondContact O-CB 3.45Å; H108-W112 PolarHBondContact O-N 2.83Å; H108-W112 VanDerWaalsContact O-N 3.13Å; A109-W112 PolarHBondContact O-N 2.98Å; A110-W112 VanDerWaalsContact C-N 3.26Å; A110-W112 PolarHBondContact O-N 3.43Å; W112-K116 WeakPolarHBondContact O-CA 3.28Å; W112-I117 WeakPolarHBondContact CA-O 3.08Å; W112-I117 PolarHBondContact N-O 3.43Å; W112-A118 HydrophobicContact CE3-CB 3.91Å; W112-A118 HydrophobicContact CZ3-CB 3.8Å
113L86.9Confident85.6Confident12 Ų1237.7 Ų37.76%0.06322%0.215CC..Hα-helixtrans-84.1-35-171.5-61.9178.6000112.2L52 P53 H81 A109 K116L52-L113 HydrophobicContact CD2-CB 4.4Å; L52-L113 HydrophobicContact CD2-CD1 4.13Å; P53-L113 HydrophobicContact CG-CD1 3.97Å; H81-L113 HydrophobicContact CB-CD2 4.05Å; H81-L113 WeakPolarHBondContact O-CD2 3.4Å; A109-L113 HydrophobicContact CB-CD1 4.42Å; A109-L113 VanDerWaalsContact O-CB 3.26Å; A109-L113 WeakPolarHBondContact O-CB 3.41Å; A109-L113 WeakPolarHBondContact O-CG 3.47Å; A109-L113 PolarHBondContact O-N 3.42Å; L113-K116 WeakPolarHBondContact O-CE 3.5Å; L113-K116 PolarHBondContact O-NZ 3.48Å
114I85.5Confident85.9Confident28 Ų2838.1 Ų38.114%0.14422%0.216CC..THydrogen-bonded Turntrans-101.5-56.3-173.6-57.6171.7000110.1Y47 Q51 L52 A110 K116 W128Y47-I114 HydrophobicContact CD1-CG2 3.5Å; Y47-I114 HydrophobicContact CE1-CG2 3.81Å; Q51-I114 HydrophobicContact CB-CD1 3.66Å; Q51-I114 HydrophobicContact CB-CG1 4.05Å; L52-I114 HydrophobicContact CD2-CD1 3.77Å; L52-I114 HydrophobicContact CD2-CG1 4.19Å; L52-I114 HydrophobicContact CG-CD1 4.23Å; A110-I114 HydrophobicContact CB-CD1 4.25Å; A110-I114 WeakPolarHBondContact O-CA 3.34Å; A110-I114 VanDerWaalsContact O-CB 3.24Å; A110-I114 WeakPolarHBondContact O-CB 3.48Å; A110-I114 PolarHBondContact O-N 2.89Å; I114-K116 PolarHBondContact O-N 3.42Å; I114-W128 HydrophobicContact CB-CH2 4.44Å; I114-W128 HydrophobicContact CB-CZ2 3.94Å; I114-W128 HydrophobicContact CD1-CH2 3.33Å; I114-W128 HydrophobicContact CD1-CZ2 3.66Å; I114-W128 HydrophobicContact CD1-CZ3 4.23Å; I114-W128 HydrophobicContact CG1-CH2 4.46Å; I114-W128 HydrophobicContact CG1-CZ2 4.39Å; I114-W128 HydrophobicContact CG2-CH2 4.25Å; I114-W128 HydrophobicContact CG2-CZ2 3.85Å
115D85.1Confident86.1Confident25 Ų2536.5 Ų36.513%0.13421%0.207CC..SBendtrans-77.5-8.5-179.7-57-52.7000112.5A110 T111 I117 H124 K127 W128A110-D115 PolarHBondContact O-N 3.32Å; T111-D115 CarbonylContact O-C 3.49Å; T111-D115 WeakPolarHBondContact O-CA 3.48Å; T111-D115 WeakPolarHBondContact O-CB 3.25Å; T111-D115 PolarHBondContact O-N 3.1Å; D115-I117 HydrophobicContact CB-CD1 4.39Å; D115-I117 WeakPolarHBondContact O-CG1 3.48Å; D115-I117 PolarHBondContact O-N 2.92Å; D115-H124 HydrophobicContact CB-CB 4.46Å; D115-H124 IonicContact OD2-ND1 3.88Å; D115-K127 IonicContact OD1-NZ 2.92Å; D115-K127 PolarHBondContact OD1-NZ 2.96Å; D115-W128 PolarHBondContact OD2-NE1 3.46Å
116K91.2Very high85.6Confident110 Ų11042.1 Ų42.148%0.47823%0.227SC..  trans61.124.6179.1-50.1-66.5175.9-171.30113.2H81 T111 W112 L113 I114H81-K116 WeakPolarHBondContact ND1-CD 3.5Å; H81-K116 PolarHBondContact ND1-NZ 3.41Å; T111-K116 PolarHBondContact O-N 3.19Å; W112-K116 WeakPolarHBondContact O-CA 3.28Å; L113-K116 WeakPolarHBondContact O-CE 3.5Å; L113-K116 PolarHBondContact O-NZ 3.48Å; I114-K116 PolarHBondContact O-N 3.42Å
117I90.4Very high85.5Confident62 Ų6243.8 Ų43.832%0.31823%0.234SC..  trans-119.6127.1-175.3-68.5163.6000109.4T111 W112 D115 E119 H124T111-I117 CarbonylContact C-O 3.55Å; T111-I117 PolarHBondContact O-N 3.42Å; T111-I117 VanDerWaalsContact O-O 3.05Å; W112-I117 WeakPolarHBondContact CA-O 3.08Å; W112-I117 PolarHBondContact N-O 3.43Å; D115-I117 HydrophobicContact CB-CD1 4.39Å; D115-I117 WeakPolarHBondContact O-CG1 3.48Å; D115-I117 PolarHBondContact O-N 2.92Å; I117-E119 HydrophobicContact CG2-CB 4Å; I117-E119 HydrophobicContact CG2-CG 4.14Å; I117-E119 PolarHBondContact O-N 3.03Å; I117-H124 WeakPolarHBondContact CD1-CE1 2.92Å; I117-H124 WeakPolarHBondContact CD1-NE2 3.02Å
118A91.4Very high85.1Confident65 Ų6543.3 Ų43.354%0.53723%0.23SC..  trans-86.4103.1168.400000108.3F73 W112F73-A118 HydrophobicContact CD2-CB 3.66Å; F73-A118 HydrophobicContact CE2-CB 3.88Å; W112-A118 HydrophobicContact CE3-CB 3.91Å; W112-A118 HydrophobicContact CZ3-CB 3.8Å
119E83.2Confident84.2Confident30 Ų3044.5 Ų44.514%0.1424%0.24CC..  trans-134159.1176.564.8175.475.900111.8T111 I117 G122 H124 W125T111-E119 HydrophobicContact CG2-CG 3.93Å; I117-E119 HydrophobicContact CG2-CB 4Å; I117-E119 HydrophobicContact CG2-CG 4.14Å; I117-E119 PolarHBondContact O-N 3.03Å; E119-G122 WeakPolarHBondContact OE2-CA 3.15Å; E119-G122 PolarHBondContact OE2-N 2.88Å; E119-H124 WeakPolarHBondContact OE1-CB 3.41Å; E119-H124 IonicContact OE1-CD2 2.99Å; E119-H124 PolarHBondContact OE1-CD2 3.48Å; E119-H124 IonicContact OE1-CG 3.27Å; E119-H124 VanDerWaalsContact OE1-CG 3.27Å; E119-H124 PolarHBondContact OE2-N 3.36Å; E119-W125 HydrophobicContact CG-CB 4.4Å; E119-W125 PolarHBondContact OE2-N 2.76Å
120G87.2Confident82.6Confident43 Ų4347.6 Ų47.644%0.44326%0.262SS..SBendtrans-80.5-133.2164.300000110.6G122 W125G120-G122 PolarHBondContact O-N 3.22Å; G120-W125 WeakPolarHBondContact O-CB 3.25Å
121H86.1Confident81Confident105 Ų10551.5 Ų51.549%0.48628%0.282SS..SBendtrans-81.242.6180-47105.9000113.9H104 H108 W125 R126H104-H121 AromaticContact CE1-CD2 3.63Å; H104-H121 AromaticContact CE1-NE2 3.05Å; H104-H121 PolarHBondContact CE1-NE2 3.47Å; H104-H121 AromaticContact NE2-CD2 3.79Å; H104-H121 AromaticContact NE2-NE2 2.96Å; H104-H121 PolarHBondContact NE2-NE2 2.97Å; H108-H121 AromaticContact CE1-CD2 3.8Å; H108-H121 AromaticContact CE1-NE2 3.68Å; H108-H121 AromaticContact NE2-NE2 3.62Å; H121-W125 HydrophobicContact CB-CD2 4.34Å; H121-W125 HydrophobicContact CB-CE3 4.01Å; H121-W125 HydrophobicContact CB-CZ3 4.43Å; H121-W125 AromaticContact CD2-CD2 3.77Å; H121-W125 AromaticContact CD2-CE2 3.64Å; H121-W125 AromaticContact CD2-CE3 3.92Å; H121-W125 AromaticContact CD2-CH2 3.92Å; H121-W125 AromaticContact CD2-CZ2 3.75Å; H121-W125 AromaticContact CD2-CZ3 3.98Å; H121-R126 PolarHBondContact O-NH1 2.87Å
122G84.7Confident78.8Confident16 Ų1657 Ų5717%0.16531%0.305CS..SBendtrans-75.6-170-177.500000114.1E119 G120 H124 W125 R126E119-G122 WeakPolarHBondContact OE2-CA 3.15Å; E119-G122 PolarHBondContact OE2-N 2.88Å; G120-G122 PolarHBondContact O-N 3.22Å; G122-H124 PolarHBondContact O-N 3.28Å; G122-W125 PolarHBondContact O-N 3.06Å; G122-R126 WeakPolarHBondContact O-CB 3.39Å; G122-R126 WeakPolarHBondContact O-CG 3.31Å; G122-R126 PolarHBondContact O-N 2.72Å; G122-R126 PolarHBondContact O-NH1 2.83Å
123P86.6Confident76.1Confident87 Ų8760.1 Ų60.157%0.56533%0.326SS*.Hα-helixtrans-58.2-40.4179.4-23.233000114.4R126 K127P123-R126 PolarHBondContact O-N 2.93Å; P123-K127 PolarHBondContact O-N 3.2Å
124H82.8Confident73.5Confident70 Ų7070 Ų7032%0.32436%0.363SS..Hα-helixtrans-74.1-37.2-179.9-55.4-106.8000110.5T111 D115 I117 E119 G122 R126 K127 W128T111-H124 HydrophobicContact CG2-CB 3.89Å; D115-H124 HydrophobicContact CB-CB 4.46Å; D115-H124 IonicContact OD2-ND1 3.88Å; I117-H124 WeakPolarHBondContact CD1-CE1 2.92Å; I117-H124 WeakPolarHBondContact CD1-NE2 3.02Å; E119-H124 WeakPolarHBondContact OE1-CB 3.41Å; E119-H124 IonicContact OE1-CD2 2.99Å; E119-H124 PolarHBondContact OE1-CD2 3.48Å; E119-H124 IonicContact OE1-CG 3.27Å; E119-H124 VanDerWaalsContact OE1-CG 3.27Å; E119-H124 PolarHBondContact OE2-N 3.36Å; G122-H124 PolarHBondContact O-N 3.28Å; H124-R126 VanDerWaalsContact C-N 3.28Å; H124-R126 PolarHBondContact O-N 2.94Å; H124-K127 VanDerWaalsContact O-CB 3.28Å; H124-K127 WeakPolarHBondContact O-CB 3.44Å; H124-K127 PolarHBondContact O-N 3.28Å; H124-K127 VanDerWaalsContact O-N 3.13Å; H124-W128 PolarHBondContact O-N 3.35Å
125W84.4Confident71.2Confident30 Ų3072.2 Ų72.211%0.11437%0.372CS..Hα-helixtrans-63.2-38.2173-171.395.8000111.5H104 C107 H108 T111 E119 G120 H121 G122 K127 W128 S129H104-W125 AromaticContact CE1-CH2 3.97Å; H104-W125 AromaticContact CE1-CZ2 3.53Å; H104-W125 AromaticContact ND1-CH2 3.94Å; H104-W125 AromaticContact ND1-CZ2 3.51Å; C107-W125 HydrophobicContact CB-CD2 4.3Å; C107-W125 HydrophobicContact CB-CG 4.38Å; C107-W125 HydrophobicContact CB-CZ2 3.99Å; C107-W125 VanDerWaalsContact CB-NE1 3.26Å; H108-W125 AromaticContact CD2-NE1 3.78Å; H108-W125 AromaticContact CE1-CD1 3.4Å; H108-W125 AromaticContact CE1-NE1 3.22Å; H108-W125 PolarHBondContact CE1-NE1 2.85Å; H108-W125 AromaticContact CG-CD1 3.78Å; H108-W125 AromaticContact CG-NE1 3.6Å; H108-W125 AromaticContact ND1-CD1 3.11Å; H108-W125 AromaticContact ND1-NE1 3.25Å; H108-W125 PolarHBondContact ND1-NE1 3.21Å; H108-W125 AromaticContact NE2-NE1 3.53Å; T111-W125 VanDerWaalsContact CG2-CA 3.48Å; T111-W125 HydrophobicContact CG2-CB 3.94Å; T111-W125 VanDerWaalsContact CG2-N 3.31Å; E119-W125 HydrophobicContact CG-CB 4.4Å; E119-W125 PolarHBondContact OE2-N 2.76Å; G120-W125 WeakPolarHBondContact O-CB 3.25Å; H121-W125 HydrophobicContact CB-CD2 4.34Å; H121-W125 HydrophobicContact CB-CE3 4.01Å; H121-W125 HydrophobicContact CB-CZ3 4.43Å; H121-W125 AromaticContact CD2-CD2 3.77Å; H121-W125 AromaticContact CD2-CE2 3.64Å; H121-W125 AromaticContact CD2-CE3 3.92Å; H121-W125 AromaticContact CD2-CH2 3.92Å; H121-W125 AromaticContact CD2-CZ2 3.75Å; H121-W125 AromaticContact CD2-CZ3 3.98Å; G122-W125 PolarHBondContact O-N 3.06Å; W125-K127 VanDerWaalsContact C-N 3.34Å; W125-K127 PolarHBondContact O-N 3.47Å; W125-W128 PolarHBondContact O-N 2.93Å; W125-S129 VanDerWaalsContact CE3-OG 3.28Å; W125-S129 WeakPolarHBondContact CZ3-OG 3.25Å; W125-S129 PolarHBondContact O-N 3.06Å; W125-S129 PolarHBondContact O-OG 3.36Å; W125-S129 VanDerWaalsContact O-OG 3.14Å
126R76.6Confident68.8Low133 Ų13375.8 Ų75.850%0.50240%0.399SS..Hα-helixtrans-63.4-37.8173.1-77-171.1-59-89.18.1112.6H121 G122 P123 H124 W128 S129 S130H121-R126 PolarHBondContact O-NH1 2.87Å; G122-R126 WeakPolarHBondContact O-CB 3.39Å; G122-R126 WeakPolarHBondContact O-CG 3.31Å; G122-R126 PolarHBondContact O-N 2.72Å; G122-R126 PolarHBondContact O-NH1 2.83Å; P123-R126 PolarHBondContact O-N 2.93Å; H124-R126 VanDerWaalsContact C-N 3.28Å; H124-R126 PolarHBondContact O-N 2.94Å; R126-W128 VanDerWaalsContact C-N 3.28Å; R126-W128 PolarHBondContact O-N 3.04Å; R126-S129 WeakPolarHBondContact CA-OG 3.49Å; R126-S129 PolarHBondContact O-N 2.87Å; R126-S129 PolarHBondContact O-OG 2.84Å; R126-S130 WeakPolarHBondContact O-CB 3.43Å; R126-S130 PolarHBondContact O-N 2.67Å; R126-S130 PolarHBondContact O-OG 2.86Å
127K78.7Confident66.2Low48 Ų4877.5 Ų77.521%0.20940%0.404CS..Hα-helixtrans-54.3-46.4171.8167-166.7170-165.10110.3Y47 D115 P123 H124 W125 S130Y47-K127 VanDerWaalsContact CD2-CE 3.49Å; D115-K127 IonicContact OD1-NZ 2.92Å; D115-K127 PolarHBondContact OD1-NZ 2.96Å; P123-K127 PolarHBondContact O-N 3.2Å; H124-K127 VanDerWaalsContact O-CB 3.28Å; H124-K127 WeakPolarHBondContact O-CB 3.44Å; H124-K127 PolarHBondContact O-N 3.28Å; H124-K127 VanDerWaalsContact O-N 3.13Å; W125-K127 VanDerWaalsContact C-N 3.34Å; W125-K127 PolarHBondContact O-N 3.47Å; K127-S130 PolarHBondContact O-OG 2.61Å
128W74Confident63.3Low11 Ų1184.3 Ų84.34%0.04243%0.431CS..Hα-helixtrans-74.5-41.6178.4-64.2108000114.8Y47 C107 A110 I114 D115 H124 W125 R126 S130 L131Y47-W128 VanDerWaalsContact CB-CH2 3.48Å; Y47-W128 HydrophobicContact CD1-CZ2 4.45Å; Y47-W128 HydrophobicContact CG-CH2 4.31Å; Y47-W128 HydrophobicContact CG-CZ2 4.38Å; C107-W128 HydrophobicContact CB-CB 4.02Å; A110-W128 HydrophobicContact CB-CB 4.49Å; A110-W128 HydrophobicContact CB-CD2 3.42Å; A110-W128 VanDerWaalsContact CB-CD2 3.42Å; A110-W128 VanDerWaalsContact CB-CE2 3.5Å; A110-W128 HydrophobicContact CB-CE3 3.81Å; A110-W128 HydrophobicContact CB-CG 3.71Å; A110-W128 HydrophobicContact CB-CH2 4.2Å; A110-W128 HydrophobicContact CB-CZ2 3.93Å; A110-W128 HydrophobicContact CB-CZ3 4.18Å; I114-W128 HydrophobicContact CB-CH2 4.44Å; I114-W128 HydrophobicContact CB-CZ2 3.94Å; I114-W128 HydrophobicContact CD1-CH2 3.33Å; I114-W128 HydrophobicContact CD1-CZ2 3.66Å; I114-W128 HydrophobicContact CD1-CZ3 4.23Å; I114-W128 HydrophobicContact CG1-CH2 4.46Å; I114-W128 HydrophobicContact CG1-CZ2 4.39Å; I114-W128 HydrophobicContact CG2-CH2 4.25Å; I114-W128 HydrophobicContact CG2-CZ2 3.85Å; D115-W128 PolarHBondContact OD2-NE1 3.46Å; H124-W128 PolarHBondContact O-N 3.35Å; W125-W128 PolarHBondContact O-N 2.93Å; R126-W128 VanDerWaalsContact C-N 3.28Å; R126-W128 PolarHBondContact O-N 3.04Å; W128-S130 PolarHBondContact O-N 2.81Å; W128-L131 HydrophobicContact CE3-CD1 3.62Å; W128-L131 HydrophobicContact CZ3-CD1 4.1Å; W128-L131 VanDerWaalsContact O-CB 3.26Å; W128-L131 WeakPolarHBondContact O-CB 3.38Å; W128-L131 WeakPolarHBondContact O-CG 3.19Å; W128-L131 PolarHBondContact O-N 3.04Å; W128-L131 VanDerWaalsContact O-N 3.16Å
129S66.5Low60.8Low43 Ų4384.4 Ų84.430%0.30143%0.432SS..Hα-helixtrans-72.1-20177.863.50000113.3W125 R126 L131W125-S129 VanDerWaalsContact CE3-OG 3.28Å; W125-S129 WeakPolarHBondContact CZ3-OG 3.25Å; W125-S129 PolarHBondContact O-N 3.06Å; W125-S129 PolarHBondContact O-OG 3.36Å; W125-S129 VanDerWaalsContact O-OG 3.14Å; R126-S129 WeakPolarHBondContact CA-OG 3.49Å; R126-S129 PolarHBondContact O-N 2.87Å; R126-S129 PolarHBondContact O-OG 2.84Å; S129-L131 VanDerWaalsContact C-N 3.25Å
130S51.9Low58.4Low66 Ų6689.9 Ų89.946%0.46247%0.468SS..THydrogen-bonded Turntrans-80.2-1.817377.20000114R126 K127 W128 K132R126-S130 WeakPolarHBondContact O-CB 3.43Å; R126-S130 PolarHBondContact O-N 2.67Å; R126-S130 PolarHBondContact O-OG 2.86Å; K127-S130 PolarHBondContact O-OG 2.61Å; W128-S130 PolarHBondContact O-N 2.81Å; S130-K132 WeakPolarHBondContact O-CG 3.46Å; S130-K132 PolarHBondContact O-N 2.77Å
131L50.3Low56Low84 Ų8490.3 Ų90.344%0.4446%0.462SS..SBendtrans-65.467.2158.8-61.2174.2000108W128 S129 T133W128-L131 HydrophobicContact CE3-CD1 3.62Å; W128-L131 HydrophobicContact CZ3-CD1 4.1Å; W128-L131 VanDerWaalsContact O-CB 3.26Å; W128-L131 WeakPolarHBondContact O-CB 3.38Å; W128-L131 WeakPolarHBondContact O-CG 3.19Å; W128-L131 PolarHBondContact O-N 3.04Å; W128-L131 VanDerWaalsContact O-N 3.16Å; S129-L131 VanDerWaalsContact C-N 3.25Å; L131-T133 PolarHBondContact O-N 2.84Å
132K41.1Very low53.9Low115 Ų11594.8 Ų94.850%0.548%0.48SS..  trans-80.4100.4-172.1-77.3175.2-177.8178.50107.7S130 R134S130-K132 WeakPolarHBondContact O-CG 3.46Å; S130-K132 PolarHBondContact O-N 2.77Å; K132-R134 PolarHBondContact O-N 2.77Å
133T34Very low52.1Low79 Ų7999.5 Ų99.549%0.48550%0.496SS..  38.215.5108.858.60000120.1L131 T186L131-T133 PolarHBondContact O-N 2.84Å; T133-T186 VanDerWaalsContact O-CG2 3.24Å; T133-T186 WeakPolarHBondContact O-CG2 3.38Å
134R32.4Very low50.2Low220 Ų22098.8 Ų98.883%0.8350%0.498SS*.  trans-101.388.1171-171.2174.7-119.1-113.11109.4K132K132-R134 PolarHBondContact O-N 2.77Å
135H37.4Very low48.3Very low74 Ų74102.2 Ų102.234%0.34351%0.509SS..  trans-75.4124.7157.7-60.2126000109.4V31 Y137V31-H135 WeakPolarHBondContact CG1-NE2 3.43Å; V31-H135 WeakPolarHBondContact CG2-NE2 3.4Å; H135-Y137 HydrophobicContact CB-CD2 3.41Å; H135-Y137 VanDerWaalsContact CB-CD2 3.41Å; H135-Y137 HydrophobicContact CB-CE1 4.44Å; H135-Y137 HydrophobicContact CB-CE2 3.17Å; H135-Y137 HydrophobicContact CB-CG 4.18Å; H135-Y137 AromaticContact CD2-CE2 3.84Å; H135-Y137 AromaticContact CD2-CZ 3.63Å; H135-Y137 PolarHBondContact CD2-OH 3.42Å; H135-Y137 AromaticContact CG-CE2 3.23Å; H135-Y137 AromaticContact CG-CZ 3.54Å; H135-Y137 AromaticContact ND1-CE2 3.52Å; H135-Y137 PolarHBondContact NE2-OH 2.84Å
136S33.3Very low46.4Very low100 Ų100107.1 Ų107.170%0.69953%0.533SS*.  trans-93.878.1158.754.10000108.9
137Y37.5Very low44.5Very low146 Ų146102.7 Ų102.757%0.57352%0.522SS*.  trans-82.2133165.2-59.3-60.6000109H135 A139H135-Y137 HydrophobicContact CB-CD2 3.41Å; H135-Y137 VanDerWaalsContact CB-CD2 3.41Å; H135-Y137 HydrophobicContact CB-CE1 4.44Å; H135-Y137 HydrophobicContact CB-CE2 3.17Å; H135-Y137 HydrophobicContact CB-CG 4.18Å; H135-Y137 AromaticContact CD2-CE2 3.84Å; H135-Y137 AromaticContact CD2-CZ 3.63Å; H135-Y137 PolarHBondContact CD2-OH 3.42Å; H135-Y137 AromaticContact CG-CE2 3.23Å; H135-Y137 AromaticContact CG-CZ 3.54Å; H135-Y137 AromaticContact ND1-CE2 3.52Å; H135-Y137 PolarHBondContact NE2-OH 2.84Å; Y137-A139 PolarHBondContact O-N 2.9Å; Y137-A139 VanDerWaalsContact O-N 3.11Å
138K29.5Very low43.2Very low205 Ų205107.4 Ų107.489%0.89156%0.555SS**  trans-60114.6166.1-77.3-178.2177.7177.80107.9T140K138-T140 PolarHBondContact O-N 3.18Å
139A38.4Very low41.8Very low68 Ų68116.4 Ų116.456%0.56259%0.594SS**  trans-73.9106.5172.600000109.1Y137 T141Y137-A139 PolarHBondContact O-N 2.9Å; Y137-A139 VanDerWaalsContact O-N 3.11Å; A139-T141 PolarHBondContact O-N 2.65Å
140T33.5Very low41.7Very low145 Ų145118.3 Ų118.389%0.8961%0.607SS**  trans-79.1100.1165.120.80000108.8K138K138-T140 PolarHBondContact O-N 3.18Å
141T35.5Very low41.2Very low52 Ų52119.3 Ų119.332%0.31961%0.614SS.*  trans-93.3126.6173.258.50000110.5A139 F143A139-T141 PolarHBondContact O-N 2.65Å; T141-F143 PolarHBondContact O-N 3.27Å
142K44Very low40.4Very low198 Ų198123 Ų12386%0.86162%0.623SS**SBendtrans-68.8-8.2176.6-75.6-172.2175-174.10114.8
143F45.5Very low40.1Very low116 Ų116121.1 Ų121.151%0.50962%0.624SS.*  trans-137.9122.4-176.7-56.8-77.4000110.8T141 Y145T141-F143 PolarHBondContact O-N 3.27Å; F143-Y145 HydrophobicContact CB-CE2 4.16Å
144A47.5Very low40.3Very low72 Ų72119.6 Ų119.660%0.59561%0.614SS**EExtended strand (participates in β ladder)trans-112.2136.1165.600000107.5
145Y42Very low40.6Very low142 Ų142115.4 Ų115.456%0.55760%0.604SS**EExtended strand (participates in β ladder)trans-112.1134171.8-67.7-89.7000108.5F143 S153 V154F143-Y145 HydrophobicContact CB-CE2 4.16Å; Y145-S153 CarbonylContact O-C 3.57Å; Y145-S153 VanDerWaalsContact O-CA 3.27Å; Y145-S153 WeakPolarHBondContact O-CA 3.37Å; Y145-V154 PolarHBondContact N-O 3.17Å; Y145-V154 VanDerWaalsContact N-O 3.11Å; Y145-V154 PolarHBondContact O-N 3.25Å
146E45.5Very low40.5Very low132 Ų132118.1 Ų118.162%0.61762%0.616SS**EExtended strand (participates in β ladder)trans-110.6135.1178.8-170.4-178.4153.700110.5T148E146-T148 PolarHBondContact O-N 2.97Å
147C36.7Very low40.6Very low41 Ų41116.7 Ų116.728%0.27761%0.605SS.*  trans-65.1111.4171.7174.10000110K149 C150 S151 Y152C147-K149 PolarHBondContact O-N 2.83Å; C147-C150 HydrophobicContact CB-CB 4.34Å; C147-C150 WeakPolarHBondContact CB-SG 3.43Å; C147-C150 PolarHBondContact O-N 3.28Å; C147-C150 WeakPolarHBondContact SG-CB 3.44Å; C147-C150 PolarHBondContact SG-N 2.92Å; C147-C150 CovalentContact SG-SG 2.07Å; C147-C150 PolarHBondContact SG-SG 3.15Å; C147-S151 WeakPolarHBondContact O-CA 3.17Å; C147-S151 PolarHBondContact O-N 3.37Å; C147-Y152 WeakPolarHBondContact CB-O 3.23Å; C147-Y152 PolarHBondContact N-O 3.01Å
148T49.8Very low40.5Very low146 Ų146117.9 Ų117.990%0.89661%0.614SS**THydrogen-bonded Turntrans-66-9.6179.353.60000114.8E146E146-T148 PolarHBondContact O-N 2.97Å
149K45.8Very low40.9Very low201 Ų201112.8 Ų112.887%0.87461%0.61SS**THydrogen-bonded Turntrans-106.5-17.1178.5-69.1-174177.7-176.10114.3C147C147-K149 PolarHBondContact O-N 2.83Å
150C63.3Low40.8Very low83 Ų83118.3 Ų118.356%0.56162%0.621SS**THydrogen-bonded Turntrans-145.43-165.467.40000114.3C147 Y152C147-C150 HydrophobicContact CB-CB 4.34Å; C147-C150 WeakPolarHBondContact CB-SG 3.43Å; C147-C150 PolarHBondContact O-N 3.28Å; C147-C150 WeakPolarHBondContact SG-CB 3.44Å; C147-C150 PolarHBondContact SG-N 2.92Å; C147-C150 CovalentContact SG-SG 2.07Å; C147-C150 PolarHBondContact SG-SG 3.15Å; C150-Y152 PolarHBondContact O-N 3.39Å
151S43.1Very low40.9Very low87 Ų87120.3 Ų120.361%0.60862%0.617SS**  trans53.513.8-177.8-62.20000115.4C147 S153C147-S151 WeakPolarHBondContact O-CA 3.17Å; C147-S151 PolarHBondContact O-N 3.37Å; S151-S153 PolarHBondContact O-N 3.45Å
152Y32.1Very low40.5Very low161 Ų161123.2 Ų123.263%0.63164%0.635SS**  trans-72.4116.3174.2-172.6-103.8000110.4C147 C150 V154C147-Y152 WeakPolarHBondContact CB-O 3.23Å; C147-Y152 PolarHBondContact N-O 3.01Å; C150-Y152 PolarHBondContact O-N 3.39Å; Y152-V154 HydrophobicContact CD1-CG2 3.7Å; Y152-V154 HydrophobicContact CE1-CG2 3.55Å
153S34.4Very low39.8Very low76 Ų76125.2 Ų125.253%0.53164%0.639SS.*EExtended strand (participates in β ladder)trans-96.7133.417962.30000112Y145 S151Y145-S153 CarbonylContact O-C 3.57Å; Y145-S153 VanDerWaalsContact O-CA 3.27Å; Y145-S153 WeakPolarHBondContact O-CA 3.37Å; S151-S153 PolarHBondContact O-N 3.45Å
154V38.7Very low38.9Very low46 Ų46126.7 Ų126.728%0.27965%0.652SS.*EExtended strand (participates in β ladder)trans-120.5129.4175.1-153.30000110.5Y145 Y152 F156Y145-V154 PolarHBondContact N-O 3.17Å; Y145-V154 VanDerWaalsContact N-O 3.11Å; Y145-V154 PolarHBondContact O-N 3.25Å; Y152-V154 HydrophobicContact CD1-CG2 3.7Å; Y152-V154 HydrophobicContact CE1-CG2 3.55Å; V154-F156 HydrophobicContact CB-CD2 3.82Å; V154-F156 HydrophobicContact CB-CE2 3.43Å; V154-F156 VanDerWaalsContact CB-CE2 3.43Å; V154-F156 HydrophobicContact CB-CZ 4.28Å; V154-F156 HydrophobicContact CG1-CD2 3.67Å; V154-F156 HydrophobicContact CG1-CE1 4.33Å; V154-F156 HydrophobicContact CG1-CE2 3.11Å; V154-F156 HydrophobicContact CG1-CG 4.5Å; V154-F156 HydrophobicContact CG1-CZ 3.49Å; V154-F156 VanDerWaalsContact CG1-CZ 3.49Å; V154-F156 HydrophobicContact CG2-CE2 4.19Å
155Q39.2Very low37.9Very low133 Ų133133 Ų13362%0.62166%0.662SS**EExtended strand (participates in β ladder)trans-92.6115.4174.7-66.8-176.9-18.100109.1
156F35Very low36.9Very low131 Ų131132.7 Ų132.758%0.57568%0.675SS**  trans-122.9131.5178.9-76.2-76000111.8V154V154-F156 HydrophobicContact CB-CD2 3.82Å; V154-F156 HydrophobicContact CB-CE2 3.43Å; V154-F156 VanDerWaalsContact CB-CE2 3.43Å; V154-F156 HydrophobicContact CB-CZ 4.28Å; V154-F156 HydrophobicContact CG1-CD2 3.67Å; V154-F156 HydrophobicContact CG1-CE1 4.33Å; V154-F156 HydrophobicContact CG1-CE2 3.11Å; V154-F156 HydrophobicContact CG1-CG 4.5Å; V154-F156 HydrophobicContact CG1-CZ 3.49Å; V154-F156 VanDerWaalsContact CG1-CZ 3.49Å; V154-F156 HydrophobicContact CG2-CE2 4.19Å
157S35.7Very low35.9Very low69 Ų69131.9 Ų131.948%0.48368%0.684SS.*  trans-87.2118.4162.256.10000109.8A159 K192S157-A159 PolarHBondContact O-N 2.91Å; S157-K192 VanDerWaalsContact CB-NZ 3.27Å; S157-K192 PolarHBondContact OG-NZ 2.74Å
158K36.3Very low35.4Very low172 Ų172138 Ų13875%0.74871%0.712SS**  trans-48.6118.1-179.5-143.9170.1-168.8164.20112
159A37.4Very low34.1Very low98 Ų98143.2 Ų143.281%0.8172%0.715SS**  trans-109.4123.9156.700000107.6S157S157-A159 PolarHBondContact O-N 2.91Å
160K35.6Very low33Very low183 Ų183137.3 Ų137.380%0.79670%0.704SS**  trans-85.5120.8175-83.8-175.2175.8-179.30109.6
161K36Very low31.1Very low187 Ų187142.6 Ų142.681%0.81372%0.718SS**  trans59.1101143-65.1-173.2174.1-173.40120.1
162T27.7Very low30.2Very low113 Ų113146.5 Ų146.569%0.69373%0.731SS**  46.8117.2128.148.80000120.4
163Y28Very low29.9Very low240 Ų240147.8 Ų147.894%0.94174%0.74SS**  -158.6152125.1-82.8-68.5000110.9
164D27Very low29.4Very low148 Ų148149 Ų14979%0.79175%0.748SS**  trans-84161-159.7-17014.1000115.4
165Y25.8Very low28.8Very low204 Ų204156.3 Ų156.380%0.878%0.776SS**  trans-94.8120.9-170.2-63-99.6000111.5
166T22.7Very low28.2Very low136 Ų136156.9 Ų156.983%0.83478%0.784SS**  trans170.3145.1143.733.30000108.5
167S24.4Very low27.8Very low115 Ų115155 Ų15580%0.80479%0.787SS**  trans90.442.7164.280.80000121.8
168I26.5Very low27.5Very low169 Ų169163.6 Ų163.687%0.86781%0.808SS**  trans-131.190.6152.2-55.4-179.9000111.5
169R21.5Very low27.3Very low255 Ų255160.8 Ų160.896%0.96280%0.801SS**  trans-87.599.7171.2-165.3178.6-175146.4-1.1107.3
170A23.5Very low27Very low78 Ų78167.1 Ų167.165%0.64580%0.803SS**  trans-145.792.8169.800000111.5
171K23.4Very low26.8Very low194 Ų194166.2 Ų166.284%0.84380%0.802SS**  trans43.576.5148.4-68.1176.4177.11770116.7
172L23Very low26.6Very low169 Ų169162.4 Ų162.489%0.88579%0.79SS**  trans-70.7120.2141.9-89.589.3000108
173F26.6Very low26.9Very low187 Ų187162.4 Ų162.482%0.8279%0.789SS**  trans-107.1116.3159.8-110.5-91000108.6
174C23.4Very low27Very low103 Ų103155.4 Ų155.470%0.69677%0.774SS**  trans53.5124.8148.3-97.10000119.1
175F27Very low27.1Very low198 Ų198155.6 Ų155.687%0.86877%0.768SS**  -156.7139.250.4-135.8-97.6000112.2
176N25.7Very low27.5Very low146 Ų146148 Ų14878%0.78174%0.743SS**  trans-36.4149.2163.3-111.1-34.7000113.8
177S27.1Very low28Very low91 Ų91145.3 Ų145.364%0.63672%0.723SS**SBendcis-161.7149.515.3-630000108.5
178R28.9Very low28.5Very low249 Ų249143.9 Ų143.994%0.9471%0.705SS**SBendtrans80.36.6162.6-74.8-173-173.1179.23.3123.6
179I32.9Very low29Very low114 Ų114140 Ų14059%0.58568%0.684SS**  trans-12571169.6-49.4-177000111
180R29.9Very low29.7Very low231 Ų231130.3 Ų130.387%0.87265%0.648SS**  trans-95.56.6-178.5-89.8-173.5173.9-172.2-1.1115.6
181H32.6Very low30.3Very low164 Ų164130.6 Ų130.676%0.75964%0.642SS**SBendtrans-132.36.9-171.7-91.1-97.6000117.9
182L31Very low30.9Very low107 Ų107125.1 Ų125.156%0.5662%0.618SS**SBendtrans-116-15.9-176.5-10284.5000116.7
183V33.2Very low31.5Very low112 Ų112122 Ų12268%0.67960%0.598SS**SBendtrans-89.8-15.4-178.7-174.70000112
184C31.2Very low32Very low94 Ų94117.5 Ų117.564%0.63558%0.576SS**SBendtrans-85.6-17179.5-142.70000113.4
185F29Very low32.6Very low152 Ų152115.1 Ų115.167%0.66756%0.563SS**SBendtrans-82.5-23.3-174.2-134.8-94.8000113.7
186T33.4Very low33.1Very low43 Ų43108.6 Ų108.626%0.26454%0.538SS..SBendtrans-84.1-14177.8200000114.2T133 I188T133-T186 VanDerWaalsContact O-CG2 3.24Å; T133-T186 WeakPolarHBondContact O-CG2 3.38Å; T186-I188 VanDerWaalsContact C-N 3.34Å
187I34.2Very low33.6Very low81 Ų81103.9 Ų103.942%0.41551%0.514SS..Hα-helixtrans-72.6-28.5178.3-64.2175000111.5T191I187-T191 PolarHBondContact O-OG1 2.8Å
188I35.3Very low34.1Very low85 Ų85105.4 Ų105.444%0.43652%0.515SS..Hα-helixtrans-79.7-27.8-179.3-63.5171000112.2T186 T191 K192T186-I188 VanDerWaalsContact C-N 3.34Å; I188-T191 PolarHBondContact O-OG1 3.43Å; I188-K192 HydrophobicContact CG2-CD 4.29Å; I188-K192 WeakPolarHBondContact O-CB 3.12Å; I188-K192 WeakPolarHBondContact O-CD 3.2Å; I188-K192 VanDerWaalsContact O-CG 3.29Å; I188-K192 WeakPolarHBondContact O-CG 3.27Å; I188-K192 PolarHBondContact O-N 3.21Å
189H36.8Very low34.6Very low88 Ų8896.2 Ų96.241%0.40749%0.488SS..Hα-helixtrans-84.9-34.8-177.2-83.1-92.6000113.2K192 F193H189-K192 PolarHBondContact O-N 2.92Å; H189-F193 WeakPolarHBondContact O-CB 3.39Å; H189-F193 PolarHBondContact O-N 3.09Å
190F36.2Very low34.4Very low51 Ų5193.4 Ų93.422%0.22449%0.487CS..Hα-helixtrans-73.8-35.5176.9-165.6-98000112.5L24 K192 F193 Y194L24-F190 HydrophobicContact CD1-CE2 3.94Å; L24-F190 HydrophobicContact CD1-CZ 4.07Å; F190-K192 VanDerWaalsContact C-N 3.34Å; F190-F193 PolarHBondContact O-N 3.27Å; F190-Y194 WeakPolarHBondContact O-CB 3.37Å; F190-Y194 PolarHBondContact O-N 3.25Å
191T35.4Very low34.9Very low84 Ų8489.6 Ų89.652%0.51548%0.477SS..Hα-helixtrans-65.3-36.9171.7430000111.9I187 I188 A195I187-T191 PolarHBondContact O-OG1 2.8Å; I188-T191 PolarHBondContact O-OG1 3.43Å; T191-A195 WeakPolarHBondContact O-CB 3.42Å; T191-A195 PolarHBondContact O-N 2.61Å
192K35.8Very low34.9Very low78 Ų7885.1 Ų85.134%0.33946%0.458SS..Hα-helixtrans-69.9-40.9172.8-78175.6178.1173.30113.3S157 I188 H189 F190 N196S157-K192 VanDerWaalsContact CB-NZ 3.27Å; S157-K192 PolarHBondContact OG-NZ 2.74Å; I188-K192 HydrophobicContact CG2-CD 4.29Å; I188-K192 WeakPolarHBondContact O-CB 3.12Å; I188-K192 WeakPolarHBondContact O-CD 3.2Å; I188-K192 VanDerWaalsContact O-CG 3.29Å; I188-K192 WeakPolarHBondContact O-CG 3.27Å; I188-K192 PolarHBondContact O-N 3.21Å; H189-K192 PolarHBondContact O-N 2.92Å; F190-K192 VanDerWaalsContact C-N 3.34Å; K192-N196 WeakPolarHBondContact O-CB 3.32Å; K192-N196 PolarHBondContact O-N 2.83Å; K192-N196 PolarHBondContact O-ND2 3.48Å
193F35.3Very low35.1Very low105 Ų10590.3 Ų90.346%0.46149%0.487SS..Hα-helixtrans-63.7-48.8174.9-179-98.8000110.9H189 F190 A195 N196 V197 I202H189-F193 WeakPolarHBondContact O-CB 3.39Å; H189-F193 PolarHBondContact O-N 3.09Å; F190-F193 PolarHBondContact O-N 3.27Å; F193-A195 PolarHBondContact O-N 3.36Å; F193-N196 WeakPolarHBondContact O-CB 3.48Å; F193-N196 PolarHBondContact O-N 2.98Å; F193-V197 HydrophobicContact CD1-CG2 4.18Å; F193-V197 HydrophobicContact CE1-CG2 3.8Å; F193-V197 HydrophobicContact CE2-CG2 4.4Å; F193-V197 HydrophobicContact CZ-CG2 3.92Å; F193-V197 WeakPolarHBondContact O-CG2 3.28Å; F193-V197 PolarHBondContact O-N 3.14Å; F193-I202 HydrophobicContact CD2-CD1 3.77Å; F193-I202 HydrophobicContact CE2-CD1 3.89Å
194Y37.2Very low35.2Very low92 Ų9289.3 Ų89.336%0.36148%0.477SS..Hα-helixtrans-61.4-40.4176.6-166.8-106.1000112.3F190 N196 V197 L198F190-Y194 WeakPolarHBondContact O-CB 3.37Å; F190-Y194 PolarHBondContact O-N 3.25Å; Y194-N196 VanDerWaalsContact C-N 3.31Å; Y194-N196 PolarHBondContact O-N 2.83Å; Y194-V197 PolarHBondContact O-N 3.47Å; Y194-L198 HydrophobicContact CD1-CD1 3.73Å; Y194-L198 HydrophobicContact CD1-CG 4.4Å; Y194-L198 HydrophobicContact CE1-CD1 3.39Å; Y194-L198 HydrophobicContact CE1-CG 4.22Å; Y194-L198 WeakPolarHBondContact O-CB 3.49Å; Y194-L198 WeakPolarHBondContact O-CG 3.22Å; Y194-L198 PolarHBondContact O-N 2.92Å
195A36.3Very low35.5Very low52 Ų5289 Ų8943%0.4347%0.469SS..Hα-helixtrans-65.4-31.5172.800000113.1T191 F193 S199T191-A195 WeakPolarHBondContact O-CB 3.42Å; T191-A195 PolarHBondContact O-N 2.61Å; F193-A195 PolarHBondContact O-N 3.36Å; A195-S199 VanDerWaalsContact O-CB 3.31Å; A195-S199 WeakPolarHBondContact O-CB 3.48Å; A195-S199 PolarHBondContact O-N 3.13Å; A195-S199 PolarHBondContact O-OG 3.47Å
196N38.1Very low35.8Very low61 Ų6185.5 Ų85.533%0.32646%0.458SS..Hα-helixtrans-77.6-36176.8-75.4-28000112.5K192 F193 Y194 S199 G200 K201 I202K192-N196 WeakPolarHBondContact O-CB 3.32Å; K192-N196 PolarHBondContact O-N 2.83Å; K192-N196 PolarHBondContact O-ND2 3.48Å; F193-N196 WeakPolarHBondContact O-CB 3.48Å; F193-N196 PolarHBondContact O-N 2.98Å; Y194-N196 VanDerWaalsContact C-N 3.31Å; Y194-N196 PolarHBondContact O-N 2.83Å; N196-S199 PolarHBondContact O-N 3.22Å; N196-S199 PolarHBondContact O-OG 2.81Å; N196-G200 PolarHBondContact O-N 3.13Å; N196-K201 HydrophobicContact CB-CB 4.32Å; N196-K201 PolarHBondContact O-N 3.01Å; N196-I202 HydrophobicContact CB-CD1 3.39Å; N196-I202 HydrophobicContact CB-CG1 3.79Å
197V36.2Very low36Very low47 Ų4788 Ų8829%0.28547%0.469SS..Hα-helixtrans-65.5-48173.1172.80000110.4F193 Y194 S199 G200F193-V197 HydrophobicContact CD1-CG2 4.18Å; F193-V197 HydrophobicContact CE1-CG2 3.8Å; F193-V197 HydrophobicContact CE2-CG2 4.4Å; F193-V197 HydrophobicContact CZ-CG2 3.92Å; F193-V197 WeakPolarHBondContact O-CG2 3.28Å; F193-V197 PolarHBondContact O-N 3.14Å; Y194-V197 PolarHBondContact O-N 3.47Å; V197-S199 PolarHBondContact O-N 3.47Å; V197-G200 PolarHBondContact O-N 2.95Å
198L38Very low36.1Very low124 Ų12488.4 Ų88.465%0.64947%0.472SS*.Hα-helixtrans-66.7-21.2177.1-70.2179.2000114.1Y194Y194-L198 HydrophobicContact CD1-CD1 3.73Å; Y194-L198 HydrophobicContact CD1-CG 4.4Å; Y194-L198 HydrophobicContact CE1-CD1 3.39Å; Y194-L198 HydrophobicContact CE1-CG 4.22Å; Y194-L198 WeakPolarHBondContact O-CB 3.49Å; Y194-L198 WeakPolarHBondContact O-CG 3.22Å; Y194-L198 PolarHBondContact O-N 2.92Å
199S37.8Very low36.1Very low55 Ų5588.7 Ų88.739%0.38548%0.475SS..THydrogen-bonded Turntrans-98.49.8177.559.10000114.4A195 N196 V197 K201A195-S199 VanDerWaalsContact O-CB 3.31Å; A195-S199 WeakPolarHBondContact O-CB 3.48Å; A195-S199 PolarHBondContact O-N 3.13Å; A195-S199 PolarHBondContact O-OG 3.47Å; N196-S199 PolarHBondContact O-N 3.22Å; N196-S199 PolarHBondContact O-OG 2.81Å; V197-S199 PolarHBondContact O-N 3.47Å; S199-K201 PolarHBondContact O-N 3.43Å; S199-K201 WeakPolarHBondContact OG-CD 3.27Å
200G30.1Very low36.1Very low55 Ų5588.7 Ų88.757%0.56748%0.48SS*.THydrogen-bonded Turntrans62.124.3-179.800000113.6N196 V197N196-G200 PolarHBondContact O-N 3.13Å; V197-G200 PolarHBondContact O-N 2.95Å
201K38.9Very low36.1Very low152 Ų15291.6 Ų91.666%0.66150%0.499SS*.  trans-94.3-5.1-177.7-69.4179.3-171.6156.60113.4N196 S199N196-K201 HydrophobicContact CB-CB 4.32Å; N196-K201 PolarHBondContact O-N 3.01Å; S199-K201 PolarHBondContact O-N 3.43Å; S199-K201 WeakPolarHBondContact OG-CD 3.27Å
202I33.8Very low36.1Very low69 Ų6992.3 Ų92.335%0.35450%0.498SS..  trans-127.5116.4170.2-64.8168.5000104.5F193 N196F193-I202 HydrophobicContact CD2-CD1 3.77Å; F193-I202 HydrophobicContact CE2-CD1 3.89Å; N196-I202 HydrophobicContact CB-CD1 3.39Å; N196-I202 HydrophobicContact CB-CG1 3.79Å
203N35.9Very low36.1Very low217 Ų21793.5 Ų93.5100%1.1651%0.513SS*.  trans-77.10169.6-72-16000109.6

Retrieved 203 of 203 residues in 239.6 ms (Link to these results)

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