A0A060WFI8_ONCMY Loading...

Clavesin-1

Required for normal morphology of late endosomes and/or lysosomes in neurons. Binds phosphatidylinositol 3,5-bisphosphate (PtdIns(3,5)P2).

AlphaFold DB , UniProt , Accession A0A060WFI8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110535278, Length 329 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
1M53Low81.3Confident195 Ų19575.5 Ų75.596%0.96145%0.451SS*.  0128.20-74.5-172.3-119.900107.9
2T67.6Low82.5Confident39 Ų3969.8 Ų69.824%0.23942%0.416CS..  trans-74.1158.7171.457.20000109.2L4 Q5T2-L4 PolarHBondContact O-N 2.71Å; T2-Q5 PolarHBondContact O-N 2.67Å; T2-Q5 VanDerWaalsContact O-N 3.07Å
3H79.1Confident83.6Confident123 Ų12367.2 Ų67.257%0.56940%0.401SS*.G310 helixtrans-58.9-26.617673.7-80.3000112.4Q5 A6H3-Q5 PolarHBondContact O-N 2.86Å; H3-A6 WeakPolarHBondContact O-CB 3.33Å; H3-A6 PolarHBondContact O-N 3.11Å
4L76.3Confident84.5Confident4 Ų467.6 Ų67.62%0.02140%0.397CS..G310 helixtrans-68.1-11.7176.8-60.7175.2000114.7T2 L27 I31 D51 L55 R59T2-L4 PolarHBondContact O-N 2.71Å; L4-L27 HydrophobicContact CB-CD1 4.14Å; L4-L27 HydrophobicContact CD1-CB 4.23Å; L4-L27 HydrophobicContact CD1-CD1 4.45Å; L4-I31 HydrophobicContact CD1-CD1 3.84Å; L4-D51 HydrophobicContact CD2-CB 3.55Å; L4-L55 HydrophobicContact CB-CD2 4.19Å; L4-R59 PolarHBondContact O-NH2 3.35Å
5Q80.1Confident85.3Confident7 Ų765.5 Ų65.53%0.03338%0.381CS..G310 helixtrans-111.36.2173.4-62.7-174.4-50.600112T2 H3 G7 L8 E22 L27T2-Q5 PolarHBondContact O-N 2.67Å; T2-Q5 VanDerWaalsContact O-N 3.07Å; H3-Q5 PolarHBondContact O-N 2.86Å; Q5-G7 PolarHBondContact O-N 3.1Å; Q5-L8 HydrophobicContact CB-CD1 4.34Å; Q5-L8 PolarHBondContact O-N 3.17Å; Q5-E22 PolarHBondContact NE2-OE1 3.37Å; Q5-E22 VanDerWaalsContact NE2-OE1 3.11Å; Q5-L27 HydrophobicContact CG-CD1 3.97Å
6A80.1Confident86.1Confident65 Ų6561.4 Ų61.454%0.53736%0.357SS..THydrogen-bonded Turntrans-60.113317400000109.7H3H3-A6 WeakPolarHBondContact O-CB 3.33Å; H3-A6 PolarHBondContact O-N 3.11Å
7G82.1Confident86.7Confident65 Ų6565.5 Ų65.567%0.6737%0.365SS*.THydrogen-bonded Turntrans91.4-1-179.200000115.6Q5Q5-G7 PolarHBondContact O-N 3.1Å
8L92.9Very high87.3Confident18 Ų1868.8 Ų68.89%0.09438%0.377CS..  trans-88.2137.5170.2-62.9-178.3000111.9Q5 T12 P151 E152 I155Q5-L8 HydrophobicContact CB-CD1 4.34Å; Q5-L8 PolarHBondContact O-N 3.17Å; L8-T12 HydrophobicContact CD2-CG2 4.02Å; L8-P151 HydrophobicContact CD2-CB 3.53Å; L8-P151 HydrophobicContact CG-CB 4.2Å; L8-E152 HydrophobicContact CD2-CG 4.33Å; L8-I155 HydrophobicContact CD1-CD1 3.62Å; L8-I155 HydrophobicContact CD2-CD1 3.51Å; L8-I155 HydrophobicContact CG-CD1 4.23Å
9S93.8Very high87.8Confident50 Ų5069.4 Ų69.435%0.3538%0.377SS..  trans-68.9161.8165.874.50000111.3E11 T12 T13 E152S9-E11 VanDerWaalsContact C-N 3.29Å; S9-E11 PolarHBondContact O-N 3.41Å; S9-T12 PolarHBondContact O-N 3.34Å; S9-T12 WeakPolarHBondContact OG-CB 3.43Å; S9-T12 PolarHBondContact OG-N 3.07Å; S9-T12 VanDerWaalsContact OG-N 3.08Å; S9-T12 PolarHBondContact OG-OG1 3.34Å; S9-T13 WeakPolarHBondContact O-CB 3.48Å; S9-T13 PolarHBondContact O-N 3.26Å; S9-T13 PolarHBondContact O-OG1 3.09Å; S9-E152 WeakPolarHBondContact CB-OE1 3.5Å; S9-E152 PolarHBondContact N-OE1 2.62Å; S9-E152 PolarHBondContact OG-OE1 2.94Å
10S94.2Very high88.3Confident106 Ų10666 Ų6674%0.74136%0.358SS*.Hα-helixtrans-62.2-37.8175.5-56.10000112.2E14S10-E14 PolarHBondContact O-N 3.46Å; S10-E14 VanDerWaalsContact O-N 3.09Å
11E95.3Very high88.7Confident159 Ų15967.9 Ų67.974%0.74337%0.369SS*.Hα-helixtrans-63.1-48.2176.5-175.9178.8174.800111S9 T13 E14 K15S9-E11 VanDerWaalsContact C-N 3.29Å; S9-E11 PolarHBondContact O-N 3.41Å; E11-T13 VanDerWaalsContact C-N 3.34Å; E11-T13 PolarHBondContact O-N 2.9Å; E11-E14 PolarHBondContact O-N 3.08Å; E11-K15 WeakPolarHBondContact O-CB 3.49Å; E11-K15 PolarHBondContact O-N 3.43Å
12T96Very high90.8Very high6 Ų658.8 Ų58.84%0.03732%0.324CS..Hα-helixtrans-69.2-34.3-179.3-55.80000112.3L8 S9 E14 K15 A16 E152 I155L8-T12 HydrophobicContact CD2-CG2 4.02Å; S9-T12 PolarHBondContact O-N 3.34Å; S9-T12 WeakPolarHBondContact OG-CB 3.43Å; S9-T12 PolarHBondContact OG-N 3.07Å; S9-T12 VanDerWaalsContact OG-N 3.08Å; S9-T12 PolarHBondContact OG-OG1 3.34Å; T12-E14 VanDerWaalsContact C-N 3.34Å; T12-K15 PolarHBondContact O-N 2.94Å; T12-A16 WeakPolarHBondContact O-CB 3.17Å; T12-A16 PolarHBondContact O-N 2.82Å; T12-E152 VanDerWaalsContact CB-OE1 3.3Å; T12-E152 WeakPolarHBondContact CB-OE1 3.4Å; T12-E152 WeakPolarHBondContact CB-OE2 3.38Å; T12-E152 WeakPolarHBondContact CG2-OE2 3.44Å; T12-E152 PolarHBondContact OG1-OE1 3.46Å; T12-E152 VanDerWaalsContact OG1-OE1 3.13Å; T12-E152 PolarHBondContact OG1-OE2 3.45Å; T12-I155 HydrophobicContact CG2-CB 3.74Å; T12-I155 HydrophobicContact CG2-CD1 3.62Å; T12-I155 HydrophobicContact CG2-CG1 4.29Å; T12-I155 HydrophobicContact CG2-CG2 3.64Å
13T95.9Very high92.1Very high36 Ų3660.3 Ų60.322%0.22133%0.33CS..Hα-helixtrans-60.9-45.3172.8-58.80000110.9S9 E11 A16 R17S9-T13 WeakPolarHBondContact O-CB 3.48Å; S9-T13 PolarHBondContact O-N 3.26Å; S9-T13 PolarHBondContact O-OG1 3.09Å; E11-T13 VanDerWaalsContact C-N 3.34Å; E11-T13 PolarHBondContact O-N 2.9Å; T13-A16 PolarHBondContact O-N 3.24Å; T13-R17 PolarHBondContact O-N 3.37Å; T13-R17 VanDerWaalsContact O-N 3.08Å
14E96.4Very high92.7Very high73 Ų7356.5 Ų56.534%0.34132%0.316SS..Hα-helixtrans-66.7-39.6177.5-178.757.4-167.100111.8S10 E11 T12 A16 R17 Q18S10-E14 PolarHBondContact O-N 3.46Å; S10-E14 VanDerWaalsContact O-N 3.09Å; E11-E14 PolarHBondContact O-N 3.08Å; T12-E14 VanDerWaalsContact C-N 3.34Å; E14-A16 PolarHBondContact O-N 3.49Å; E14-R17 WeakPolarHBondContact O-CB 3.42Å; E14-R17 PolarHBondContact O-N 3.34Å; E14-R17 IonicContact OE1-CZ 3.98Å; E14-R17 IonicContact OE1-NE 3.31Å; E14-R17 PolarHBondContact OE1-NE 3.24Å; E14-R17 IonicContact OE1-NH2 3.91Å; E14-R17 PolarHBondContact OE1-NH2 2.69Å; E14-R17 IonicContact OE2-CZ 3.41Å; E14-R17 IonicContact OE2-NE 3.35Å; E14-R17 PolarHBondContact OE2-NE 3.3Å; E14-R17 IonicContact OE2-NH2 2.67Å; E14-Q18 HydrophobicContact CG-CG 4.45Å; E14-Q18 WeakPolarHBondContact O-CG 3.41Å; E14-Q18 PolarHBondContact O-N 3.13Å; E14-Q18 PolarHBondContact OE1-NE2 3.35Å
15K97Very high93.5Very high36 Ų3663.6 Ų63.616%0.15735%0.354CS..Hα-helixtrans-60.4-42.7173.5-174176.2-179.6177.90112.4E11 T12 R17 Q18 E19 H114 I155 N156E11-K15 WeakPolarHBondContact O-CB 3.49Å; E11-K15 PolarHBondContact O-N 3.43Å; T12-K15 PolarHBondContact O-N 2.94Å; K15-R17 VanDerWaalsContact C-N 3.34Å; K15-R17 PolarHBondContact O-N 3.11Å; K15-Q18 PolarHBondContact O-N 3.13Å; K15-E19 VanDerWaalsContact CE-OE1 3.25Å; K15-E19 WeakPolarHBondContact CE-OE1 3.25Å; K15-E19 HydrophobicContact CG-CG 4.1Å; K15-E19 WeakPolarHBondContact CG-OE1 3.13Å; K15-E19 WeakPolarHBondContact O-CB 3.45Å; K15-E19 PolarHBondContact O-N 2.9Å; K15-H114 PolarHBondContact NZ-O 3.22Å; K15-H114 VanDerWaalsContact NZ-O 3.1Å; K15-I155 HydrophobicContact CB-CG2 4.38Å; K15-I155 HydrophobicContact CD-CG2 4.31Å; K15-I155 HydrophobicContact CG-CG2 4.21Å; K15-N156 WeakPolarHBondContact CD-OD1 3.3Å; K15-N156 PolarHBondContact NZ-OD1 3.08Å
16A97.3Very high94.2Very high0 Ų064.9 Ų64.90%036%0.364CS..Hα-helixtrans-61.6-43.4176.200000111.6T12 T13 E14 L20 N21 E22 I155T12-A16 WeakPolarHBondContact O-CB 3.17Å; T12-A16 PolarHBondContact O-N 2.82Å; T13-A16 PolarHBondContact O-N 3.24Å; E14-A16 PolarHBondContact O-N 3.49Å; A16-L20 HydrophobicContact CB-CD1 4.33Å; A16-L20 CarbonylContact O-C 3.51Å; A16-L20 WeakPolarHBondContact O-CA 3.49Å; A16-L20 WeakPolarHBondContact O-CB 3.34Å; A16-L20 PolarHBondContact O-N 3.46Å; A16-N21 PolarHBondContact O-N 2.79Å; A16-E22 HydrophobicContact CB-CB 3.91Å; A16-E22 HydrophobicContact CB-CG 4.49Å; A16-E22 PolarHBondContact O-N 2.91Å; A16-I155 HydrophobicContact CB-CD1 3.8Å; A16-I155 HydrophobicContact CB-CG1 4Å; A16-I155 HydrophobicContact CB-CG2 4.04Å
17R96.9Very high94.9Very high132 Ų13261.8 Ų61.850%0.49834%0.339SS..Hα-helixtrans-59.8-47.6175.7-167-168.970.375.5-0.7111.5T13 E14 K15 N21T13-R17 PolarHBondContact O-N 3.37Å; T13-R17 VanDerWaalsContact O-N 3.08Å; E14-R17 WeakPolarHBondContact O-CB 3.42Å; E14-R17 PolarHBondContact O-N 3.34Å; E14-R17 IonicContact OE1-CZ 3.98Å; E14-R17 IonicContact OE1-NE 3.31Å; E14-R17 PolarHBondContact OE1-NE 3.24Å; E14-R17 IonicContact OE1-NH2 3.91Å; E14-R17 PolarHBondContact OE1-NH2 2.69Å; E14-R17 IonicContact OE2-CZ 3.41Å; E14-R17 IonicContact OE2-NE 3.35Å; E14-R17 PolarHBondContact OE2-NE 3.3Å; E14-R17 IonicContact OE2-NH2 2.67Å; K15-R17 VanDerWaalsContact C-N 3.34Å; K15-R17 PolarHBondContact O-N 3.11Å; R17-N21 WeakPolarHBondContact O-CA 3.48Å; R17-N21 PolarHBondContact O-N 2.9Å
18Q97.6Very high95.5Very high124 Ų12463.4 Ų63.458%0.57933%0.329SS*.Hα-helixtrans-75.4-43.9-175.5-68.8-178.74.100113.7E14 K15E14-Q18 HydrophobicContact CG-CG 4.45Å; E14-Q18 WeakPolarHBondContact O-CG 3.41Å; E14-Q18 PolarHBondContact O-N 3.13Å; E14-Q18 PolarHBondContact OE1-NE2 3.35Å; K15-Q18 PolarHBondContact O-N 3.13Å
19E96.9Very high95.7Very high81 Ų8165.5 Ų65.538%0.37935%0.349SS..Hα-helixtrans-94.3-27.8-171.6-65.1-172.4-169.200114K15 K62 R194K15-E19 VanDerWaalsContact CE-OE1 3.25Å; K15-E19 WeakPolarHBondContact CE-OE1 3.25Å; K15-E19 HydrophobicContact CG-CG 4.1Å; K15-E19 WeakPolarHBondContact CG-OE1 3.13Å; K15-E19 WeakPolarHBondContact O-CB 3.45Å; K15-E19 PolarHBondContact O-N 2.9Å; E19-K62 WeakPolarHBondContact O-CD 3.36Å; E19-K62 WeakPolarHBondContact O-CE 3.27Å; E19-K62 PolarHBondContact O-NZ 3.48Å; E19-R194 IonicContact OE2-NH2 2.65Å; E19-R194 PolarHBondContact OE2-NH2 2.91Å; E19-R194 VanDerWaalsContact OE2-NH2 3.09Å
20L97.4Very high95.9Very high0 Ų064 Ų640%034%0.337CS..Hα-helixtrans-113.9-7.7-171.8-45.3-177.6000113.1A16 E22 R59 K62 F63 I155A16-L20 HydrophobicContact CB-CD1 4.33Å; A16-L20 CarbonylContact O-C 3.51Å; A16-L20 WeakPolarHBondContact O-CA 3.49Å; A16-L20 WeakPolarHBondContact O-CB 3.34Å; A16-L20 PolarHBondContact O-N 3.46Å; L20-E22 PolarHBondContact O-N 3.03Å; L20-R59 HydrophobicContact CD1-CB 4.03Å; L20-R59 HydrophobicContact CD1-CG 4.17Å; L20-K62 HydrophobicContact CD2-CG 4.2Å; L20-K62 CarbonylContact O-C 2.92Å; L20-K62 WeakPolarHBondContact O-CA 3.44Å; L20-K62 VanDerWaalsContact O-O 3.07Å; L20-F63 HydrophobicContact CB-CD2 4.38Å; L20-F63 VanDerWaalsContact O-CD2 3.29Å; L20-F63 WeakPolarHBondContact O-CD2 3.2Å; L20-I155 HydrophobicContact CD1-CB 4.3Å; L20-I155 HydrophobicContact CD1-CG1 3.92Å; L20-I155 HydrophobicContact CD1-CG2 4.16Å
21N97.7Very high96.1Very high107 Ų10759 Ų5957%0.57230%0.302SS*.  trans61.428.3-172.3-42.7-57.6000113.1A16 R17 N23 K62A16-N21 PolarHBondContact O-N 2.79Å; R17-N21 WeakPolarHBondContact O-CA 3.48Å; R17-N21 PolarHBondContact O-N 2.9Å; N21-N23 PolarHBondContact O-N 2.98Å; N21-K62 PolarHBondContact ND2-O 3.28Å
22E96.8Very high96.2Very high3 Ų355.7 Ų55.71%0.01429%0.286CS..  trans-67.1118.6175.8-174.4160.8152.600109.8Q5 A16 L20 L27 R59 F63Q5-E22 PolarHBondContact NE2-OE1 3.37Å; Q5-E22 VanDerWaalsContact NE2-OE1 3.11Å; A16-E22 HydrophobicContact CB-CB 3.91Å; A16-E22 HydrophobicContact CB-CG 4.49Å; A16-E22 PolarHBondContact O-N 2.91Å; L20-E22 PolarHBondContact O-N 3.03Å; E22-L27 HydrophobicContact CG-CD2 3.97Å; E22-R59 IonicContact OE1-CZ 2.99Å; E22-R59 IonicContact OE1-NE 2.75Å; E22-R59 IonicContact OE1-NH2 3.41Å; E22-R59 PolarHBondContact OE1-NH2 3.23Å; E22-R59 WeakPolarHBondContact OE2-CG 3.29Å; E22-R59 IonicContact OE2-CZ 3.71Å; E22-R59 IonicContact OE2-NE 3.69Å; E22-R59 PolarHBondContact OE2-NE 3.32Å; E22-R59 IonicContact OE2-NH2 3.82Å; E22-R59 PolarHBondContact OE2-NH2 3.5Å; E22-F63 HydrophobicContact CB-CD2 4.08Å; E22-F63 HydrophobicContact CB-CE2 3.41Å; E22-F63 VanDerWaalsContact CB-CE2 3.41Å; E22-F63 HydrophobicContact CB-CZ 3.74Å; E22-F63 HydrophobicContact CG-CE1 4.25Å; E22-F63 HydrophobicContact CG-CE2 3.66Å; E22-F63 HydrophobicContact CG-CZ 3.41Å; E22-F63 VanDerWaalsContact CG-CZ 3.41Å
23N94.8Very high96.3Very high71 Ų7159.9 Ų59.938%0.3831%0.305SS..  trans-115.5114.9175.6-179.70.9000109.9N21 D25 S26 L27N21-N23 PolarHBondContact O-N 2.98Å; N23-D25 PolarHBondContact O-N 3.1Å; N23-D25 VanDerWaalsContact O-N 3.11Å; N23-D25 PolarHBondContact OD1-N 3.26Å; N23-D25 VanDerWaalsContact OD1-N 3.1Å; N23-S26 PolarHBondContact O-N 2.82Å; N23-S26 VanDerWaalsContact O-N 3.13Å; N23-S26 PolarHBondContact O-OG 3.23Å; N23-L27 WeakPolarHBondContact O-CG 3.1Å; N23-L27 PolarHBondContact O-N 3.31Å
24P91.3Very high96.5Very high43 Ų4358.1 Ų58.128%0.27930%0.295SS..THydrogen-bonded Turntrans-53.4-32.6179.9-24.932.3000114.3
25D93.3Very high96.5Very high153 Ų15357.6 Ų57.682%0.81829%0.289SS*.THydrogen-bonded Turntrans-77.4-23.5-174.8-60.8-31.2000112.6N23N23-D25 PolarHBondContact O-N 3.1Å; N23-D25 VanDerWaalsContact O-N 3.11Å; N23-D25 PolarHBondContact OD1-N 3.26Å; N23-D25 VanDerWaalsContact OD1-N 3.1Å
26S95.1Very high96.5Very high34 Ų3460.4 Ų60.424%0.23831%0.306CS..THydrogen-bonded Turntrans-102.8-7.3-179.668.40000114.5N23 H28 A29 D30N23-S26 PolarHBondContact O-N 2.82Å; N23-S26 VanDerWaalsContact O-N 3.13Å; N23-S26 PolarHBondContact O-OG 3.23Å; S26-H28 VanDerWaalsContact C-N 3.33Å; S26-H28 PolarHBondContact O-N 3.28Å; S26-H28 VanDerWaalsContact O-N 3.13Å; S26-A29 WeakPolarHBondContact O-CA 3.34Å; S26-A29 WeakPolarHBondContact O-CB 3.46Å; S26-A29 PolarHBondContact O-N 2.81Å; S26-D30 WeakPolarHBondContact CB-OD2 3.21Å; S26-D30 PolarHBondContact O-N 2.86Å; S26-D30 PolarHBondContact OG-OD2 3.41Å
27L94.3Very high96.6Very high0 Ų062.4 Ų62.40%032%0.316CS..Hα-helixtrans-46.8-50-172.5-74.8178.9000114.1L4 Q5 E22 N23 A29 D30 I31 L55 F63L4-L27 HydrophobicContact CB-CD1 4.14Å; L4-L27 HydrophobicContact CD1-CB 4.23Å; L4-L27 HydrophobicContact CD1-CD1 4.45Å; Q5-L27 HydrophobicContact CG-CD1 3.97Å; E22-L27 HydrophobicContact CG-CD2 3.97Å; N23-L27 WeakPolarHBondContact O-CG 3.1Å; N23-L27 PolarHBondContact O-N 3.31Å; L27-A29 VanDerWaalsContact C-N 3.34Å; L27-A29 PolarHBondContact O-N 3.16Å; L27-D30 PolarHBondContact O-N 2.76Å; L27-I31 VanDerWaalsContact O-CG1 3.27Å; L27-I31 WeakPolarHBondContact O-CG1 3.29Å; L27-I31 PolarHBondContact O-N 3.13Å; L27-L55 HydrophobicContact CD2-CD1 4.02Å; L27-F63 HydrophobicContact CD2-CE1 3.54Å; L27-F63 HydrophobicContact CD2-CZ 3.78Å
28H95.5Very high96.5Very high99 Ų9957.2 Ų57.246%0.45830%0.298SS..Hα-helixtrans-66.3-37-178.4-64.790.1000112.1S26 Q32S26-H28 VanDerWaalsContact C-N 3.33Å; S26-H28 PolarHBondContact O-N 3.28Å; S26-H28 VanDerWaalsContact O-N 3.13Å; H28-Q32 WeakPolarHBondContact O-CB 3.49Å; H28-Q32 PolarHBondContact O-N 2.81Å
29A97.2Very high96.3Very high63 Ų6357 Ų5752%0.52131%0.305SS..Hα-helixtrans-69-40.7176.700000111.4S26 L27 Q32 Q33S26-A29 WeakPolarHBondContact O-CA 3.34Å; S26-A29 WeakPolarHBondContact O-CB 3.46Å; S26-A29 PolarHBondContact O-N 2.81Å; L27-A29 VanDerWaalsContact C-N 3.34Å; L27-A29 PolarHBondContact O-N 3.16Å; A29-Q32 PolarHBondContact O-N 3.31Å; A29-Q33 PolarHBondContact O-N 3.35Å
30D97.9Very high96.3Very high18 Ų1857.7 Ų57.710%0.09632%0.315CS..Hα-helixtrans-62.4-44176.8-68.1-44.2000111.6S26 L27 Q33 V34 L58 F63 Q65S26-D30 WeakPolarHBondContact CB-OD2 3.21Å; S26-D30 PolarHBondContact O-N 2.86Å; S26-D30 PolarHBondContact OG-OD2 3.41Å; L27-D30 PolarHBondContact O-N 2.76Å; D30-Q33 PolarHBondContact O-N 3.49Å; D30-V34 WeakPolarHBondContact O-CG2 3.14Å; D30-V34 PolarHBondContact O-N 2.51Å; D30-L58 HydrophobicContact CB-CD1 4.13Å; D30-L58 HydrophobicContact CB-CD2 4.33Å; D30-F63 HydrophobicContact CB-CD1 4.27Å; D30-Q65 PolarHBondContact OD1-NE2 3.45Å
31I97.8Very high96.2Very high1 Ų161.1 Ų61.11%0.00533%0.328CS..Hα-helixtrans-64.2-45175.5-67.5167000110.5L4 L27 Q33 V34 R35 D51 I54 L58L4-I31 HydrophobicContact CD1-CD1 3.84Å; L27-I31 VanDerWaalsContact O-CG1 3.27Å; L27-I31 WeakPolarHBondContact O-CG1 3.29Å; L27-I31 PolarHBondContact O-N 3.13Å; I31-Q33 VanDerWaalsContact C-N 3.33Å; I31-Q33 PolarHBondContact O-N 2.93Å; I31-V34 PolarHBondContact O-N 3.3Å; I31-R35 VanDerWaalsContact CG2-NH1 3.31Å; I31-R35 PolarHBondContact O-N 2.84Å; I31-D51 HydrophobicContact CD1-CB 3.97Å; I31-I54 HydrophobicContact CB-CG2 4.43Å; I31-I54 HydrophobicContact CG1-CG2 4.26Å; I31-I54 HydrophobicContact CG2-CB 4.23Å; I31-I54 HydrophobicContact CG2-CD1 4Å; I31-I54 HydrophobicContact CG2-CG2 4.08Å; I31-L58 HydrophobicContact CG1-CD1 3.64Å
32Q97.9Very high96Very high89 Ų8961.7 Ų61.742%0.41634%0.337SS..Hα-helixtrans-62.2-41.2-180-173.157.638.200111.8H28 A29 V34 R35 D36H28-Q32 WeakPolarHBondContact O-CB 3.49Å; H28-Q32 PolarHBondContact O-N 2.81Å; A29-Q32 PolarHBondContact O-N 3.31Å; Q32-V34 VanDerWaalsContact C-N 3.26Å; Q32-V34 PolarHBondContact O-N 2.98Å; Q32-R35 WeakPolarHBondContact O-CB 3.27Å; Q32-R35 PolarHBondContact O-N 3.41Å; Q32-D36 PolarHBondContact NE2-OD1 2.99Å; Q32-D36 VanDerWaalsContact O-CG 3.28Å; Q32-D36 PolarHBondContact O-N 3.5Å
33Q98.2Very high95.9Very high94 Ų9466.2 Ų66.244%0.43936%0.362SS..Hα-helixtrans-59.9-37.6176.7-172.4173.759.500112.1A29 D30 I31 D36 M37 Q65A29-Q33 PolarHBondContact O-N 3.35Å; D30-Q33 PolarHBondContact O-N 3.49Å; I31-Q33 VanDerWaalsContact C-N 3.33Å; I31-Q33 PolarHBondContact O-N 2.93Å; Q33-D36 PolarHBondContact O-N 3.43Å; Q33-M37 HydrophobicContact CG-CE 4.32Å; Q33-M37 WeakPolarHBondContact O-CE 3.34Å; Q33-M37 PolarHBondContact O-N 3.31Å; Q33-Q65 HydrophobicContact CB-CG 4.5Å; Q33-Q65 HydrophobicContact CG-CB 4.33Å; Q33-Q65 HydrophobicContact CG-CG 4.48Å; Q33-Q65 VanDerWaalsContact OE1-CB 3.23Å
34V98.3Very high95.9Very high0 Ų063.2 Ų63.20%035%0.346CS..Hα-helixtrans-67.2-39.9174.4178.10000111.4D30 I31 Q32 D36 M37 I38 I54 L58 Q65 T68 L72D30-V34 WeakPolarHBondContact O-CG2 3.14Å; D30-V34 PolarHBondContact O-N 2.51Å; I31-V34 PolarHBondContact O-N 3.3Å; Q32-V34 VanDerWaalsContact C-N 3.26Å; Q32-V34 PolarHBondContact O-N 2.98Å; V34-D36 VanDerWaalsContact C-N 3.34Å; V34-D36 PolarHBondContact O-N 3.19Å; V34-M37 HydrophobicContact CG2-CE 4.25Å; V34-M37 PolarHBondContact O-N 3.36Å; V34-I38 WeakPolarHBondContact O-CG1 3.43Å; V34-I38 PolarHBondContact O-N 2.97Å; V34-I54 HydrophobicContact CB-CG2 4.01Å; V34-I54 HydrophobicContact CG1-CG2 3.97Å; V34-I54 HydrophobicContact CG2-CG2 4.39Å; V34-L58 HydrophobicContact CG2-CD2 4.02Å; V34-Q65 HydrophobicContact CG2-CB 4.22Å; V34-T68 HydrophobicContact CG1-CG2 4.2Å; V34-T68 HydrophobicContact CG2-CG2 3.73Å; V34-L72 HydrophobicContact CG1-CD2 3.9Å
35R97.4Very high96Very high61 Ų6162.6 Ų62.623%0.2335%0.347CS..Hα-helixtrans-61.9-40.8175.2-72-175.6175.3119.48.2112.7I31 Q32 M37 I38 T49 D51 I54I31-R35 VanDerWaalsContact CG2-NH1 3.31Å; I31-R35 PolarHBondContact O-N 2.84Å; Q32-R35 WeakPolarHBondContact O-CB 3.27Å; Q32-R35 PolarHBondContact O-N 3.41Å; R35-M37 PolarHBondContact O-N 2.77Å; R35-I38 WeakPolarHBondContact O-CB 3.5Å; R35-I38 PolarHBondContact O-N 2.62Å; R35-T49 PolarHBondContact NE-O 2.62Å; R35-T49 PolarHBondContact NH2-O 3.19Å; R35-D51 IonicContact CZ-OD1 3.99Å; R35-D51 IonicContact NH1-OD1 3.72Å; R35-D51 PolarHBondContact NH1-OD1 3.09Å; R35-D51 VanDerWaalsContact NH2-N 3.18Å; R35-D51 IonicContact NH2-OD1 2.68Å; R35-D51 PolarHBondContact NH2-OD1 3.43Å; R35-I54 HydrophobicContact CG-CD1 3.57Å
36D97.7Very high96Very high95 Ų9557 Ų5751%0.50832%0.316SS..Hα-helixtrans-61.9-35.7178.7-62.9-17.2000110.9Q32 Q33 V34Q32-D36 PolarHBondContact NE2-OD1 2.99Å; Q32-D36 VanDerWaalsContact O-CG 3.28Å; Q32-D36 PolarHBondContact O-N 3.5Å; Q33-D36 PolarHBondContact O-N 3.43Å; V34-D36 VanDerWaalsContact C-N 3.34Å; V34-D36 PolarHBondContact O-N 3.19Å
37M98.1Very high95.8Very high43 Ų4363.1 Ų63.121%0.21234%0.344CS..Hα-helixtrans-70-31.5174.3-69.8-175.5-80.300113.4Q33 V34 R35 V39 T40 Q65 F69Q33-M37 HydrophobicContact CG-CE 4.32Å; Q33-M37 WeakPolarHBondContact O-CE 3.34Å; Q33-M37 PolarHBondContact O-N 3.31Å; V34-M37 HydrophobicContact CG2-CE 4.25Å; V34-M37 PolarHBondContact O-N 3.36Å; R35-M37 PolarHBondContact O-N 2.77Å; M37-V39 VanDerWaalsContact C-N 3.26Å; M37-V39 PolarHBondContact O-N 2.83Å; M37-T40 WeakPolarHBondContact O-CB 3.28Å; M37-T40 PolarHBondContact O-N 3.09Å; M37-T40 PolarHBondContact O-OG1 3.42Å; M37-Q65 HydrophobicContact CE-CB 3.85Å; M37-Q65 VanDerWaalsContact CE-O 3.29Å; M37-Q65 WeakPolarHBondContact CE-O 3.41Å; M37-F69 HydrophobicContact CB-CB 4.19Å; M37-F69 HydrophobicContact CB-CD1 3.93Å; M37-F69 HydrophobicContact CB-CD2 3.68Å; M37-F69 HydrophobicContact CB-CE1 4.19Å; M37-F69 HydrophobicContact CB-CE2 4Å; M37-F69 HydrophobicContact CB-CG 3.64Å; M37-F69 HydrophobicContact CB-CZ 4.22Å; M37-F69 HydrophobicContact CE-CB 3.79Å; M37-F69 HydrophobicContact CG-CG 4.46Å; M37-F69 WeakPolarHBondContact O-CE2 3.22Å; M37-F69 VanDerWaalsContact O-CZ 3.26Å; M37-F69 WeakPolarHBondContact O-CZ 3.28Å; M37-F69 HydrophobicContact SD-CB 3.85Å; M37-F69 HydrophobicContact SD-CD1 4.17Å; M37-F69 HydrophobicContact SD-CG 4.1Å
38I95.9Very high95.7Very high23 Ų2367.2 Ų67.212%0.11836%0.36CS..Hα-helixtrans-57.8-40.2177.2-70.8170000111.6V34 R35 T40 R41 F46 T49 F69 L72V34-I38 WeakPolarHBondContact O-CG1 3.43Å; V34-I38 PolarHBondContact O-N 2.97Å; R35-I38 WeakPolarHBondContact O-CB 3.5Å; R35-I38 PolarHBondContact O-N 2.62Å; I38-T40 PolarHBondContact O-N 3.08Å; I38-T40 VanDerWaalsContact O-N 3.12Å; I38-R41 PolarHBondContact O-N 3.14Å; I38-R41 VanDerWaalsContact O-N 3.12Å; I38-F46 HydrophobicContact CB-CE2 4.48Å; I38-F46 HydrophobicContact CG1-CD1 4.29Å; I38-F46 HydrophobicContact CG1-CE1 4.2Å; I38-F46 HydrophobicContact CG1-CZ 4.38Å; I38-F46 HydrophobicContact CG2-CB 4.16Å; I38-F46 HydrophobicContact CG2-CD1 4.24Å; I38-F46 HydrophobicContact CG2-CD2 3.51Å; I38-F46 HydrophobicContact CG2-CE2 3.82Å; I38-F46 HydrophobicContact CG2-CG 3.73Å; I38-F46 HydrophobicContact CG2-CZ 4.35Å; I38-T49 HydrophobicContact CD1-CG2 3.67Å; I38-F69 HydrophobicContact CG1-CD2 4.29Å; I38-F69 HydrophobicContact CG1-CE2 4.14Å; I38-L72 HydrophobicContact CD1-CD2 3.63Å; I38-L72 HydrophobicContact CG1-CD2 4.04Å
39V93.8Very high95.7Very high119 Ų11965 Ų6572%0.72135%0.354SS*.THydrogen-bonded Turntrans-62.3-22.6179.8-176.40000112.3M37 R41M37-V39 VanDerWaalsContact C-N 3.26Å; M37-V39 PolarHBondContact O-N 2.83Å; V39-R41 VanDerWaalsContact C-N 3.28Å; V39-R41 PolarHBondContact O-N 2.88Å
40T95.7Very high95.6Very high96 Ų9664.7 Ų64.759%0.58934%0.343SS*.THydrogen-bonded Turntrans-77.1-9.6179.9750000114.1M37 I38 P42M37-T40 WeakPolarHBondContact O-CB 3.28Å; M37-T40 PolarHBondContact O-N 3.09Å; M37-T40 PolarHBondContact O-OG1 3.42Å; I38-T40 PolarHBondContact O-N 3.08Å; I38-T40 VanDerWaalsContact O-N 3.12Å; T40-P42 VanDerWaalsContact C-CD 3.45Å; T40-P42 WeakPolarHBondContact O-CD 3.27Å
41R95.8Very high95.5Very high72 Ų7265.6 Ų65.627%0.27235%0.348SS..  trans-125.266.3-178-71.6-64.6-56.4-73.8-1.3112.2I38 V39 D43 I44 F46 F69I38-R41 PolarHBondContact O-N 3.14Å; I38-R41 VanDerWaalsContact O-N 3.12Å; V39-R41 VanDerWaalsContact C-N 3.28Å; V39-R41 PolarHBondContact O-N 2.88Å; R41-D43 IonicContact CZ-OD1 2.77Å; R41-D43 IonicContact CZ-OD2 3.12Å; R41-D43 IonicContact NE-OD1 3.01Å; R41-D43 PolarHBondContact NE-OD1 2.65Å; R41-D43 IonicContact NE-OD2 2.61Å; R41-D43 PolarHBondContact NE-OD2 3.21Å; R41-D43 IonicContact NH2-OD1 3.92Å; R41-D43 IonicContact NH2-OD2 3.09Å; R41-D43 PolarHBondContact NH2-OD2 2.81Å; R41-D43 PolarHBondContact O-N 2.95Å; R41-D43 VanDerWaalsContact O-N 3.12Å; R41-I44 HydrophobicContact CB-CD1 4.12Å; R41-I44 HydrophobicContact CB-CG1 4.41Å; R41-I44 PolarHBondContact O-N 2.61Å; R41-I44 VanDerWaalsContact O-N 3.14Å; R41-F46 HydrophobicContact CB-CE2 4.15Å; R41-F46 HydrophobicContact CB-CZ 4.43Å; R41-F69 HydrophobicContact CB-CZ 4.17Å; R41-F69 HydrophobicContact CG-CE1 4.23Å; R41-F69 HydrophobicContact CG-CZ 3.66Å
42P94.3Very high95.3Very high119 Ų11969.7 Ų69.777%0.77337%0.37SS*.THydrogen-bonded Turntrans-66-12.2-17929.5-36.9000113.8T40 I44T40-P42 VanDerWaalsContact C-CD 3.45Å; T40-P42 WeakPolarHBondContact O-CD 3.27Å; P42-I44 VanDerWaalsContact C-N 3.28Å
43D94.1Very high95.3Very high98 Ų9865.6 Ų65.652%0.52435%0.351SS..THydrogen-bonded Turntrans-73.3-17.2174.863.1-62.4000113.5R41R41-D43 IonicContact CZ-OD1 2.77Å; R41-D43 IonicContact CZ-OD2 3.12Å; R41-D43 IonicContact NE-OD1 3.01Å; R41-D43 PolarHBondContact NE-OD1 2.65Å; R41-D43 IonicContact NE-OD2 2.61Å; R41-D43 PolarHBondContact NE-OD2 3.21Å; R41-D43 IonicContact NH2-OD1 3.92Å; R41-D43 IonicContact NH2-OD2 3.09Å; R41-D43 PolarHBondContact NH2-OD2 2.81Å; R41-D43 PolarHBondContact O-N 2.95Å; R41-D43 VanDerWaalsContact O-N 3.12Å
44I94.8Very high95.3Very high8 Ų861.1 Ų61.14%0.04133%0.33CS..SBendtrans-99.1129.8178.6-57.2175.5000109.9R41 P42 F46 A73 F76 Q77R41-I44 HydrophobicContact CB-CD1 4.12Å; R41-I44 HydrophobicContact CB-CG1 4.41Å; R41-I44 PolarHBondContact O-N 2.61Å; R41-I44 VanDerWaalsContact O-N 3.14Å; P42-I44 VanDerWaalsContact C-N 3.28Å; I44-F46 HydrophobicContact CB-CD2 3.96Å; I44-F46 HydrophobicContact CB-CE2 3.51Å; I44-F46 HydrophobicContact CB-CZ 3.86Å; I44-F46 HydrophobicContact CD1-CE2 4.28Å; I44-F46 HydrophobicContact CD1-CZ 3.88Å; I44-F46 HydrophobicContact CG1-CE2 4.42Å; I44-F46 HydrophobicContact CG1-CZ 4.47Å; I44-F46 HydrophobicContact CG2-CD1 4.26Å; I44-F46 HydrophobicContact CG2-CD2 3.94Å; I44-F46 HydrophobicContact CG2-CE1 4.03Å; I44-F46 HydrophobicContact CG2-CE2 3.75Å; I44-F46 HydrophobicContact CG2-CG 4.21Å; I44-F46 HydrophobicContact CG2-CZ 3.78Å; I44-F46 VanDerWaalsContact O-CD2 3.27Å; I44-F46 WeakPolarHBondContact O-CD2 3.4Å; I44-F46 PolarHBondContact O-N 3.46Å; I44-A73 HydrophobicContact CD1-CB 3.61Å; I44-F76 HydrophobicContact CG2-CB 3.57Å; I44-Q77 HydrophobicContact CD1-CG 3.6Å; I44-Q77 HydrophobicContact CG1-CG 3.66Å; I44-Q77 HydrophobicContact CG2-CG 4.29Å
45G92.5Very high95.2Very high30 Ų3061.2 Ų61.231%0.30933%0.33SS..  trans-79.881.1173.800000111.5L47 F76G45-L47 PolarHBondContact O-N 3.42Å; G45-F76 WeakPolarHBondContact O-CD1 3.24Å
46F93.6Very high95.3Very high36 Ų3658.7 Ų58.716%0.15832%0.321CS..  trans-71.295.8174.2-63.3-86.8000110.4I38 R41 I44 T49 F69 L72 A73 F76I38-F46 HydrophobicContact CB-CE2 4.48Å; I38-F46 HydrophobicContact CG1-CD1 4.29Å; I38-F46 HydrophobicContact CG1-CE1 4.2Å; I38-F46 HydrophobicContact CG1-CZ 4.38Å; I38-F46 HydrophobicContact CG2-CB 4.16Å; I38-F46 HydrophobicContact CG2-CD1 4.24Å; I38-F46 HydrophobicContact CG2-CD2 3.51Å; I38-F46 HydrophobicContact CG2-CE2 3.82Å; I38-F46 HydrophobicContact CG2-CG 3.73Å; I38-F46 HydrophobicContact CG2-CZ 4.35Å; R41-F46 HydrophobicContact CB-CE2 4.15Å; R41-F46 HydrophobicContact CB-CZ 4.43Å; I44-F46 HydrophobicContact CB-CD2 3.96Å; I44-F46 HydrophobicContact CB-CE2 3.51Å; I44-F46 HydrophobicContact CB-CZ 3.86Å; I44-F46 HydrophobicContact CD1-CE2 4.28Å; I44-F46 HydrophobicContact CD1-CZ 3.88Å; I44-F46 HydrophobicContact CG1-CE2 4.42Å; I44-F46 HydrophobicContact CG1-CZ 4.47Å; I44-F46 HydrophobicContact CG2-CD1 4.26Å; I44-F46 HydrophobicContact CG2-CD2 3.94Å; I44-F46 HydrophobicContact CG2-CE1 4.03Å; I44-F46 HydrophobicContact CG2-CE2 3.75Å; I44-F46 HydrophobicContact CG2-CG 4.21Å; I44-F46 HydrophobicContact CG2-CZ 3.78Å; I44-F46 VanDerWaalsContact O-CD2 3.27Å; I44-F46 WeakPolarHBondContact O-CD2 3.4Å; I44-F46 PolarHBondContact O-N 3.46Å; F46-T49 HydrophobicContact CB-CG2 4.12Å; F46-F69 HydrophobicContact CE1-CE2 4.5Å; F46-F69 AromaticContact CZ-CE2 3.98Å; F46-F69 HydrophobicContact CZ-CE2 3.98Å; F46-L72 HydrophobicContact CD1-CG 4.3Å; F46-L72 HydrophobicContact CE1-CD2 4.49Å; F46-L72 HydrophobicContact CE1-CG 4.12Å; F46-A73 HydrophobicContact CE1-CB 4.49Å; F46-A73 HydrophobicContact CZ-CB 4.34Å; F46-F76 HydrophobicContact CB-CD2 4.4Å; F46-F76 HydrophobicContact CB-CE2 4.32Å; F46-F76 AromaticContact CD1-CD2 3.39Å; F46-F76 HydrophobicContact CD1-CD2 3.39Å; F46-F76 AromaticContact CD1-CE2 3.76Å; F46-F76 HydrophobicContact CD1-CE2 3.76Å; F46-F76 HydrophobicContact CD1-CG 4.27Å; F46-F76 HydrophobicContact CE1-CD2 4.03Å; F46-F76 HydrophobicContact CG-CD2 4.2Å; F46-F76 HydrophobicContact CG-CE2 4.49Å
47L90.8Very high95.3Very high161 Ų16154.2 Ų54.284%0.84330%0.297SS*.  trans-79.8-14.9-174.6-59.5175.5000114G45 F76G45-L47 PolarHBondContact O-N 3.42Å; L47-F76 HydrophobicContact CB-CE1 3.9Å; L47-F76 HydrophobicContact CG-CE1 4.39Å; L47-F76 VanDerWaalsContact N-CE1 3.32Å
48R93Very high95.3Very high87 Ų8752.1 Ų52.133%0.32829%0.286SS..  trans-149.5129.2-176.3-171.6174.3175.9-175.5-3.6110.8D50 F53 F76 E149R48-D50 WeakPolarHBondContact CD-OD2 3.37Å; R48-D50 WeakPolarHBondContact CG-OD2 3.46Å; R48-D50 IonicContact CZ-OD1 2.85Å; R48-D50 IonicContact CZ-OD2 3.72Å; R48-D50 IonicContact NE-OD1 3.42Å; R48-D50 PolarHBondContact NE-OD1 3.33Å; R48-D50 IonicContact NE-OD2 2.62Å; R48-D50 PolarHBondContact NE-OD2 2.88Å; R48-D50 IonicContact NH2-OD1 3.47Å; R48-D50 PolarHBondContact NH2-OD1 3.27Å; R48-D50 IonicContact NH2-OD2 2.9Å; R48-F53 HydrophobicContact CB-CD1 4.05Å; R48-F53 HydrophobicContact CB-CE1 4.12Å; R48-F53 HydrophobicContact CB-CG 4.27Å; R48-F53 HydrophobicContact CB-CZ 4.42Å; R48-F53 HydrophobicContact CG-CB 3.93Å; R48-F53 HydrophobicContact CG-CD1 3.91Å; R48-F53 HydrophobicContact CG-CD2 4.04Å; R48-F53 HydrophobicContact CG-CE1 4.42Å; R48-F53 HydrophobicContact CG-CG 3.68Å; R48-F53 WeakPolarHBondContact O-CD1 3.46Å; R48-F53 VanDerWaalsContact O-CE1 3.23Å; R48-F53 WeakPolarHBondContact O-CE1 3.38Å; R48-F76 HydrophobicContact CB-CZ 4.3Å; R48-E149 IonicContact NH1-OE1 2.6Å
49T94.8Very high95.4Very high53 Ų5351.2 Ų51.233%0.32528%0.281SS..  trans-148.818.9-17458.80000113.5R35 I38 F46 I54R35-T49 PolarHBondContact NE-O 2.62Å; R35-T49 PolarHBondContact NH2-O 3.19Å; I38-T49 HydrophobicContact CD1-CG2 3.67Å; F46-T49 HydrophobicContact CB-CG2 4.12Å; T49-I54 VanDerWaalsContact O-CD1 3.26Å; T49-I54 WeakPolarHBondContact O-CD1 3.41Å
50D95.3Very high95.6Very high56 Ų5645.9 Ų45.930%0.29925%0.25SC..  trans-62160.7171.553.6106.3000112.1R48 D52 F53 I54R48-D50 WeakPolarHBondContact CD-OD2 3.37Å; R48-D50 WeakPolarHBondContact CG-OD2 3.46Å; R48-D50 IonicContact CZ-OD1 2.85Å; R48-D50 IonicContact CZ-OD2 3.72Å; R48-D50 IonicContact NE-OD1 3.42Å; R48-D50 PolarHBondContact NE-OD1 3.33Å; R48-D50 IonicContact NE-OD2 2.62Å; R48-D50 PolarHBondContact NE-OD2 2.88Å; R48-D50 IonicContact NH2-OD1 3.47Å; R48-D50 PolarHBondContact NH2-OD1 3.27Å; R48-D50 IonicContact NH2-OD2 2.9Å; D50-D52 PolarHBondContact O-N 2.65Å; D50-F53 PolarHBondContact O-N 3.41Å; D50-F53 WeakPolarHBondContact OD1-CB 3.38Å; D50-F53 PolarHBondContact OD1-N 2.86Å; D50-F53 WeakPolarHBondContact OD2-CB 3.22Å; D50-I54 PolarHBondContact O-N 3.45Å
51D96.2Very high95.8Very high37 Ų3743.6 Ų43.620%0.19823%0.23CC..Hα-helixtrans-55.9-49.9-174.8-73.5-2.3000111.3L4 I31 R35 F53 I54 L55L4-D51 HydrophobicContact CD2-CB 3.55Å; I31-D51 HydrophobicContact CD1-CB 3.97Å; R35-D51 IonicContact CZ-OD1 3.99Å; R35-D51 IonicContact NH1-OD1 3.72Å; R35-D51 PolarHBondContact NH1-OD1 3.09Å; R35-D51 VanDerWaalsContact NH2-N 3.18Å; R35-D51 IonicContact NH2-OD1 2.68Å; R35-D51 PolarHBondContact NH2-OD1 3.43Å; D51-F53 VanDerWaalsContact C-N 3.29Å; D51-F53 PolarHBondContact O-N 2.96Å; D51-I54 PolarHBondContact O-N 3.06Å; D51-L55 VanDerWaalsContact O-CB 3.28Å; D51-L55 WeakPolarHBondContact O-CB 3.49Å; D51-L55 PolarHBondContact O-N 3.25Å
52D94.4Very high95.9Very high86 Ų8645 Ų4546%0.4624%0.239SC..Hα-helixtrans-60.1-39.9-179.7-67.9-29.6000111.9D50 R56D50-D52 PolarHBondContact O-N 2.65Å; D52-R56 WeakPolarHBondContact O-CG 3.48Å; D52-R56 PolarHBondContact O-N 3.26Å
53F96.6Very high96Very high4 Ų440 Ų402%0.01821%0.205CC..Hα-helixtrans-66.3-48.8177.5-173.4-106.7000112.1R48 D50 D51 L55 R56 F57 L72 Y75 F76R48-F53 HydrophobicContact CB-CD1 4.05Å; R48-F53 HydrophobicContact CB-CE1 4.12Å; R48-F53 HydrophobicContact CB-CG 4.27Å; R48-F53 HydrophobicContact CB-CZ 4.42Å; R48-F53 HydrophobicContact CG-CB 3.93Å; R48-F53 HydrophobicContact CG-CD1 3.91Å; R48-F53 HydrophobicContact CG-CD2 4.04Å; R48-F53 HydrophobicContact CG-CE1 4.42Å; R48-F53 HydrophobicContact CG-CG 3.68Å; R48-F53 WeakPolarHBondContact O-CD1 3.46Å; R48-F53 VanDerWaalsContact O-CE1 3.23Å; R48-F53 WeakPolarHBondContact O-CE1 3.38Å; D50-F53 PolarHBondContact O-N 3.41Å; D50-F53 WeakPolarHBondContact OD1-CB 3.38Å; D50-F53 PolarHBondContact OD1-N 2.86Å; D50-F53 WeakPolarHBondContact OD2-CB 3.22Å; D51-F53 VanDerWaalsContact C-N 3.29Å; D51-F53 PolarHBondContact O-N 2.96Å; F53-L55 VanDerWaalsContact C-N 3.27Å; F53-L55 PolarHBondContact O-N 3.18Å; F53-R56 WeakPolarHBondContact O-CB 3.25Å; F53-R56 PolarHBondContact O-N 2.9Å; F53-F57 HydrophobicContact CD1-CE2 4.07Å; F53-F57 HydrophobicContact CD2-CE2 4.41Å; F53-F57 AromaticContact CE1-CE2 3.61Å; F53-F57 HydrophobicContact CE1-CE2 3.61Å; F53-F57 HydrophobicContact CE1-CZ 4.15Å; F53-F57 AromaticContact CE2-CE2 3.98Å; F53-F57 HydrophobicContact CE2-CE2 3.98Å; F53-F57 HydrophobicContact CE2-CZ 4.47Å; F53-F57 HydrophobicContact CG-CE2 4.46Å; F53-F57 AromaticContact CZ-CE2 3.56Å; F53-F57 HydrophobicContact CZ-CE2 3.56Å; F53-F57 AromaticContact CZ-CZ 3.85Å; F53-F57 HydrophobicContact CZ-CZ 3.85Å; F53-F57 VanDerWaalsContact O-CD2 3.22Å; F53-F57 WeakPolarHBondContact O-CD2 3.47Å; F53-L72 HydrophobicContact CD1-CD1 4.37Å; F53-L72 HydrophobicContact CE1-CD1 3.69Å; F53-L72 HydrophobicContact CZ-CD1 4.49Å; F53-Y75 HydrophobicContact CE2-CE1 4.44Å; F53-Y75 HydrophobicContact CZ-CD1 4.26Å; F53-Y75 AromaticContact CZ-CE1 3.68Å; F53-Y75 HydrophobicContact CZ-CE1 3.68Å; F53-Y75 AromaticContact CZ-CZ 3.83Å; F53-F76 AromaticContact CE1-CE2 3.82Å; F53-F76 HydrophobicContact CE1-CE2 3.82Å; F53-F76 AromaticContact CE1-CZ 3.71Å; F53-F76 HydrophobicContact CE1-CZ 3.71Å; F53-F76 HydrophobicContact CZ-CE2 4.28Å; F53-F76 AromaticContact CZ-CZ 3.94Å; F53-F76 HydrophobicContact CZ-CZ 3.94Å
54I98.1Very high96.2Very high0 Ų039 Ų390%020%0.2CC..Hα-helixtrans-62.9-37178.7-68.7175.6000110.9I31 V34 R35 T49 D50 D51 R56 F57 L58I31-I54 HydrophobicContact CB-CG2 4.43Å; I31-I54 HydrophobicContact CG1-CG2 4.26Å; I31-I54 HydrophobicContact CG2-CB 4.23Å; I31-I54 HydrophobicContact CG2-CD1 4Å; I31-I54 HydrophobicContact CG2-CG2 4.08Å; V34-I54 HydrophobicContact CB-CG2 4.01Å; V34-I54 HydrophobicContact CG1-CG2 3.97Å; V34-I54 HydrophobicContact CG2-CG2 4.39Å; R35-I54 HydrophobicContact CG-CD1 3.57Å; T49-I54 VanDerWaalsContact O-CD1 3.26Å; T49-I54 WeakPolarHBondContact O-CD1 3.41Å; D50-I54 PolarHBondContact O-N 3.45Å; D51-I54 PolarHBondContact O-N 3.06Å; I54-R56 PolarHBondContact O-N 2.98Å; I54-F57 WeakPolarHBondContact O-CB 3.5Å; I54-F57 PolarHBondContact O-N 2.8Å; I54-L58 HydrophobicContact CG2-CD1 4.11Å; I54-L58 HydrophobicContact CG2-CG 4.34Å; I54-L58 PolarHBondContact O-N 3.23Å; I54-L58 VanDerWaalsContact O-N 3.08Å
55L97.4Very high96.4Very high1 Ų140.8 Ų40.81%0.00521%0.208CC..Hα-helixtrans-60.6-32.5-179.1-168.558.6000112.8L4 L27 D51 F53 F57 L58 R59 F63L4-L55 HydrophobicContact CB-CD2 4.19Å; L27-L55 HydrophobicContact CD2-CD1 4.02Å; D51-L55 VanDerWaalsContact O-CB 3.28Å; D51-L55 WeakPolarHBondContact O-CB 3.49Å; D51-L55 PolarHBondContact O-N 3.25Å; F53-L55 VanDerWaalsContact C-N 3.27Å; F53-L55 PolarHBondContact O-N 3.18Å; L55-F57 PolarHBondContact O-N 3.44Å; L55-L58 HydrophobicContact CD1-CB 4.42Å; L55-L58 HydrophobicContact CD1-CD1 4.26Å; L55-L58 PolarHBondContact O-N 3.44Å; L55-R59 WeakPolarHBondContact O-CB 3.32Å; L55-R59 WeakPolarHBondContact O-CG 3.19Å; L55-R59 PolarHBondContact O-N 3.23Å; L55-F63 HydrophobicContact CD1-CE1 4.17Å; L55-F63 HydrophobicContact CD1-CZ 3.8Å
56R97.9Very high96.7Very high9 Ų942.3 Ų42.33%0.03422%0.217CC..Hα-helixtrans-53.5-44.8171.5-61.2165-169.8-160.8-2.9111D52 F53 I54 A60 E145 E149 Q154 P192D52-R56 WeakPolarHBondContact O-CG 3.48Å; D52-R56 PolarHBondContact O-N 3.26Å; F53-R56 WeakPolarHBondContact O-CB 3.25Å; F53-R56 PolarHBondContact O-N 2.9Å; I54-R56 PolarHBondContact O-N 2.98Å; R56-A60 WeakPolarHBondContact O-CB 3.39Å; R56-A60 PolarHBondContact O-N 3.08Å; R56-E145 IonicContact NH1-OE2 3.6Å; R56-E149 IonicContact NH2-OE1 3.76Å; R56-E149 PolarHBondContact NH2-OE1 2.93Å; R56-E149 VanDerWaalsContact NH2-OE1 3.08Å; R56-Q154 HydrophobicContact CG-CG 4.33Å; R56-P192 HydrophobicContact CB-CB 4.27Å; R56-P192 HydrophobicContact CB-CG 4.17Å
57F98.6Very high96.9Very high0 Ų044.2 Ų44.20%023%0.226CC..Hα-helixtrans-75.7-40.5-177.4-63.5-99.1000112F53 I54 L55 R59 A60 R61 T68 L71 L72 Y75 P192F53-F57 HydrophobicContact CD1-CE2 4.07Å; F53-F57 HydrophobicContact CD2-CE2 4.41Å; F53-F57 AromaticContact CE1-CE2 3.61Å; F53-F57 HydrophobicContact CE1-CE2 3.61Å; F53-F57 HydrophobicContact CE1-CZ 4.15Å; F53-F57 AromaticContact CE2-CE2 3.98Å; F53-F57 HydrophobicContact CE2-CE2 3.98Å; F53-F57 HydrophobicContact CE2-CZ 4.47Å; F53-F57 HydrophobicContact CG-CE2 4.46Å; F53-F57 AromaticContact CZ-CE2 3.56Å; F53-F57 HydrophobicContact CZ-CE2 3.56Å; F53-F57 AromaticContact CZ-CZ 3.85Å; F53-F57 HydrophobicContact CZ-CZ 3.85Å; F53-F57 VanDerWaalsContact O-CD2 3.22Å; F53-F57 WeakPolarHBondContact O-CD2 3.47Å; I54-F57 WeakPolarHBondContact O-CB 3.5Å; I54-F57 PolarHBondContact O-N 2.8Å; L55-F57 PolarHBondContact O-N 3.44Å; F57-R59 PolarHBondContact O-N 3.05Å; F57-A60 PolarHBondContact O-N 3.31Å; F57-R61 PolarHBondContact O-N 2.96Å; F57-T68 HydrophobicContact CB-CG2 3.64Å; F57-L71 HydrophobicContact CD1-CB 4.15Å; F57-L71 HydrophobicContact CD1-CD2 3.8Å; F57-L71 HydrophobicContact CD1-CG 3.66Å; F57-L71 HydrophobicContact CE1-CD2 4.44Å; F57-L71 HydrophobicContact CE1-CG 4.05Å; F57-L72 HydrophobicContact CD1-CB 3.94Å; F57-L72 HydrophobicContact CD1-CD1 4.12Å; F57-L72 HydrophobicContact CD2-CD1 3.85Å; F57-L72 HydrophobicContact CE1-CB 4.25Å; F57-L72 HydrophobicContact CE1-CD1 3.91Å; F57-L72 HydrophobicContact CE2-CD1 3.61Å; F57-L72 HydrophobicContact CG-CB 4.27Å; F57-L72 HydrophobicContact CG-CD1 4.12Å; F57-L72 HydrophobicContact CZ-CD1 3.64Å; F57-Y75 AromaticContact CE1-CD2 3.97Å; F57-Y75 HydrophobicContact CE1-CD2 3.97Å; F57-Y75 AromaticContact CE1-CG 3.93Å; F57-Y75 HydrophobicContact CE1-CG 3.93Å; F57-Y75 HydrophobicContact CZ-CD1 4.18Å; F57-Y75 AromaticContact CZ-CD2 3.63Å; F57-Y75 HydrophobicContact CZ-CD2 3.63Å; F57-Y75 HydrophobicContact CZ-CE2 4.11Å; F57-Y75 AromaticContact CZ-CG 3.69Å; F57-Y75 HydrophobicContact CZ-CG 3.69Å; F57-P192 HydrophobicContact CD1-CB 4Å; F57-P192 HydrophobicContact CD1-CG 4.37Å; F57-P192 HydrophobicContact CD2-CB 4.47Å; F57-P192 HydrophobicContact CD2-CG 4.45Å; F57-P192 HydrophobicContact CE1-CB 4.08Å; F57-P192 HydrophobicContact CE1-CG 3.98Å; F57-P192 HydrophobicContact CE2-CG 4.08Å; F57-P192 HydrophobicContact CG-CB 4.18Å; F57-P192 HydrophobicContact CZ-CB 4.35Å; F57-P192 HydrophobicContact CZ-CG 3.83Å
58L98.6Very high97.3Very high0 Ų036.5 Ų36.50%019%0.186CC..Hα-helixtrans-57.1-50.3174.5-77.8168.5000110.6D30 I31 V34 I54 L55 A60 R61 K62 F63 Q65 T68D30-L58 HydrophobicContact CB-CD1 4.13Å; D30-L58 HydrophobicContact CB-CD2 4.33Å; I31-L58 HydrophobicContact CG1-CD1 3.64Å; V34-L58 HydrophobicContact CG2-CD2 4.02Å; I54-L58 HydrophobicContact CG2-CD1 4.11Å; I54-L58 HydrophobicContact CG2-CG 4.34Å; I54-L58 PolarHBondContact O-N 3.23Å; I54-L58 VanDerWaalsContact O-N 3.08Å; L55-L58 HydrophobicContact CD1-CB 4.42Å; L55-L58 HydrophobicContact CD1-CD1 4.26Å; L55-L58 PolarHBondContact O-N 3.44Å; L58-A60 VanDerWaalsContact C-N 3.35Å; L58-A60 PolarHBondContact O-N 3.4Å; L58-R61 CarbonylContact O-C 3.48Å; L58-R61 PolarHBondContact O-N 3.22Å; L58-R61 VanDerWaalsContact O-N 3.09Å; L58-K62 PolarHBondContact O-N 3.18Å; L58-F63 HydrophobicContact CB-CD1 4.19Å; L58-F63 HydrophobicContact CB-CE1 4.04Å; L58-F63 HydrophobicContact CB-CE2 4.47Å; L58-F63 HydrophobicContact CB-CG 4.45Å; L58-F63 HydrophobicContact CB-CZ 4.2Å; L58-F63 HydrophobicContact CD1-CD1 4.48Å; L58-F63 HydrophobicContact CD1-CE1 4.19Å; L58-F63 HydrophobicContact CD2-CD1 4.28Å; L58-F63 PolarHBondContact O-N 2.78Å; L58-Q65 HydrophobicContact CD2-CG 4.33Å; L58-T68 HydrophobicContact CD2-CG2 3.88Å; L58-T68 HydrophobicContact CG-CG2 3.92Å
59R98.2Very high97.5Very high3 Ų333.7 Ų33.71%0.01118%0.176CC..Hα-helixtrans-60-43.2176-74172.6171.4153.44.6111.9L4 L20 E22 L55 F57 R61 K62 F63 Q154L4-R59 PolarHBondContact O-NH2 3.35Å; L20-R59 HydrophobicContact CD1-CB 4.03Å; L20-R59 HydrophobicContact CD1-CG 4.17Å; E22-R59 IonicContact OE1-CZ 2.99Å; E22-R59 IonicContact OE1-NE 2.75Å; E22-R59 IonicContact OE1-NH2 3.41Å; E22-R59 PolarHBondContact OE1-NH2 3.23Å; E22-R59 WeakPolarHBondContact OE2-CG 3.29Å; E22-R59 IonicContact OE2-CZ 3.71Å; E22-R59 IonicContact OE2-NE 3.69Å; E22-R59 PolarHBondContact OE2-NE 3.32Å; E22-R59 IonicContact OE2-NH2 3.82Å; E22-R59 PolarHBondContact OE2-NH2 3.5Å; L55-R59 WeakPolarHBondContact O-CB 3.32Å; L55-R59 WeakPolarHBondContact O-CG 3.19Å; L55-R59 PolarHBondContact O-N 3.23Å; F57-R59 PolarHBondContact O-N 3.05Å; R59-R61 PolarHBondContact O-N 2.95Å; R59-K62 PolarHBondContact O-N 3.5Å; R59-F63 HydrophobicContact CG-CE2 3.95Å; R59-F63 HydrophobicContact CG-CZ 4.3Å; R59-Q154 HydrophobicContact CB-CB 4.45Å
60A98Very high97.7Very high7 Ų735.7 Ų35.76%0.05818%0.178CC..Hα-helixtrans-63.5-21.717700000114.1R56 F57 L58 L71 P192R56-A60 WeakPolarHBondContact O-CB 3.39Å; R56-A60 PolarHBondContact O-N 3.08Å; F57-A60 PolarHBondContact O-N 3.31Å; L58-A60 VanDerWaalsContact C-N 3.35Å; L58-A60 PolarHBondContact O-N 3.4Å; A60-L71 HydrophobicContact CB-CD2 3.98Å; A60-P192 HydrophobicContact CB-CB 3.93Å; A60-P192 WeakPolarHBondContact CB-O 3.34Å
61R98.2Very high97.9Very high48 Ų4833 Ų3318%0.18116%0.164CC..THydrogen-bonded Turntrans-118.920.4-178.9-64.2-63.5178.6-95.42.5113.7F57 L58 R59 F63 N64 E67 T68 L71F57-R61 PolarHBondContact O-N 2.96Å; L58-R61 CarbonylContact O-C 3.48Å; L58-R61 PolarHBondContact O-N 3.22Å; L58-R61 VanDerWaalsContact O-N 3.09Å; R59-R61 PolarHBondContact O-N 2.95Å; R61-F63 PolarHBondContact O-N 3.13Å; R61-N64 WeakPolarHBondContact O-CB 3.41Å; R61-N64 PolarHBondContact O-N 3.3Å; R61-E67 HydrophobicContact CB-CB 4.18Å; R61-E67 HydrophobicContact CG-CB 4.21Å; R61-T68 WeakPolarHBondContact CB-OG1 3.48Å; R61-L71 HydrophobicContact CG-CB 4.35Å; R61-L71 HydrophobicContact CG-CD2 4.12Å
62K97.8Very high98Very high102 Ų10231.3 Ų31.344%0.44315%0.154SC..THydrogen-bonded Turntrans52.642.2174.5-53.6-173.5171-1580112.8E19 L20 N21 L58 R59 N64E19-K62 WeakPolarHBondContact O-CD 3.36Å; E19-K62 WeakPolarHBondContact O-CE 3.27Å; E19-K62 PolarHBondContact O-NZ 3.48Å; L20-K62 HydrophobicContact CD2-CG 4.2Å; L20-K62 CarbonylContact O-C 2.92Å; L20-K62 WeakPolarHBondContact O-CA 3.44Å; L20-K62 VanDerWaalsContact O-O 3.07Å; N21-K62 PolarHBondContact ND2-O 3.28Å; L58-K62 PolarHBondContact O-N 3.18Å; R59-K62 PolarHBondContact O-N 3.5Å; K62-N64 PolarHBondContact O-N 3.33Å; K62-N64 VanDerWaalsContact O-N 3.08Å
63F98.1Very high98.2Very high14 Ų1427.4 Ų27.46%0.06113%0.134CC..THydrogen-bonded Turntrans58.221.8-179.8-72.7-102.6000114.2L20 E22 L27 D30 L55 L58 R59 R61 Q65L20-F63 HydrophobicContact CB-CD2 4.38Å; L20-F63 VanDerWaalsContact O-CD2 3.29Å; L20-F63 WeakPolarHBondContact O-CD2 3.2Å; E22-F63 HydrophobicContact CB-CD2 4.08Å; E22-F63 HydrophobicContact CB-CE2 3.41Å; E22-F63 VanDerWaalsContact CB-CE2 3.41Å; E22-F63 HydrophobicContact CB-CZ 3.74Å; E22-F63 HydrophobicContact CG-CE1 4.25Å; E22-F63 HydrophobicContact CG-CE2 3.66Å; E22-F63 HydrophobicContact CG-CZ 3.41Å; E22-F63 VanDerWaalsContact CG-CZ 3.41Å; L27-F63 HydrophobicContact CD2-CE1 3.54Å; L27-F63 HydrophobicContact CD2-CZ 3.78Å; D30-F63 HydrophobicContact CB-CD1 4.27Å; L55-F63 HydrophobicContact CD1-CE1 4.17Å; L55-F63 HydrophobicContact CD1-CZ 3.8Å; L58-F63 HydrophobicContact CB-CD1 4.19Å; L58-F63 HydrophobicContact CB-CE1 4.04Å; L58-F63 HydrophobicContact CB-CE2 4.47Å; L58-F63 HydrophobicContact CB-CG 4.45Å; L58-F63 HydrophobicContact CB-CZ 4.2Å; L58-F63 HydrophobicContact CD1-CD1 4.48Å; L58-F63 HydrophobicContact CD1-CE1 4.19Å; L58-F63 HydrophobicContact CD2-CD1 4.28Å; L58-F63 PolarHBondContact O-N 2.78Å; R59-F63 HydrophobicContact CG-CE2 3.95Å; R59-F63 HydrophobicContact CG-CZ 4.3Å; R61-F63 PolarHBondContact O-N 3.13Å; F63-Q65 VanDerWaalsContact O-CD 3.24Å; F63-Q65 PolarHBondContact O-N 3.25Å; F63-Q65 PolarHBondContact O-NE2 3.39Å; F63-Q65 PolarHBondContact O-OE1 3Å
64N98.4Very high98.2Very high78 Ų7829.8 Ų29.842%0.41715%0.145SC..  trans-80.8109.4164.8-176.5-66.1000109.1R61 K62 A66 E67 T68R61-N64 WeakPolarHBondContact O-CB 3.41Å; R61-N64 PolarHBondContact O-N 3.3Å; K62-N64 PolarHBondContact O-N 3.33Å; K62-N64 VanDerWaalsContact O-N 3.08Å; N64-A66 PolarHBondContact OD1-N 2.89Å; N64-E67 HydrophobicContact CB-CB 4.2Å; N64-E67 PolarHBondContact O-N 3.17Å; N64-E67 WeakPolarHBondContact OD1-CB 3.33Å; N64-E67 PolarHBondContact OD1-N 3.35Å; N64-T68 VanDerWaalsContact O-CB 3.25Å; N64-T68 WeakPolarHBondContact O-CB 3.44Å; N64-T68 PolarHBondContact O-N 3.17Å; N64-T68 PolarHBondContact O-OG1 2.91Å
65Q98.3Very high98.3Very high45 Ų4530.5 Ų30.521%0.2115%0.148CC..Hα-helixtrans-70.4-37.5-168.8-57.686.5-11.800112D30 Q33 V34 M37 L58 F63 T68 F69D30-Q65 PolarHBondContact OD1-NE2 3.45Å; Q33-Q65 HydrophobicContact CB-CG 4.5Å; Q33-Q65 HydrophobicContact CG-CB 4.33Å; Q33-Q65 HydrophobicContact CG-CG 4.48Å; Q33-Q65 VanDerWaalsContact OE1-CB 3.23Å; V34-Q65 HydrophobicContact CG2-CB 4.22Å; M37-Q65 HydrophobicContact CE-CB 3.85Å; M37-Q65 VanDerWaalsContact CE-O 3.29Å; M37-Q65 WeakPolarHBondContact CE-O 3.41Å; L58-Q65 HydrophobicContact CD2-CG 4.33Å; F63-Q65 VanDerWaalsContact O-CD 3.24Å; F63-Q65 PolarHBondContact O-N 3.25Å; F63-Q65 PolarHBondContact O-NE2 3.39Å; F63-Q65 PolarHBondContact O-OE1 3Å; Q65-T68 WeakPolarHBondContact O-CB 3.44Å; Q65-T68 PolarHBondContact O-N 3.07Å; Q65-F69 WeakPolarHBondContact O-CB 3.36Å; Q65-F69 PolarHBondContact O-N 3.3Å
66A98.3Very high98.3Very high61 Ų6130.9 Ų30.950%0.50415%0.15SC..Hα-helixtrans-63.8-46.7176.500000111.8N64 T68 F69 R70N64-A66 PolarHBondContact OD1-N 2.89Å; A66-T68 VanDerWaalsContact C-N 3.32Å; A66-T68 PolarHBondContact O-N 3.4Å; A66-F69 PolarHBondContact O-N 2.89Å; A66-R70 PolarHBondContact O-N 3.34Å
67E98.3Very high98.2Very high76 Ų7632.4 Ų32.436%0.35516%0.157SC..Hα-helixtrans-68.7-32.3175.9-75.3-60.5121.600112.6R61 N64 R70 L71R61-E67 HydrophobicContact CB-CB 4.18Å; R61-E67 HydrophobicContact CG-CB 4.21Å; N64-E67 HydrophobicContact CB-CB 4.2Å; N64-E67 PolarHBondContact O-N 3.17Å; N64-E67 WeakPolarHBondContact OD1-CB 3.33Å; N64-E67 PolarHBondContact OD1-N 3.35Å; E67-R70 PolarHBondContact O-N 3.27Å; E67-R70 IonicContact OE1-NE 3.56Å; E67-R70 PolarHBondContact OE1-NE 3.05Å; E67-R70 IonicContact OE2-CZ 3.47Å; E67-R70 VanDerWaalsContact OE2-CZ 3.31Å; E67-R70 IonicContact OE2-NE 3.59Å; E67-R70 PolarHBondContact OE2-NE 3.06Å; E67-R70 IonicContact OE2-NH2 2.68Å; E67-R70 PolarHBondContact OE2-NH2 2.93Å; E67-L71 PolarHBondContact O-N 3.01Å
68T98.6Very high98.1Very high0 Ų032.5 Ų32.50%016%0.158CC..Hα-helixtrans-60.5-52.3172.5-64.40000110.4V34 F57 L58 R61 N64 Q65 A66 R70 L71 L72V34-T68 HydrophobicContact CG1-CG2 4.2Å; V34-T68 HydrophobicContact CG2-CG2 3.73Å; F57-T68 HydrophobicContact CB-CG2 3.64Å; L58-T68 HydrophobicContact CD2-CG2 3.88Å; L58-T68 HydrophobicContact CG-CG2 3.92Å; R61-T68 WeakPolarHBondContact CB-OG1 3.48Å; N64-T68 VanDerWaalsContact O-CB 3.25Å; N64-T68 WeakPolarHBondContact O-CB 3.44Å; N64-T68 PolarHBondContact O-N 3.17Å; N64-T68 PolarHBondContact O-OG1 2.91Å; Q65-T68 WeakPolarHBondContact O-CB 3.44Å; Q65-T68 PolarHBondContact O-N 3.07Å; A66-T68 VanDerWaalsContact C-N 3.32Å; A66-T68 PolarHBondContact O-N 3.4Å; T68-R70 VanDerWaalsContact C-N 3.32Å; T68-R70 PolarHBondContact O-N 3.08Å; T68-L71 PolarHBondContact O-N 3.19Å; T68-L72 WeakPolarHBondContact O-CB 3.46Å; T68-L72 PolarHBondContact O-N 3.2Å
69F98.6Very high98Very high27 Ų2734.1 Ų34.112%0.11816%0.164CC..Hα-helixtrans-60.3-42.7177.2174.4-115000111.6M37 I38 R41 F46 Q65 A66 L71 L72 A73M37-F69 HydrophobicContact CB-CB 4.19Å; M37-F69 HydrophobicContact CB-CD1 3.93Å; M37-F69 HydrophobicContact CB-CD2 3.68Å; M37-F69 HydrophobicContact CB-CE1 4.19Å; M37-F69 HydrophobicContact CB-CE2 4Å; M37-F69 HydrophobicContact CB-CG 3.64Å; M37-F69 HydrophobicContact CB-CZ 4.22Å; M37-F69 HydrophobicContact CE-CB 3.79Å; M37-F69 HydrophobicContact CG-CG 4.46Å; M37-F69 WeakPolarHBondContact O-CE2 3.22Å; M37-F69 VanDerWaalsContact O-CZ 3.26Å; M37-F69 WeakPolarHBondContact O-CZ 3.28Å; M37-F69 HydrophobicContact SD-CB 3.85Å; M37-F69 HydrophobicContact SD-CD1 4.17Å; M37-F69 HydrophobicContact SD-CG 4.1Å; I38-F69 HydrophobicContact CG1-CD2 4.29Å; I38-F69 HydrophobicContact CG1-CE2 4.14Å; R41-F69 HydrophobicContact CB-CZ 4.17Å; R41-F69 HydrophobicContact CG-CE1 4.23Å; R41-F69 HydrophobicContact CG-CZ 3.66Å; F46-F69 HydrophobicContact CE1-CE2 4.5Å; F46-F69 AromaticContact CZ-CE2 3.98Å; F46-F69 HydrophobicContact CZ-CE2 3.98Å; Q65-F69 WeakPolarHBondContact O-CB 3.36Å; Q65-F69 PolarHBondContact O-N 3.3Å; A66-F69 PolarHBondContact O-N 2.89Å; F69-L71 VanDerWaalsContact C-N 3.33Å; F69-L71 PolarHBondContact O-N 3.47Å; F69-L72 PolarHBondContact O-N 2.8Å; F69-A73 WeakPolarHBondContact O-CB 3.34Å; F69-A73 PolarHBondContact O-N 3.18Å
70R98.3Very high97.8Very high96 Ų9637.9 Ų37.936%0.36218%0.182SC..Hα-helixtrans-58.4-43.4176.1-166.3-175.564.466.45.7112.1A66 E67 T68 Q74A66-R70 PolarHBondContact O-N 3.34Å; E67-R70 PolarHBondContact O-N 3.27Å; E67-R70 IonicContact OE1-NE 3.56Å; E67-R70 PolarHBondContact OE1-NE 3.05Å; E67-R70 IonicContact OE2-CZ 3.47Å; E67-R70 VanDerWaalsContact OE2-CZ 3.31Å; E67-R70 IonicContact OE2-NE 3.59Å; E67-R70 PolarHBondContact OE2-NE 3.06Å; E67-R70 IonicContact OE2-NH2 2.68Å; E67-R70 PolarHBondContact OE2-NH2 2.93Å; T68-R70 VanDerWaalsContact C-N 3.32Å; T68-R70 PolarHBondContact O-N 3.08Å; R70-Q74 WeakPolarHBondContact O-CB 3.26Å; R70-Q74 PolarHBondContact O-N 3.26Å
71L98.6Very high97.6Very high0 Ų044 Ų440%021%0.209CC..Hα-helixtrans-67.2-42.6175.8-179.458.4000112.1F57 A60 R61 E67 T68 F69 Q74 Y75 D189 P192F57-L71 HydrophobicContact CD1-CB 4.15Å; F57-L71 HydrophobicContact CD1-CD2 3.8Å; F57-L71 HydrophobicContact CD1-CG 3.66Å; F57-L71 HydrophobicContact CE1-CD2 4.44Å; F57-L71 HydrophobicContact CE1-CG 4.05Å; A60-L71 HydrophobicContact CB-CD2 3.98Å; R61-L71 HydrophobicContact CG-CB 4.35Å; R61-L71 HydrophobicContact CG-CD2 4.12Å; E67-L71 PolarHBondContact O-N 3.01Å; T68-L71 PolarHBondContact O-N 3.19Å; F69-L71 VanDerWaalsContact C-N 3.33Å; F69-L71 PolarHBondContact O-N 3.47Å; L71-Q74 PolarHBondContact O-N 2.92Å; L71-Y75 WeakPolarHBondContact O-CB 3.41Å; L71-Y75 PolarHBondContact O-N 2.74Å; L71-D189 WeakPolarHBondContact CD1-O 3.35Å; L71-P192 HydrophobicContact CD2-CB 4.13Å
72L98.6Very high97.5Very high0 Ų042.7 Ų42.70%021%0.206CC..Hα-helixtrans-62.7-45178.9-178.663.1000111.7V34 I38 F46 F53 F57 T68 F69 Y75 F76V34-L72 HydrophobicContact CG1-CD2 3.9Å; I38-L72 HydrophobicContact CD1-CD2 3.63Å; I38-L72 HydrophobicContact CG1-CD2 4.04Å; F46-L72 HydrophobicContact CD1-CG 4.3Å; F46-L72 HydrophobicContact CE1-CD2 4.49Å; F46-L72 HydrophobicContact CE1-CG 4.12Å; F53-L72 HydrophobicContact CD1-CD1 4.37Å; F53-L72 HydrophobicContact CE1-CD1 3.69Å; F53-L72 HydrophobicContact CZ-CD1 4.49Å; F57-L72 HydrophobicContact CD1-CB 3.94Å; F57-L72 HydrophobicContact CD1-CD1 4.12Å; F57-L72 HydrophobicContact CD2-CD1 3.85Å; F57-L72 HydrophobicContact CE1-CB 4.25Å; F57-L72 HydrophobicContact CE1-CD1 3.91Å; F57-L72 HydrophobicContact CE2-CD1 3.61Å; F57-L72 HydrophobicContact CG-CB 4.27Å; F57-L72 HydrophobicContact CG-CD1 4.12Å; F57-L72 HydrophobicContact CZ-CD1 3.64Å; T68-L72 WeakPolarHBondContact O-CB 3.46Å; T68-L72 PolarHBondContact O-N 3.2Å; F69-L72 PolarHBondContact O-N 2.8Å; L72-Y75 WeakPolarHBondContact O-CB 3.48Å; L72-Y75 PolarHBondContact O-N 2.92Å; L72-F76 HydrophobicContact CD1-CD2 4.17Å; L72-F76 HydrophobicContact CD1-CE2 3.71Å; L72-F76 HydrophobicContact CG-CE2 4.39Å; L72-F76 WeakPolarHBondContact O-CD2 3.5Å; L72-F76 PolarHBondContact O-N 3.25Å
73A98.3Very high97.2Very high5 Ų543.5 Ų43.54%0.04121%0.214CC..Hα-helixtrans-59.6-48.6173.800000111I44 F46 F69 Y75 F76 Q77I44-A73 HydrophobicContact CD1-CB 3.61Å; F46-A73 HydrophobicContact CE1-CB 4.49Å; F46-A73 HydrophobicContact CZ-CB 4.34Å; F69-A73 WeakPolarHBondContact O-CB 3.34Å; F69-A73 PolarHBondContact O-N 3.18Å; A73-Y75 VanDerWaalsContact C-N 3.31Å; A73-Y75 PolarHBondContact O-N 3.39Å; A73-F76 PolarHBondContact O-N 3.07Å; A73-Q77 WeakPolarHBondContact O-CB 3.39Å; A73-Q77 VanDerWaalsContact O-CG 3.31Å; A73-Q77 WeakPolarHBondContact O-CG 3.49Å; A73-Q77 PolarHBondContact O-N 3.37Å
74Q98.2Very high96.8Very high53 Ų5347.9 Ų47.925%0.24824%0.238CC..Hα-helixtrans-61.1-38.5178.7-17263.450.600112.2R70 L71 F76 Q77 F78 D189R70-Q74 WeakPolarHBondContact O-CB 3.26Å; R70-Q74 PolarHBondContact O-N 3.26Å; L71-Q74 PolarHBondContact O-N 2.92Å; Q74-F76 PolarHBondContact O-N 2.64Å; Q74-Q77 PolarHBondContact O-N 3.25Å; Q74-F78 WeakPolarHBondContact O-CB 3.41Å; Q74-F78 PolarHBondContact O-N 2.77Å; Q74-D189 VanDerWaalsContact CG-O 3.27Å; Q74-D189 WeakPolarHBondContact CG-O 3.31Å
75Y98.3Very high96.4Very high16 Ų1644.1 Ų44.16%0.06322%0.218CC..Hα-helixtrans-57.1-46.3176.4171-78.1000112.3F53 F57 L71 L72 A73 R79 E145 S190F53-Y75 HydrophobicContact CE2-CE1 4.44Å; F53-Y75 HydrophobicContact CZ-CD1 4.26Å; F53-Y75 AromaticContact CZ-CE1 3.68Å; F53-Y75 HydrophobicContact CZ-CE1 3.68Å; F53-Y75 AromaticContact CZ-CZ 3.83Å; F57-Y75 AromaticContact CE1-CD2 3.97Å; F57-Y75 HydrophobicContact CE1-CD2 3.97Å; F57-Y75 AromaticContact CE1-CG 3.93Å; F57-Y75 HydrophobicContact CE1-CG 3.93Å; F57-Y75 HydrophobicContact CZ-CD1 4.18Å; F57-Y75 AromaticContact CZ-CD2 3.63Å; F57-Y75 HydrophobicContact CZ-CD2 3.63Å; F57-Y75 HydrophobicContact CZ-CE2 4.11Å; F57-Y75 AromaticContact CZ-CG 3.69Å; F57-Y75 HydrophobicContact CZ-CG 3.69Å; L71-Y75 WeakPolarHBondContact O-CB 3.41Å; L71-Y75 PolarHBondContact O-N 2.74Å; L72-Y75 WeakPolarHBondContact O-CB 3.48Å; L72-Y75 PolarHBondContact O-N 2.92Å; A73-Y75 VanDerWaalsContact C-N 3.31Å; A73-Y75 PolarHBondContact O-N 3.39Å; Y75-R79 VanDerWaalsContact CD1-NH1 3.32Å; Y75-R79 VanDerWaalsContact CE1-NH1 3.3Å; Y75-R79 PolarHBondContact O-NH1 3Å; Y75-R79 VanDerWaalsContact OH-CZ 3.27Å; Y75-R79 PolarHBondContact OH-NE 2.9Å; Y75-R79 PolarHBondContact OH-NH2 3.45Å; Y75-R79 VanDerWaalsContact OH-NH2 3.09Å; Y75-E145 WeakPolarHBondContact CE2-OE1 2.94Å; Y75-E145 PolarHBondContact OH-OE1 3Å; Y75-S190 VanDerWaalsContact CA-O 3.29Å; Y75-S190 WeakPolarHBondContact CA-O 3.47Å; Y75-S190 WeakPolarHBondContact CB-O 3.35Å; Y75-S190 WeakPolarHBondContact CD2-O 3.46Å
76F97.4Very high96.1Very high9 Ų943.4 Ų43.44%0.03921%0.214CC..Hα-helixtrans-77.6-40.4179.3-75.6-70.3000112.2I44 G45 F46 L47 R48 F53 L72 A73 Q74 F78 R79 Q80I44-F76 HydrophobicContact CG2-CB 3.57Å; G45-F76 WeakPolarHBondContact O-CD1 3.24Å; F46-F76 HydrophobicContact CB-CD2 4.4Å; F46-F76 HydrophobicContact CB-CE2 4.32Å; F46-F76 AromaticContact CD1-CD2 3.39Å; F46-F76 HydrophobicContact CD1-CD2 3.39Å; F46-F76 AromaticContact CD1-CE2 3.76Å; F46-F76 HydrophobicContact CD1-CE2 3.76Å; F46-F76 HydrophobicContact CD1-CG 4.27Å; F46-F76 HydrophobicContact CE1-CD2 4.03Å; F46-F76 HydrophobicContact CG-CD2 4.2Å; F46-F76 HydrophobicContact CG-CE2 4.49Å; L47-F76 HydrophobicContact CB-CE1 3.9Å; L47-F76 HydrophobicContact CG-CE1 4.39Å; L47-F76 VanDerWaalsContact N-CE1 3.32Å; R48-F76 HydrophobicContact CB-CZ 4.3Å; F53-F76 AromaticContact CE1-CE2 3.82Å; F53-F76 HydrophobicContact CE1-CE2 3.82Å; F53-F76 AromaticContact CE1-CZ 3.71Å; F53-F76 HydrophobicContact CE1-CZ 3.71Å; F53-F76 HydrophobicContact CZ-CE2 4.28Å; F53-F76 AromaticContact CZ-CZ 3.94Å; F53-F76 HydrophobicContact CZ-CZ 3.94Å; L72-F76 HydrophobicContact CD1-CD2 4.17Å; L72-F76 HydrophobicContact CD1-CE2 3.71Å; L72-F76 HydrophobicContact CG-CE2 4.39Å; L72-F76 WeakPolarHBondContact O-CD2 3.5Å; L72-F76 PolarHBondContact O-N 3.25Å; A73-F76 PolarHBondContact O-N 3.07Å; Q74-F76 PolarHBondContact O-N 2.64Å; F76-F78 VanDerWaalsContact C-N 3.33Å; F76-F78 PolarHBondContact O-N 3.44Å; F76-R79 WeakPolarHBondContact O-CB 3.43Å; F76-R79 PolarHBondContact O-N 3.49Å; F76-R79 VanDerWaalsContact O-N 3.12Å; F76-Q80 WeakPolarHBondContact O-CG 3.39Å; F76-Q80 PolarHBondContact O-N 2.91Å
77Q96.9Very high95.5Very high40 Ų4047.2 Ų47.219%0.18722%0.222CC..Hα-helixtrans-60.1-43.1176.6-73.9-178.6-5300112.1I44 A73 Q74 R79 Q80 Q81I44-Q77 HydrophobicContact CD1-CG 3.6Å; I44-Q77 HydrophobicContact CG1-CG 3.66Å; I44-Q77 HydrophobicContact CG2-CG 4.29Å; A73-Q77 WeakPolarHBondContact O-CB 3.39Å; A73-Q77 VanDerWaalsContact O-CG 3.31Å; A73-Q77 WeakPolarHBondContact O-CG 3.49Å; A73-Q77 PolarHBondContact O-N 3.37Å; Q74-Q77 PolarHBondContact O-N 3.25Å; Q77-R79 VanDerWaalsContact C-N 3.25Å; Q77-R79 PolarHBondContact O-N 3.32Å; Q77-Q80 PolarHBondContact O-N 3.02Å; Q77-Q80 VanDerWaalsContact O-N 3.15Å; Q77-Q81 WeakPolarHBondContact O-CB 3.35Å; Q77-Q81 VanDerWaalsContact O-CG 3.26Å; Q77-Q81 WeakPolarHBondContact O-CG 3.15Å; Q77-Q81 PolarHBondContact O-N 2.97Å
78F96.8Very high95Very high2 Ų247.2 Ų47.21%0.00923%0.23CC..Hα-helixtrans-58-40.1176.1-178.8-107.4000111.6Q74 F76 Q81 N82 M85 F86 Q182 E185 G186 S190Q74-F78 WeakPolarHBondContact O-CB 3.41Å; Q74-F78 PolarHBondContact O-N 2.77Å; F76-F78 VanDerWaalsContact C-N 3.33Å; F76-F78 PolarHBondContact O-N 3.44Å; F78-Q81 PolarHBondContact O-N 2.88Å; F78-N82 WeakPolarHBondContact CD2-ND2 3.29Å; F78-N82 WeakPolarHBondContact CE2-ND2 3.36Å; F78-N82 WeakPolarHBondContact O-CB 3.47Å; F78-N82 PolarHBondContact O-N 3.02Å; F78-N82 VanDerWaalsContact O-N 3.08Å; F78-N82 PolarHBondContact O-ND2 3.03Å; F78-M85 HydrophobicContact CD1-CE 4.38Å; F78-M85 HydrophobicContact CE1-CE 3.32Å; F78-M85 HydrophobicContact CZ-CE 3.5Å; F78-M85 VanDerWaalsContact CZ-CE 3.5Å; F78-F86 AromaticContact CD1-CE2 3.66Å; F78-F86 HydrophobicContact CD1-CE2 3.66Å; F78-F86 AromaticContact CD1-CZ 3.73Å; F78-F86 HydrophobicContact CD1-CZ 3.73Å; F78-F86 AromaticContact CE1-CE2 3.67Å; F78-F86 HydrophobicContact CE1-CE2 3.67Å; F78-F86 AromaticContact CE1-CZ 3.64Å; F78-F86 HydrophobicContact CE1-CZ 3.64Å; F78-Q182 HydrophobicContact CE2-CG 4.33Å; F78-Q182 HydrophobicContact CZ-CG 4.2Å; F78-E185 HydrophobicContact CD2-CB 4.36Å; F78-E185 HydrophobicContact CE2-CB 3.93Å; F78-G186 VanDerWaalsContact CE1-CA 3.48Å; F78-G186 VanDerWaalsContact CZ-CA 3.41Å; F78-S190 WeakPolarHBondContact CB-OG 3.49Å; F78-S190 WeakPolarHBondContact CG-OG 3.25Å
79R95.8Very high94.8Very high35 Ų3549.5 Ų49.513%0.13224%0.24CC..Hα-helixtrans-67-42.8175.1-72.5172.4175.866.33.5112.7Y75 F76 Q77 Q81 N82 L83 F86 E145Y75-R79 VanDerWaalsContact CD1-NH1 3.32Å; Y75-R79 VanDerWaalsContact CE1-NH1 3.3Å; Y75-R79 PolarHBondContact O-NH1 3Å; Y75-R79 VanDerWaalsContact OH-CZ 3.27Å; Y75-R79 PolarHBondContact OH-NE 2.9Å; Y75-R79 PolarHBondContact OH-NH2 3.45Å; Y75-R79 VanDerWaalsContact OH-NH2 3.09Å; F76-R79 WeakPolarHBondContact O-CB 3.43Å; F76-R79 PolarHBondContact O-N 3.49Å; F76-R79 VanDerWaalsContact O-N 3.12Å; Q77-R79 VanDerWaalsContact C-N 3.25Å; Q77-R79 PolarHBondContact O-N 3.32Å; R79-Q81 VanDerWaalsContact C-N 3.28Å; R79-Q81 PolarHBondContact O-N 3.4Å; R79-N82 CarbonylContact O-C 3.53Å; R79-N82 PolarHBondContact O-N 2.87Å; R79-L83 PolarHBondContact O-N 2.99Å; R79-F86 HydrophobicContact CB-CD2 3.98Å; R79-F86 HydrophobicContact CB-CE2 4.21Å; R79-F86 HydrophobicContact CB-CG 4.28Å; R79-F86 HydrophobicContact CG-CD1 3.91Å; R79-F86 HydrophobicContact CG-CD2 3.68Å; R79-F86 HydrophobicContact CG-CE1 3.85Å; R79-F86 HydrophobicContact CG-CE2 3.61Å; R79-F86 HydrophobicContact CG-CG 3.8Å; R79-F86 HydrophobicContact CG-CZ 3.68Å; R79-E145 IonicContact CZ-OE1 3.43Å; R79-E145 IonicContact NH2-OE1 2.78Å; R79-E145 PolarHBondContact NH2-OE1 2.95Å
80Q93.8Very high94.5Very high82 Ų8254.7 Ų54.738%0.38326%0.263SS..Hα-helixtrans-65.6-30.8177.4-68.5176.8-62.100112.7F76 Q77 L83F76-Q80 WeakPolarHBondContact O-CG 3.39Å; F76-Q80 PolarHBondContact O-N 2.91Å; Q77-Q80 PolarHBondContact O-N 3.02Å; Q77-Q80 VanDerWaalsContact O-N 3.15Å; Q80-L83 WeakPolarHBondContact O-CG 3.25Å
81Q94.8Very high94.2Very high134 Ų13452 Ų5263%0.62626%0.256SS*.Hα-helixtrans-84.9-21.7-179.9-70.7169.7-9.900113.3Q77 F78 R79Q77-Q81 WeakPolarHBondContact O-CB 3.35Å; Q77-Q81 VanDerWaalsContact O-CG 3.26Å; Q77-Q81 WeakPolarHBondContact O-CG 3.15Å; Q77-Q81 PolarHBondContact O-N 2.97Å; F78-Q81 PolarHBondContact O-N 2.88Å; R79-Q81 VanDerWaalsContact C-N 3.28Å; R79-Q81 PolarHBondContact O-N 3.4Å
82N94.9Very high93.7Very high22 Ų2257.1 Ų57.112%0.11828%0.284CS..  trans-121.749.6-177.2-59.4-91.5000110.6F78 R79 D84 M85 F86F78-N82 WeakPolarHBondContact CD2-ND2 3.29Å; F78-N82 WeakPolarHBondContact CE2-ND2 3.36Å; F78-N82 WeakPolarHBondContact O-CB 3.47Å; F78-N82 PolarHBondContact O-N 3.02Å; F78-N82 VanDerWaalsContact O-N 3.08Å; F78-N82 PolarHBondContact O-ND2 3.03Å; R79-N82 CarbonylContact O-C 3.53Å; R79-N82 PolarHBondContact O-N 2.87Å; N82-D84 VanDerWaalsContact C-OD1 3.25Å; N82-D84 PolarHBondContact O-N 3.24Å; N82-M85 HydrophobicContact CB-CB 4.26Å; N82-M85 HydrophobicContact CB-CE 4.23Å; N82-M85 WeakPolarHBondContact O-CB 3.09Å; N82-M85 PolarHBondContact O-N 3.18Å; N82-F86 HydrophobicContact CB-CD2 4.34Å; N82-F86 HydrophobicContact CB-CE2 4.3Å; N82-F86 VanDerWaalsContact O-CD2 3.32Å; N82-F86 WeakPolarHBondContact O-CD2 3.43Å; N82-F86 PolarHBondContact O-N 2.95Å
83L92.1Very high93.5Very high118 Ų11858.2 Ų58.262%0.61829%0.29SS*.Hα-helixtrans-57.8-32.8-175-71.1174.3000113R79 Q80 M85 F86 Q87R79-L83 PolarHBondContact O-N 2.99Å; Q80-L83 WeakPolarHBondContact O-CG 3.25Å; L83-M85 PolarHBondContact O-N 3.02Å; L83-F86 CarbonylContact O-C 3.59Å; L83-F86 PolarHBondContact O-N 2.9Å; L83-Q87 VanDerWaalsContact O-CB 3.31Å; L83-Q87 WeakPolarHBondContact O-CB 3.24Å; L83-Q87 PolarHBondContact O-N 3.21Å
84D89Confident93.3Very high106 Ų10662.3 Ų62.357%0.56732%0.316SS*.Hα-helixtrans-58.6-35.3174.362.7-52.2000112.4N82N82-D84 VanDerWaalsContact C-OD1 3.25Å; N82-D84 PolarHBondContact O-N 3.24Å
85M91.3Very high93.1Very high0 Ų060.2 Ų60.20%031%0.308CS..Hα-helixtrans-78.3-30178-166.8169.963.300112.6F78 N82 L83 T134 L137 R138 L141 Q182F78-M85 HydrophobicContact CD1-CE 4.38Å; F78-M85 HydrophobicContact CE1-CE 3.32Å; F78-M85 HydrophobicContact CZ-CE 3.5Å; F78-M85 VanDerWaalsContact CZ-CE 3.5Å; N82-M85 HydrophobicContact CB-CB 4.26Å; N82-M85 HydrophobicContact CB-CE 4.23Å; N82-M85 WeakPolarHBondContact O-CB 3.09Å; N82-M85 PolarHBondContact O-N 3.18Å; L83-M85 PolarHBondContact O-N 3.02Å; M85-T134 HydrophobicContact CB-CG2 4.48Å; M85-T134 HydrophobicContact CG-CG2 4.1Å; M85-L137 HydrophobicContact SD-CD2 3.64Å; M85-L137 HydrophobicContact SD-CG 4Å; M85-R138 HydrophobicContact CB-CG 4.48Å; M85-R138 HydrophobicContact CG-CG 3.43Å; M85-R138 VanDerWaalsContact CG-CG 3.43Å; M85-R138 VanDerWaalsContact O-CD 3.31Å; M85-R138 WeakPolarHBondContact O-CD 3.47Å; M85-R138 VanDerWaalsContact O-CG 3.28Å; M85-R138 WeakPolarHBondContact O-CG 3.33Å; M85-R138 PolarHBondContact O-NE 2.87Å; M85-L141 HydrophobicContact CE-CD1 3.89Å; M85-L141 HydrophobicContact SD-CD1 4.26Å; M85-Q182 PolarHBondContact SD-NE2 3.06Å
86F92.3Very high93Very high30 Ų3059.4 Ų59.413%0.13231%0.306CS..Hα-helixtrans-107.2-1-174.3-64.8-77000114.4F78 R79 N82 L83 F89 L141F78-F86 AromaticContact CD1-CE2 3.66Å; F78-F86 HydrophobicContact CD1-CE2 3.66Å; F78-F86 AromaticContact CD1-CZ 3.73Å; F78-F86 HydrophobicContact CD1-CZ 3.73Å; F78-F86 AromaticContact CE1-CE2 3.67Å; F78-F86 HydrophobicContact CE1-CE2 3.67Å; F78-F86 AromaticContact CE1-CZ 3.64Å; F78-F86 HydrophobicContact CE1-CZ 3.64Å; R79-F86 HydrophobicContact CB-CD2 3.98Å; R79-F86 HydrophobicContact CB-CE2 4.21Å; R79-F86 HydrophobicContact CB-CG 4.28Å; R79-F86 HydrophobicContact CG-CD1 3.91Å; R79-F86 HydrophobicContact CG-CD2 3.68Å; R79-F86 HydrophobicContact CG-CE1 3.85Å; R79-F86 HydrophobicContact CG-CE2 3.61Å; R79-F86 HydrophobicContact CG-CG 3.8Å; R79-F86 HydrophobicContact CG-CZ 3.68Å; N82-F86 HydrophobicContact CB-CD2 4.34Å; N82-F86 HydrophobicContact CB-CE2 4.3Å; N82-F86 VanDerWaalsContact O-CD2 3.32Å; N82-F86 WeakPolarHBondContact O-CD2 3.43Å; N82-F86 PolarHBondContact O-N 2.95Å; L83-F86 CarbonylContact O-C 3.59Å; L83-F86 PolarHBondContact O-N 2.9Å; F86-F89 HydrophobicContact CD1-CD1 4.48Å; F86-F89 HydrophobicContact CD1-CD2 4.03Å; F86-F89 HydrophobicContact CD1-CE2 4.13Å; F86-F89 HydrophobicContact CD1-CG 4.19Å; F86-F89 HydrophobicContact CD1-CZ 4.38Å; F86-F89 HydrophobicContact CE1-CE2 4.3Å; F86-F89 HydrophobicContact CE1-CZ 4.31Å; F86-F89 WeakPolarHBondContact O-CB 3.49Å; F86-L141 HydrophobicContact CE1-CD1 4.23Å; F86-L141 HydrophobicContact CZ-CD1 4.04Å
87Q85.8Confident92.8Very high140 Ų14060.9 Ų60.965%0.65431%0.312SS*.THydrogen-bonded Turntrans-64.1137.1167.9-173.8174.115.500109.3L83 F89 R138L83-Q87 VanDerWaalsContact O-CB 3.31Å; L83-Q87 WeakPolarHBondContact O-CB 3.24Å; L83-Q87 PolarHBondContact O-N 3.21Å; Q87-F89 PolarHBondContact O-N 3.42Å; Q87-F89 VanDerWaalsContact O-N 3.11Å; Q87-R138 PolarHBondContact O-NH2 3.39Å
88S87.3Confident92.7Very high76 Ų7663.5 Ų63.553%0.53132%0.32SS..THydrogen-bonded Turntrans49.937.7-179.3-58.50000113.2K90 D93S88-K90 VanDerWaalsContact C-N 3.26Å; S88-K90 PolarHBondContact O-N 3.17Å; S88-D93 WeakPolarHBondContact O-CB 3.32Å
89F93.1Very high92.7Very high48 Ų4863.4 Ų63.421%0.21132%0.319CS..  trans-71.578.4-176.4-165.9-108.2000112F86 Q87 I96 R138 L141 L142 E145F86-F89 HydrophobicContact CD1-CD1 4.48Å; F86-F89 HydrophobicContact CD1-CD2 4.03Å; F86-F89 HydrophobicContact CD1-CE2 4.13Å; F86-F89 HydrophobicContact CD1-CG 4.19Å; F86-F89 HydrophobicContact CD1-CZ 4.38Å; F86-F89 HydrophobicContact CE1-CE2 4.3Å; F86-F89 HydrophobicContact CE1-CZ 4.31Å; F86-F89 WeakPolarHBondContact O-CB 3.49Å; Q87-F89 PolarHBondContact O-N 3.42Å; Q87-F89 VanDerWaalsContact O-N 3.11Å; F89-I96 HydrophobicContact CD2-CD1 3.95Å; F89-I96 HydrophobicContact CE2-CD1 4.34Å; F89-R138 HydrophobicContact CE2-CB 4.17Å; F89-R138 WeakPolarHBondContact CE2-O 3.32Å; F89-L141 HydrophobicContact CE2-CB 4.34Å; F89-L141 HydrophobicContact CZ-CB 3.84Å; F89-L142 HydrophobicContact CD1-CD1 4.19Å; F89-L142 HydrophobicContact CE1-CB 3.93Å; F89-L142 HydrophobicContact CE1-CD1 4.19Å; F89-L142 HydrophobicContact CE1-CG 4.36Å; F89-L142 HydrophobicContact CE2-CB 4.13Å; F89-L142 HydrophobicContact CG-CD1 4.48Å; F89-L142 HydrophobicContact CZ-CB 3.62Å; F89-L142 HydrophobicContact CZ-CD1 4.47Å; F89-L142 HydrophobicContact CZ-CG 4.5Å; F89-L142 VanDerWaalsContact CZ-N 3.34Å; F89-E145 HydrophobicContact CE1-CG 4.18Å
90K93.2Very high92.7Very high137 Ų13761.7 Ų61.760%0.59631%0.313SS*.SBendtrans-142.4156.8-176.3-63.2-176.4179.4-178.40109.8S88 D92 D93S88-K90 VanDerWaalsContact C-N 3.26Å; S88-K90 PolarHBondContact O-N 3.17Å; K90-D92 WeakPolarHBondContact CB-OD1 3.41Å; K90-D92 PolarHBondContact O-N 3.48Å; K90-D93 WeakPolarHBondContact O-CB 3.26Å; K90-D93 PolarHBondContact O-N 3.24Å
91V91.6Very high92.6Very high38 Ų3859.8 Ų59.823%0.2331%0.305CS..THydrogen-bonded Turntrans-62-27.1-178.269.40000113.2K97 L100 L142 L265 L266V91-K97 WeakPolarHBondContact O-CB 3.47Å; V91-L100 HydrophobicContact CG2-CD1 3.79Å; V91-L142 HydrophobicContact CB-CD2 4.37Å; V91-L265 HydrophobicContact CG2-CB 3.58Å; V91-L265 HydrophobicContact CG2-CD1 4.4Å; V91-L266 HydrophobicContact CB-CD2 4.41Å; V91-L266 HydrophobicContact CG1-CD2 4.17Å; V91-L266 HydrophobicContact CG2-CD2 3.62Å; V91-L266 HydrophobicContact CG2-CG 3.92Å
92D88.1Confident92.6Very high108 Ų10854.8 Ų54.858%0.57828%0.282SS*.THydrogen-bonded Turntrans-88.1-1.7-17963.5-21.6000114K90K90-D92 WeakPolarHBondContact CB-OD1 3.41Å; K90-D92 PolarHBondContact O-N 3.48Å
93D94.6Very high92.6Very high24 Ų2453.8 Ų53.813%0.12828%0.277CS..SBendtrans-58.7130.4169.7174.7-83.8000110S88 K90 G95 I96 K97 R138S88-D93 WeakPolarHBondContact O-CB 3.32Å; K90-D93 WeakPolarHBondContact O-CB 3.26Å; K90-D93 PolarHBondContact O-N 3.24Å; D93-G95 PolarHBondContact O-N 3.32Å; D93-G95 VanDerWaalsContact O-N 3.13Å; D93-G95 WeakPolarHBondContact OD1-CA 3.29Å; D93-G95 PolarHBondContact OD1-N 2.63Å; D93-I96 HydrophobicContact CB-CB 4.11Å; D93-I96 HydrophobicContact CB-CD1 4.06Å; D93-I96 HydrophobicContact CB-CG1 4.18Å; D93-I96 PolarHBondContact O-N 3.32Å; D93-I96 PolarHBondContact OD1-N 3.47Å; D93-I96 VanDerWaalsContact OD1-N 3.12Å; D93-K97 WeakPolarHBondContact O-CB 3.43Å; D93-K97 PolarHBondContact O-N 3.49Å; D93-R138 IonicContact OD1-CZ 3.55Å; D93-R138 IonicContact OD1-NH1 3.63Å; D93-R138 PolarHBondContact OD1-NH1 3.14Å; D93-R138 IonicContact OD1-NH2 3.77Å; D93-R138 PolarHBondContact OD1-NH2 3.06Å; D93-R138 IonicContact OD2-CZ 3.08Å; D93-R138 IonicContact OD2-NH1 3.47Å; D93-R138 PolarHBondContact OD2-NH1 3.12Å; D93-R138 IonicContact OD2-NH2 3.65Å; D93-R138 PolarHBondContact OD2-NH2 3.3Å
94P93.4Very high92.7Very high90 Ų9048.4 Ų48.458%0.58425%0.249SC*.Hα-helixtrans-57.5-33.5-173-28.235000114.8R98P94-R98 VanDerWaalsContact O-CB 3.23Å; P94-R98 WeakPolarHBondContact O-CB 3.26Å; P94-R98 PolarHBondContact O-N 2.94Å
95G94.3Very high93.2Very high9 Ų943.4 Ų43.49%0.09322%0.222CC..Hα-helixtrans-75.6-4817900000111.5D93 R98 A99D93-G95 PolarHBondContact O-N 3.32Å; D93-G95 VanDerWaalsContact O-N 3.13Å; D93-G95 WeakPolarHBondContact OD1-CA 3.29Å; D93-G95 PolarHBondContact OD1-N 2.63Å; G95-R98 PolarHBondContact O-N 3.38Å; G95-A99 WeakPolarHBondContact O-CB 3.31Å; G95-A99 PolarHBondContact O-N 3.1Å
96I95.9Very high93.5Very high0 Ų043.4 Ų43.40%022%0.222CC..Hα-helixtrans-61.8-49177.1-65.8175.8000110.5F89 D93 R98 A99 L100 R138 A139 L142F89-I96 HydrophobicContact CD2-CD1 3.95Å; F89-I96 HydrophobicContact CE2-CD1 4.34Å; D93-I96 HydrophobicContact CB-CB 4.11Å; D93-I96 HydrophobicContact CB-CD1 4.06Å; D93-I96 HydrophobicContact CB-CG1 4.18Å; D93-I96 PolarHBondContact O-N 3.32Å; D93-I96 PolarHBondContact OD1-N 3.47Å; D93-I96 VanDerWaalsContact OD1-N 3.12Å; I96-R98 VanDerWaalsContact C-N 3.34Å; I96-R98 PolarHBondContact O-N 2.96Å; I96-A99 PolarHBondContact O-N 2.9Å; I96-L100 HydrophobicContact CG2-CD1 3.85Å; I96-L100 HydrophobicContact CG2-CG 4.32Å; I96-L100 WeakPolarHBondContact O-CG 3.49Å; I96-L100 PolarHBondContact O-N 3.17Å; I96-R138 HydrophobicContact CD1-CB 3.96Å; I96-R138 HydrophobicContact CG1-CB 3.69Å; I96-A139 HydrophobicContact CG2-CB 4.19Å; I96-L142 HydrophobicContact CD1-CD1 4.19Å; I96-L142 HydrophobicContact CG2-CD1 4.39Å; I96-L142 HydrophobicContact CG2-CD2 4.36Å
97K94.7Very high93.7Very high40 Ų4042.4 Ų42.417%0.17422%0.218CC..Hα-helixtrans-56.6-49.1179.4-171.7179.2-177.7-1680110.9V91 D93 A99 L100 M101 L266 E275V91-K97 WeakPolarHBondContact O-CB 3.47Å; D93-K97 WeakPolarHBondContact O-CB 3.43Å; D93-K97 PolarHBondContact O-N 3.49Å; K97-A99 PolarHBondContact O-N 3.35Å; K97-L100 PolarHBondContact O-N 3.45Å; K97-M101 WeakPolarHBondContact O-CB 3.18Å; K97-M101 VanDerWaalsContact O-CG 3.25Å; K97-M101 WeakPolarHBondContact O-CG 3.41Å; K97-M101 PolarHBondContact O-N 3.06Å; K97-L266 HydrophobicContact CD-CD2 4.25Å; K97-L266 HydrophobicContact CG-CD1 4.04Å; K97-L266 HydrophobicContact CG-CD2 4.14Å; K97-E275 WeakPolarHBondContact CE-OE1 3.46Å; K97-E275 WeakPolarHBondContact CE-OE2 3.39Å; K97-E275 IonicContact NZ-OE1 2.65Å; K97-E275 PolarHBondContact NZ-OE1 3.12Å; K97-E275 IonicContact NZ-OE2 3.47Å; K97-E275 PolarHBondContact NZ-OE2 2.66Å
98R94.6Very high94.3Very high94 Ų9436.2 Ų36.236%0.35519%0.189SC..Hα-helixtrans-63.4-42.4179.4-169-179.6-52.4143.45111.9P94 G95 I96 M101 D102 R130 N131P94-R98 VanDerWaalsContact O-CB 3.23Å; P94-R98 WeakPolarHBondContact O-CB 3.26Å; P94-R98 PolarHBondContact O-N 2.94Å; G95-R98 PolarHBondContact O-N 3.38Å; I96-R98 VanDerWaalsContact C-N 3.34Å; I96-R98 PolarHBondContact O-N 2.96Å; R98-M101 PolarHBondContact O-N 3.2Å; R98-D102 WeakPolarHBondContact O-CB 3.42Å; R98-D102 VanDerWaalsContact O-CG 3.24Å; R98-D102 PolarHBondContact O-N 3.48Å; R98-R130 WeakPolarHBondContact CD-O 3.42Å; R98-R130 PolarHBondContact NH1-O 3.05Å; R98-N131 WeakPolarHBondContact CB-OD1 3.22Å; R98-N131 WeakPolarHBondContact CD-OD1 3.28Å; R98-N131 VanDerWaalsContact CG-OD1 3.27Å; R98-N131 WeakPolarHBondContact CG-OD1 3.09Å
99A96.1Very high94.7Very high0 Ų040.2 Ų40.20%020%0.2CC..Hα-helixtrans-60.8-45175.600000112.1G95 I96 K97 M101 D102 G103 F104 I136 A139G95-A99 WeakPolarHBondContact O-CB 3.31Å; G95-A99 PolarHBondContact O-N 3.1Å; I96-A99 PolarHBondContact O-N 2.9Å; K97-A99 PolarHBondContact O-N 3.35Å; A99-M101 VanDerWaalsContact C-N 3.34Å; A99-M101 PolarHBondContact O-N 2.78Å; A99-D102 PolarHBondContact O-N 3.01Å; A99-G103 PolarHBondContact O-N 3.23Å; A99-F104 CarbonylContact C-O 3.53Å; A99-F104 HydrophobicContact CB-CB 4.41Å; A99-F104 WeakPolarHBondContact O-CA 3.26Å; A99-F104 WeakPolarHBondContact O-CB 3.23Å; A99-F104 PolarHBondContact O-N 3.13Å; A99-I136 HydrophobicContact CB-CG1 4.28Å; A99-A139 HydrophobicContact CB-CB 3.78Å
100L96Very high94.9Very high0 Ų040.5 Ų40.50%021%0.206CC..Hα-helixtrans-60.2-44.1175.3-70.1169.8000111.6V91 I96 K97 D102 G103 A139 A262 L265V91-L100 HydrophobicContact CG2-CD1 3.79Å; I96-L100 HydrophobicContact CG2-CD1 3.85Å; I96-L100 HydrophobicContact CG2-CG 4.32Å; I96-L100 WeakPolarHBondContact O-CG 3.49Å; I96-L100 PolarHBondContact O-N 3.17Å; K97-L100 PolarHBondContact O-N 3.45Å; L100-D102 VanDerWaalsContact C-N 3.3Å; L100-D102 PolarHBondContact O-N 3.41Å; L100-G103 PolarHBondContact O-N 3.27Å; L100-A139 HydrophobicContact CD2-CB 4.1Å; L100-A139 HydrophobicContact CG-CB 4.05Å; L100-A262 HydrophobicContact CB-CB 3.98Å; L100-L265 HydrophobicContact CD1-CD1 3.84Å; L100-L265 HydrophobicContact CD2-CD1 4.01Å
101M92.6Very high95.1Very high41 Ų4136.5 Ų36.520%0.20219%0.193CC..Hα-helixtrans-63.4-34.6177.5-72.2-51.5-49.700113.3K97 R98 A99 G103 A262 L266 Y270 D272K97-M101 WeakPolarHBondContact O-CB 3.18Å; K97-M101 VanDerWaalsContact O-CG 3.25Å; K97-M101 WeakPolarHBondContact O-CG 3.41Å; K97-M101 PolarHBondContact O-N 3.06Å; R98-M101 PolarHBondContact O-N 3.2Å; A99-M101 VanDerWaalsContact C-N 3.34Å; A99-M101 PolarHBondContact O-N 2.78Å; M101-G103 PolarHBondContact O-N 3.18Å; M101-A262 HydrophobicContact CG-CB 4.47Å; M101-A262 HydrophobicContact SD-CB 3.46Å; M101-A262 WeakPolarHBondContact SD-CB 3.13Å; M101-L266 HydrophobicContact SD-CD1 4.17Å; M101-Y270 HydrophobicContact CE-CE1 3.96Å; M101-Y270 WeakPolarHBondContact CE-OH 3.18Å; M101-Y270 HydrophobicContact SD-CE1 3.93Å; M101-Y270 HydrophobicContact SD-CE2 3.83Å; M101-Y270 PolarHBondContact SD-OH 2.82Å; M101-D272 WeakPolarHBondContact CE-OD1 3.36Å
102D93.8Very high95.5Very high30 Ų3035 Ų3516%0.1618%0.184CC..THydrogen-bonded Turntrans-79.24.5176.1-63.8-21.4000112.1R98 A99 L100 F104 N125 R130 N131R98-D102 WeakPolarHBondContact O-CB 3.42Å; R98-D102 VanDerWaalsContact O-CG 3.24Å; R98-D102 PolarHBondContact O-N 3.48Å; A99-D102 PolarHBondContact O-N 3.01Å; L100-D102 VanDerWaalsContact C-N 3.3Å; L100-D102 PolarHBondContact O-N 3.41Å; D102-F104 HydrophobicContact CB-CD2 4.17Å; D102-F104 HydrophobicContact CB-CE2 4.43Å; D102-N125 WeakPolarHBondContact O-CB 3.37Å; D102-N125 PolarHBondContact O-ND2 2.94Å; D102-R130 IonicContact OD1-NH2 2.9Å; D102-R130 IonicContact OD2-NE 2.64Å; D102-N131 PolarHBondContact OD2-ND2 2.96Å
103G94.3Very high95.9Very high0 Ų033 Ų330%017%0.171CC..THydrogen-bonded Turntrans87.923.4176.200000114.5A99 L100 M101 P105 G106A99-G103 PolarHBondContact O-N 3.23Å; L100-G103 PolarHBondContact O-N 3.27Å; M101-G103 PolarHBondContact O-N 3.18Å; G103-P105 CarbonylContact O-C 3.57Å; G103-G106 PolarHBondContact O-N 3.22Å
104F95.8Very high96Very high6 Ų636.5 Ų36.53%0.02619%0.187CC..THydrogen-bonded Turntrans-112.8107-179.8-65.2-63.9000113.5A99 D102 L121 F122 N125 W126 I136 A139A99-F104 CarbonylContact C-O 3.53Å; A99-F104 HydrophobicContact CB-CB 4.41Å; A99-F104 WeakPolarHBondContact O-CA 3.26Å; A99-F104 WeakPolarHBondContact O-CB 3.23Å; A99-F104 PolarHBondContact O-N 3.13Å; D102-F104 HydrophobicContact CB-CD2 4.17Å; D102-F104 HydrophobicContact CB-CE2 4.43Å; F104-L121 HydrophobicContact CD1-CD2 3.99Å; F104-F122 VanDerWaalsContact CE1-O 3.3Å; F104-F122 WeakPolarHBondContact CE1-O 3.32Å; F104-F122 VanDerWaalsContact CZ-O 3.23Å; F104-F122 WeakPolarHBondContact CZ-O 3.32Å; F104-N125 HydrophobicContact CE2-CB 3.7Å; F104-N125 HydrophobicContact CZ-CB 3.59Å; F104-W126 HydrophobicContact CE2-CB 4.03Å; F104-W126 HydrophobicContact CZ-CB 3.8Å; F104-I136 HydrophobicContact CB-CB 4.5Å; F104-I136 HydrophobicContact CB-CG1 4.1Å; F104-I136 HydrophobicContact CB-CG2 4.04Å; F104-I136 HydrophobicContact CD1-CG2 4.34Å; F104-I136 HydrophobicContact CD2-CD1 3.88Å; F104-I136 HydrophobicContact CD2-CG1 3.99Å; F104-I136 HydrophobicContact CE2-CD1 4.05Å; F104-I136 HydrophobicContact CG-CD1 4.14Å; F104-I136 HydrophobicContact CG-CG1 4.04Å; F104-I136 HydrophobicContact CG-CG2 4.21Å; F104-I136 HydrophobicContact CZ-CD1 4.44Å; F104-A139 WeakPolarHBondContact O-CB 3.36Å
105P97.6Very high96.2Very high1 Ų133.3 Ų33.31%0.00617%0.17CC..THydrogen-bonded Turncis-78.2159.6-17.135-34000111.9G103 V107 L119 L121 I140 S143 W261G103-P105 CarbonylContact O-C 3.57Å; P105-V107 HydrophobicContact CG-CG2 4.48Å; P105-L119 HydrophobicContact CB-CD2 4.26Å; P105-L119 HydrophobicContact CG-CD2 4.19Å; P105-L121 HydrophobicContact CB-CD2 3.74Å; P105-I140 HydrophobicContact CB-CG1 4.18Å; P105-I140 HydrophobicContact CG-CG1 4.14Å; P105-S143 WeakPolarHBondContact CD-OG 3.4Å; P105-S143 WeakPolarHBondContact CG-OG 3.43Å; P105-W261 VanDerWaalsContact O-CD1 3.25Å
106G97.8Very high96.4Very high0 Ų034.7 Ų34.70%017%0.172CC..EExtended strand (participates in β ladder)trans-77.9151.2153.600000110.7G103 L119 I120 Y256G103-G106 PolarHBondContact O-N 3.22Å; G106-L119 CarbonylContact O-C 3.58Å; G106-L119 VanDerWaalsContact O-CA 3.31Å; G106-L119 WeakPolarHBondContact O-CA 3.43Å; G106-I120 PolarHBondContact N-O 2.75Å; G106-I120 PolarHBondContact O-N 2.99Å; G106-Y256 WeakPolarHBondContact CA-OH 3.26Å
107V98.3Very high96.5Very high9 Ų936.4 Ų36.46%0.05518%0.18CC..EExtended strand (participates in β ladder)trans-134.8120.1178.7179.90000108.8P105 K117 L119 L147 Y256 W261P105-V107 HydrophobicContact CG-CG2 4.48Å; V107-K117 HydrophobicContact CG1-CD 3.8Å; V107-K117 HydrophobicContact CG1-CG 4.02Å; V107-L119 HydrophobicContact CG2-CG 4.35Å; V107-L147 HydrophobicContact CG1-CD1 4.1Å; V107-L147 HydrophobicContact CG1-CD2 4.18Å; V107-L147 HydrophobicContact CG2-CD1 4.17Å; V107-Y256 PolarHBondContact N-OH 3.42Å; V107-W261 HydrophobicContact CB-CB 4.31Å; V107-W261 HydrophobicContact CB-CD2 3.7Å; V107-W261 HydrophobicContact CB-CE3 3.81Å; V107-W261 HydrophobicContact CB-CG 3.91Å; V107-W261 HydrophobicContact CB-CZ3 4.42Å; V107-W261 HydrophobicContact CG1-CD2 4.45Å; V107-W261 HydrophobicContact CG1-CE3 4.17Å; V107-W261 HydrophobicContact CG1-CZ3 4.33Å; V107-W261 HydrophobicContact CG2-CB 4.42Å; V107-W261 HydrophobicContact CG2-CD2 3.48Å; V107-W261 VanDerWaalsContact CG2-CD2 3.48Å; V107-W261 HydrophobicContact CG2-CE3 4.04Å; V107-W261 HydrophobicContact CG2-CG 3.63Å; V107-W261 HydrophobicContact CG2-CZ2 4.1Å
108L98.1Very high96.7Very high9 Ų934.5 Ų34.55%0.04717%0.172CC..  trans-74.1139.2176.2-63.2-171.6000111.2K117 I118 I120 C244 P246 Y256L108-K117 WeakPolarHBondContact O-CD 3.48Å; L108-K117 PolarHBondContact O-NZ 2.75Å; L108-K117 VanDerWaalsContact O-NZ 3.13Å; L108-I118 HydrophobicContact CB-CB 4.2Å; L108-I118 HydrophobicContact CD1-CB 3.94Å; L108-I118 HydrophobicContact CD1-CD1 3.97Å; L108-I118 HydrophobicContact CD1-CG2 3.9Å; L108-I118 HydrophobicContact CG-CB 4.18Å; L108-I118 HydrophobicContact CG-CG2 4.27Å; L108-I118 PolarHBondContact N-O 2.92Å; L108-I120 HydrophobicContact CD1-CD1 3.9Å; L108-I120 HydrophobicContact CD2-CD1 3.38Å; L108-I120 HydrophobicContact CG-CD1 3.53Å; L108-I120 HydrophobicContact CG-CG1 4.35Å; L108-C244 WeakPolarHBondContact CD1-O 3.5Å; L108-P246 HydrophobicContact CD2-CG 4.36Å; L108-Y256 HydrophobicContact CD2-CD2 3.42Å; L108-Y256 VanDerWaalsContact CD2-CD2 3.42Å; L108-Y256 HydrophobicContact CD2-CE2 3.76Å; L108-Y256 HydrophobicContact CD2-CG 4.38Å
109E95.8Very high96.9Very high161 Ų16130.1 Ų30.175%0.75216%0.155SC*.SBendtrans-65.7-52.2171.6-172.9172.7-174.100109.9K117E109-K117 PolarHBondContact O-NZ 2.94Å
110T96.6Very high97Very high54 Ų5430.1 Ų30.133%0.33116%0.155SC..SBendtrans-67.4121.2175.5-48.10000110.7L253T110-L253 HydrophobicContact CG2-CD1 4.47Å
111P97.9Very high97.1Very high52 Ų5231 Ų3134%0.33816%0.16SC..  trans-72.7170.4169.933.4-34.8000110.7R116 C244P111-R116 CarbonylContact C-O 3.33Å; P111-R116 VanDerWaalsContact CA-O 3.29Å; P111-R116 WeakPolarHBondContact CA-O 3.32Å; P111-R116 WeakPolarHBondContact CB-O 3.27Å; P111-C244 PolarHBondContact O-SG 3.38Å
112D98.4Very high97.4Very high6 Ų629.6 Ų29.63%0.03215%0.153CC..  trans-71.7177.8169.788.7-21.3000112.5H114 G115 R116 I118 I240D112-H114 PolarHBondContact O-N 3.36Å; D112-H114 WeakPolarHBondContact OD1-CA 3.11Å; D112-H114 PolarHBondContact OD1-N 2.81Å; D112-H114 IonicContact OD2-CD2 2.86Å; D112-G115 PolarHBondContact O-N 3.35Å; D112-G115 PolarHBondContact OD1-N 3.13Å; D112-R116 PolarHBondContact N-O 2.91Å; D112-R116 WeakPolarHBondContact OD1-CA 3.16Å; D112-R116 VanDerWaalsContact OD1-CB 3.22Å; D112-R116 WeakPolarHBondContact OD1-CB 3.48Å; D112-R116 WeakPolarHBondContact OD1-CG 3.38Å; D112-R116 PolarHBondContact OD1-N 3.5Å; D112-R116 IonicContact OD1-NE 3.82Å; D112-R116 IonicContact OD2-CZ 3.93Å; D112-R116 IonicContact OD2-NE 3.24Å; D112-R116 PolarHBondContact OD2-NE 3.19Å; D112-R116 IonicContact OD2-NH2 3.68Å; D112-R116 PolarHBondContact OD2-NH2 3.23Å; D112-I118 HydrophobicContact CB-CD1 3.9Å; D112-I118 HydrophobicContact CB-CG1 4.16Å; D112-I240 HydrophobicContact CB-CG2 4.27Å
113Q97.8Very high97.5Very high67 Ų6728.6 Ų28.631%0.31315%0.149SC..THydrogen-bonded Turntrans-63.6-5.1-179.175.1-80.44.800115.4L239 L241Q113-L239 PolarHBondContact NE2-O 2.97Å; Q113-L241 HydrophobicContact CB-CD1 3.58Å; Q113-L241 HydrophobicContact CB-CG 3.87Å; Q113-L241 HydrophobicContact CG-CD1 4.15Å; Q113-L241 HydrophobicContact CG-CG 4.03Å
114H96.9Very high97.5Very high97 Ų9730.7 Ų30.745%0.44916%0.164SC..THydrogen-bonded Turntrans-114.113176.8-59.1-62.5000112.5K15 D112 R116K15-H114 PolarHBondContact NZ-O 3.22Å; K15-H114 VanDerWaalsContact NZ-O 3.1Å; D112-H114 PolarHBondContact O-N 3.36Å; D112-H114 WeakPolarHBondContact OD1-CA 3.11Å; D112-H114 PolarHBondContact OD1-N 2.81Å; D112-H114 IonicContact OD2-CD2 2.86Å; H114-R116 VanDerWaalsContact C-N 3.28Å; H114-R116 HydrophobicContact CB-CG 4.23Å; H114-R116 PolarHBondContact O-N 2.7Å
115G97.4Very high97.4Very high23 Ų2333.1 Ų33.124%0.23718%0.177CC..SBendtrans75.612.7-178.900000113.9D112 N156D112-G115 PolarHBondContact O-N 3.35Å; D112-G115 PolarHBondContact OD1-N 3.13Å; G115-N156 WeakPolarHBondContact O-CB 3.37Å
116R98.6Very high97.3Very high38 Ų3833.8 Ų33.814%0.14318%0.179CC..PPolyproline II helixtrans-81133.6-179-55.5-179.1-73.4-171.36.1109.6P111 D112 H114 N156 G157 I159P111-R116 CarbonylContact C-O 3.33Å; P111-R116 VanDerWaalsContact CA-O 3.29Å; P111-R116 WeakPolarHBondContact CA-O 3.32Å; P111-R116 WeakPolarHBondContact CB-O 3.27Å; D112-R116 PolarHBondContact N-O 2.91Å; D112-R116 WeakPolarHBondContact OD1-CA 3.16Å; D112-R116 VanDerWaalsContact OD1-CB 3.22Å; D112-R116 WeakPolarHBondContact OD1-CB 3.48Å; D112-R116 WeakPolarHBondContact OD1-CG 3.38Å; D112-R116 PolarHBondContact OD1-N 3.5Å; D112-R116 IonicContact OD1-NE 3.82Å; D112-R116 IonicContact OD2-CZ 3.93Å; D112-R116 IonicContact OD2-NE 3.24Å; D112-R116 PolarHBondContact OD2-NE 3.19Å; D112-R116 IonicContact OD2-NH2 3.68Å; D112-R116 PolarHBondContact OD2-NH2 3.23Å; H114-R116 VanDerWaalsContact C-N 3.28Å; H114-R116 HydrophobicContact CB-CG 4.23Å; H114-R116 PolarHBondContact O-N 2.7Å; R116-N156 WeakPolarHBondContact CG-O 3.43Å; R116-G157 VanDerWaalsContact CA-O 3.27Å; R116-G157 WeakPolarHBondContact CA-O 3.36Å; R116-I159 HydrophobicContact CB-CG1 4.05Å; R116-I159 VanDerWaalsContact CZ-CD1 3.4Å
117K98.6Very high97Very high37 Ų3737.6 Ų37.616%0.16120%0.2CC..EExtended strand (participates in β ladder)trans-74.6130.6175.8-175.464.769.8173.60109.9V107 L108 E109 L147 L153 G157 F158 I159V107-K117 HydrophobicContact CG1-CD 3.8Å; V107-K117 HydrophobicContact CG1-CG 4.02Å; L108-K117 WeakPolarHBondContact O-CD 3.48Å; L108-K117 PolarHBondContact O-NZ 2.75Å; L108-K117 VanDerWaalsContact O-NZ 3.13Å; E109-K117 PolarHBondContact O-NZ 2.94Å; K117-L147 HydrophobicContact CG-CD1 4.23Å; K117-L147 HydrophobicContact CG-CD2 4.22Å; K117-L153 HydrophobicContact CB-CD1 3.81Å; K117-L153 HydrophobicContact CB-CD2 3.75Å; K117-L153 HydrophobicContact CB-CG 4.44Å; K117-L153 HydrophobicContact CG-CD1 4.18Å; K117-G157 PolarHBondContact N-O 3Å; K117-F158 HydrophobicContact CB-CD1 3.86Å; K117-F158 HydrophobicContact CB-CE1 4.06Å; K117-F158 HydrophobicContact CG-CD1 4.45Å; K117-F158 HydrophobicContact CG-CE1 4.5Å; K117-F158 CarbonylContact O-C 3.56Å; K117-F158 VanDerWaalsContact O-CA 3.26Å; K117-F158 WeakPolarHBondContact O-CA 3.48Å; K117-I159 PolarHBondContact O-N 2.95Å
118I98.8Very high96.6Very high0 Ų039.7 Ų39.70%021%0.209CC..EExtended strand (participates in β ladder)trans-96.8120.9-176.7-56.1169.2000109.2L108 D112 I120 I159 I161 I240 C244 L245L108-I118 HydrophobicContact CB-CB 4.2Å; L108-I118 HydrophobicContact CD1-CB 3.94Å; L108-I118 HydrophobicContact CD1-CD1 3.97Å; L108-I118 HydrophobicContact CD1-CG2 3.9Å; L108-I118 HydrophobicContact CG-CB 4.18Å; L108-I118 HydrophobicContact CG-CG2 4.27Å; L108-I118 PolarHBondContact N-O 2.92Å; D112-I118 HydrophobicContact CB-CD1 3.9Å; D112-I118 HydrophobicContact CB-CG1 4.16Å; I118-I120 HydrophobicContact CG2-CG1 4.23Å; I118-I159 HydrophobicContact CG1-CB 4.14Å; I118-I159 HydrophobicContact CG1-CG2 4.47Å; I118-I159 HydrophobicContact CG2-CG2 4.24Å; I118-I161 HydrophobicContact CG2-CD1 3.74Å; I118-I161 HydrophobicContact CG2-CG1 4.04Å; I118-I240 HydrophobicContact CD1-CG2 4.22Å; I118-C244 HydrophobicContact CD1-CB 4.23Å; I118-L245 HydrophobicContact CD1-CD2 4.33Å
119L98.7Very high96.2Very high2 Ų242.8 Ų42.81%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-98.5140.7168.3-75.273.4000109P105 G106 V107 L144 L147 F158 I159 L160 I161P105-L119 HydrophobicContact CB-CD2 4.26Å; P105-L119 HydrophobicContact CG-CD2 4.19Å; G106-L119 CarbonylContact O-C 3.58Å; G106-L119 VanDerWaalsContact O-CA 3.31Å; G106-L119 WeakPolarHBondContact O-CA 3.43Å; V107-L119 HydrophobicContact CG2-CG 4.35Å; L119-L144 HydrophobicContact CD1-CD2 4.34Å; L119-L144 HydrophobicContact CD2-CD2 3.85Å; L119-L144 HydrophobicContact CD2-CG 4.19Å; L119-L147 HydrophobicContact CD1-CD1 4.12Å; L119-F158 HydrophobicContact CD1-CB 4.45Å; L119-F158 HydrophobicContact CD1-CD1 3.69Å; L119-F158 HydrophobicContact CD1-CE1 4.47Å; L119-F158 HydrophobicContact CD1-CG 4.47Å; L119-I159 PolarHBondContact N-O 2.8Å; L119-L160 HydrophobicContact CB-CD1 3.95Å; L119-L160 CarbonylContact O-C 3.59Å; L119-L160 WeakPolarHBondContact O-CA 3.04Å; L119-I161 PolarHBondContact O-N 2.83Å
120I98.3Very high95.8Very high0 Ų037.7 Ų37.70%022%0.216CC..EExtended strand (participates in β ladder)trans-123.4137.5-180-58.5160.8000109.8G106 L108 I118 F122 I161 P246 F249 Y256G106-I120 PolarHBondContact N-O 2.75Å; G106-I120 PolarHBondContact O-N 2.99Å; L108-I120 HydrophobicContact CD1-CD1 3.9Å; L108-I120 HydrophobicContact CD2-CD1 3.38Å; L108-I120 HydrophobicContact CG-CD1 3.53Å; L108-I120 HydrophobicContact CG-CG1 4.35Å; I118-I120 HydrophobicContact CG2-CG1 4.23Å; I120-F122 HydrophobicContact CB-CE2 4.34Å; I120-F122 HydrophobicContact CG2-CD2 3.73Å; I120-F122 HydrophobicContact CG2-CE1 4.43Å; I120-F122 HydrophobicContact CG2-CE2 3.35Å; I120-F122 HydrophobicContact CG2-CG 4.45Å; I120-F122 HydrophobicContact CG2-CZ 3.76Å; I120-I161 CarbonylContact C-O 3.55Å; I120-I161 WeakPolarHBondContact CA-O 3.08Å; I120-P246 HydrophobicContact CD1-CG 4.27Å; I120-F249 HydrophobicContact CD1-CE2 3.83Å; I120-F249 HydrophobicContact CG1-CE2 4.05Å; I120-F249 HydrophobicContact CG2-CE2 3.69Å; I120-F249 HydrophobicContact CG2-CZ 3.56Å; I120-Y256 HydrophobicContact CD1-CD2 4.46Å; I120-Y256 HydrophobicContact CD1-CG 4.47Å
121L98.1Very high95.5Very high19 Ų1935.2 Ų35.210%0.09920%0.201CC..EExtended strand (participates in β ladder)trans-122.1116.7169.1-55179000109F104 P105 A123 I140 L160 I161 I162 D163F104-L121 HydrophobicContact CD1-CD2 3.99Å; P105-L121 HydrophobicContact CB-CD2 3.74Å; L121-A123 PolarHBondContact O-N 3.41Å; L121-I140 HydrophobicContact CD1-CD1 4.02Å; L121-I140 HydrophobicContact CD2-CD1 3.94Å; L121-I140 HydrophobicContact CD2-CG1 4.24Å; L121-L160 HydrophobicContact CD1-CD1 4.01Å; L121-L160 HydrophobicContact CG-CD1 3.94Å; L121-I161 PolarHBondContact N-O 3.46Å; L121-I162 HydrophobicContact CB-CG1 4.4Å; L121-I162 HydrophobicContact CB-CG2 4.22Å; L121-I162 HydrophobicContact CD1-CD1 4.15Å; L121-I162 HydrophobicContact CD1-CG1 4.14Å; L121-I162 CarbonylContact O-C 3.49Å; L121-I162 WeakPolarHBondContact O-CA 3.47Å; L121-D163 PolarHBondContact O-N 2.83Å
122F97.3Very high95.3Very high10 Ų1035.2 Ų35.24%0.04420%0.202CC..EExtended strand (participates in β ladder)trans-90.695.5167.8-65.5-86.1000108.6F104 I120 S124 N125 D163 E248 F249 Y256 M258F104-F122 VanDerWaalsContact CE1-O 3.3Å; F104-F122 WeakPolarHBondContact CE1-O 3.32Å; F104-F122 VanDerWaalsContact CZ-O 3.23Å; F104-F122 WeakPolarHBondContact CZ-O 3.32Å; I120-F122 HydrophobicContact CB-CE2 4.34Å; I120-F122 HydrophobicContact CG2-CD2 3.73Å; I120-F122 HydrophobicContact CG2-CE1 4.43Å; I120-F122 HydrophobicContact CG2-CE2 3.35Å; I120-F122 HydrophobicContact CG2-CG 4.45Å; I120-F122 HydrophobicContact CG2-CZ 3.76Å; F122-S124 PolarHBondContact O-N 2.76Å; F122-S124 VanDerWaalsContact O-N 3.1Å; F122-N125 WeakPolarHBondContact O-CB 3.42Å; F122-N125 PolarHBondContact O-N 3.4Å; F122-D163 HydrophobicContact CD1-CB 3.86Å; F122-D163 HydrophobicContact CE1-CB 4.33Å; F122-E248 HydrophobicContact CE1-CB 4.14Å; F122-E248 HydrophobicContact CE1-CG 4.21Å; F122-E248 HydrophobicContact CZ-CB 4.38Å; F122-E248 HydrophobicContact CZ-CG 4.34Å; F122-F249 HydrophobicContact CE1-CE2 4.29Å; F122-F249 AromaticContact CE1-CZ 3.75Å; F122-F249 HydrophobicContact CE1-CZ 3.75Å; F122-F249 AromaticContact CZ-CE2 3.93Å; F122-F249 HydrophobicContact CZ-CE2 3.93Å; F122-F249 AromaticContact CZ-CZ 3.81Å; F122-F249 HydrophobicContact CZ-CZ 3.81Å; F122-Y256 AromaticContact CE2-CD1 3.97Å; F122-Y256 HydrophobicContact CE2-CD1 3.97Å; F122-M258 HydrophobicContact CD1-CE 4.19Å; F122-M258 HydrophobicContact CD2-CE 3.22Å; F122-M258 HydrophobicContact CD2-SD 3.42Å; F122-M258 WeakPolarHBondContact CD2-SD 3.46Å; F122-M258 HydrophobicContact CE1-CE 4.15Å; F122-M258 HydrophobicContact CE2-CE 3.14Å; F122-M258 HydrophobicContact CE2-SD 3.61Å; F122-M258 HydrophobicContact CG-CE 3.74Å; F122-M258 HydrophobicContact CG-SD 4.3Å; F122-M258 HydrophobicContact CZ-CE 3.64Å
123A96.1Very high95Very high10 Ų1036.8 Ų36.88%0.08321%0.209CC..G310 helixtrans-60.9-26.4-170.300000112.9L121 N125 W126 D163 W164 F167L121-A123 PolarHBondContact O-N 3.41Å; A123-N125 PolarHBondContact O-N 2.76Å; A123-W126 PolarHBondContact O-N 3.24Å; A123-D163 WeakPolarHBondContact CB-O 3.46Å; A123-D163 PolarHBondContact N-O 3.17Å; A123-W164 HydrophobicContact CB-CD2 4.48Å; A123-W164 HydrophobicContact CB-CE3 4.02Å; A123-W164 HydrophobicContact CB-CZ3 4.42Å; A123-F167 HydrophobicContact CB-CB 4.28Å; A123-F167 HydrophobicContact CB-CD2 3.54Å; A123-F167 HydrophobicContact CB-CE2 4.05Å; A123-F167 HydrophobicContact CB-CG 4.11Å
124S94.8Very high94.9Very high44 Ų4435.4 Ų35.431%0.30821%0.205SC..G310 helixtrans-57.1-30.8172.949.80000113.8F122 W126 S165F122-S124 PolarHBondContact O-N 2.76Å; F122-S124 VanDerWaalsContact O-N 3.1Å; S124-W126 PolarHBondContact O-N 3.02Å; S124-S165 WeakPolarHBondContact CB-O 3.43Å
125N94Very high94.8Very high56 Ų5632.2 Ų32.230%0.29919%0.191SC..G310 helixtrans-71.2-10.4-176.4-63.66.6000112.3D102 F104 F122 A123 D127D102-N125 WeakPolarHBondContact O-CB 3.37Å; D102-N125 PolarHBondContact O-ND2 2.94Å; F104-N125 HydrophobicContact CE2-CB 3.7Å; F104-N125 HydrophobicContact CZ-CB 3.59Å; F122-N125 WeakPolarHBondContact O-CB 3.42Å; F122-N125 PolarHBondContact O-N 3.4Å; A123-N125 PolarHBondContact O-N 2.76Å; N125-D127 PolarHBondContact O-N 3.05Å
126W95.4Very high94.8Very high16 Ų1631.5 Ų31.56%0.06118%0.182CC..  trans-75.594.5-175.8179.229.1000111.6F104 A123 S124 Q128 N131 F133 I136 F167 Q171 K174 L175F104-W126 HydrophobicContact CE2-CB 4.03Å; F104-W126 HydrophobicContact CZ-CB 3.8Å; A123-W126 PolarHBondContact O-N 3.24Å; S124-W126 PolarHBondContact O-N 3.02Å; W126-Q128 HydrophobicContact CD2-CG 4.26Å; W126-Q128 HydrophobicContact CH2-CG 4.34Å; W126-Q128 HydrophobicContact CZ2-CG 3.88Å; W126-Q128 PolarHBondContact O-N 3.15Å; W126-N131 PolarHBondContact NE1-O 3.18Å; W126-F133 HydrophobicContact CH2-CB 4.17Å; W126-F133 HydrophobicContact CH2-CD2 4.43Å; W126-F133 HydrophobicContact CZ2-CB 3.86Å; W126-I136 HydrophobicContact CB-CD1 4.16Å; W126-I136 HydrophobicContact CD2-CD1 4.24Å; W126-I136 HydrophobicContact CG-CD1 3.66Å; W126-F167 AromaticContact CE3-CE2 3.98Å; W126-F167 HydrophobicContact CE3-CE2 3.98Å; W126-F167 HydrophobicContact CE3-CZ 4.34Å; W126-F167 HydrophobicContact CZ3-CE2 4.44Å; W126-F167 HydrophobicContact CZ3-CZ 4.34Å; W126-Q171 HydrophobicContact CE3-CB 4Å; W126-Q171 HydrophobicContact CE3-CG 4.26Å; W126-Q171 HydrophobicContact CZ3-CB 4.15Å; W126-Q171 WeakPolarHBondContact CZ3-O 3.44Å; W126-Q171 PolarHBondContact O-NE2 3.32Å; W126-K174 HydrophobicContact CH2-CB 3.68Å; W126-K174 HydrophobicContact CZ2-CB 4.38Å; W126-K174 HydrophobicContact CZ3-CB 4.46Å; W126-L175 HydrophobicContact CH2-CD2 3.73Å; W126-L175 HydrophobicContact CH2-CG 4.27Å; W126-L175 HydrophobicContact CZ3-CD1 4.48Å; W126-L175 HydrophobicContact CZ3-CD2 3.64Å; W126-L175 HydrophobicContact CZ3-CG 3.91Å
127D92.3Very high94.7Very high80 Ų8029.9 Ų29.943%0.42818%0.176SC..  trans-83.4108.3165.7-174.9-6000110.7N125 G129 R130 N131N125-D127 PolarHBondContact O-N 3.05Å; D127-G129 PolarHBondContact O-N 2.84Å; D127-G129 PolarHBondContact OD1-N 3.32Å; D127-R130 HydrophobicContact CB-CB 4.13Å; D127-R130 HydrophobicContact CB-CG 4.22Å; D127-R130 PolarHBondContact O-N 2.83Å; D127-R130 WeakPolarHBondContact OD2-CD 3.27Å; D127-R130 WeakPolarHBondContact OD2-CG 3.22Å; D127-N131 PolarHBondContact O-N 3.24Å
128Q89.6Confident94.6Very high53 Ų5328.9 Ų28.925%0.24817%0.171CC..THydrogen-bonded Turntrans-65.2-20.8179.1-62164.534.300113.8W126 R130 K170 Q171 K174W126-Q128 HydrophobicContact CD2-CG 4.26Å; W126-Q128 HydrophobicContact CH2-CG 4.34Å; W126-Q128 HydrophobicContact CZ2-CG 3.88Å; W126-Q128 PolarHBondContact O-N 3.15Å; Q128-R130 VanDerWaalsContact C-N 3.29Å; Q128-K170 PolarHBondContact NE2-O 3.43Å; Q128-Q171 VanDerWaalsContact NE2-CG 3.29Å; Q128-K174 HydrophobicContact CG-CG 4.3Å
129G89.1Confident94.6Very high73 Ų7328.9 Ų28.975%0.75317%0.171SC*.THydrogen-bonded Turntrans-75.8-22.8174.100000112.2D127D127-G129 PolarHBondContact O-N 2.84Å; D127-G129 PolarHBondContact OD1-N 3.32Å
130R88.1Confident94.5Very high54 Ų5429.6 Ų29.620%0.20418%0.175CC..THydrogen-bonded Turntrans-100.5-44.6-177.1-69.4175.364.5105.3-4.1112.7R98 D102 D127 Q128R98-R130 WeakPolarHBondContact CD-O 3.42Å; R98-R130 PolarHBondContact NH1-O 3.05Å; D102-R130 IonicContact OD1-NH2 2.9Å; D102-R130 IonicContact OD2-NE 2.64Å; D127-R130 HydrophobicContact CB-CB 4.13Å; D127-R130 HydrophobicContact CB-CG 4.22Å; D127-R130 PolarHBondContact O-N 2.83Å; D127-R130 WeakPolarHBondContact OD2-CD 3.27Å; D127-R130 WeakPolarHBondContact OD2-CG 3.22Å; Q128-R130 VanDerWaalsContact C-N 3.29Å
131N89.1Confident94.5Very high2 Ų229.7 Ų29.71%0.01118%0.175CC..  trans-129.3136.9-177.7-64.5-39.9000111.9R98 D102 W126 D127 D135R98-N131 WeakPolarHBondContact CB-OD1 3.22Å; R98-N131 WeakPolarHBondContact CD-OD1 3.28Å; R98-N131 VanDerWaalsContact CG-OD1 3.27Å; R98-N131 WeakPolarHBondContact CG-OD1 3.09Å; D102-N131 PolarHBondContact OD2-ND2 2.96Å; W126-N131 PolarHBondContact NE1-O 3.18Å; D127-N131 PolarHBondContact O-N 3.24Å; N131-D135 HydrophobicContact CB-CB 4.48Å
132S93.4Very high94.5Very high52 Ų5229.4 Ų29.436%0.36417%0.174SC..  trans-72.5158.1164.273.90000110.1T134 D135 I136S132-T134 PolarHBondContact O-N 3.21Å; S132-T134 PolarHBondContact OG-N 3.43Å; S132-D135 WeakPolarHBondContact CB-OD2 3.3Å; S132-D135 PolarHBondContact N-OD2 2.83Å; S132-D135 PolarHBondContact O-N 2.86Å; S132-D135 VanDerWaalsContact O-N 3.17Å; S132-D135 PolarHBondContact OG-N 2.95Å; S132-D135 PolarHBondContact OG-OD2 3.39Å; S132-I136 PolarHBondContact O-N 3.31Å
133F93.8Very high94.6Very high40 Ų4028.9 Ų28.918%0.17517%0.172CC..Hα-helixtrans-61.4-30.8169.8-177.2-89000111.4W126 D135 I136 L137 L175 I179 A183W126-F133 HydrophobicContact CH2-CB 4.17Å; W126-F133 HydrophobicContact CH2-CD2 4.43Å; W126-F133 HydrophobicContact CZ2-CB 3.86Å; F133-D135 VanDerWaalsContact C-N 3.33Å; F133-D135 PolarHBondContact O-N 3.35Å; F133-I136 WeakPolarHBondContact O-CB 3.47Å; F133-I136 PolarHBondContact O-N 2.92Å; F133-L137 HydrophobicContact CE1-CB 4.43Å; F133-L137 PolarHBondContact O-N 2.87Å; F133-L175 HydrophobicContact CD2-CD2 3.3Å; F133-L175 HydrophobicContact CE2-CD2 3.53Å; F133-L175 HydrophobicContact CG-CD2 3.93Å; F133-L175 HydrophobicContact CZ-CD2 4.33Å; F133-I179 HydrophobicContact CB-CG2 4.2Å; F133-I179 HydrophobicContact CD1-CG2 3.04Å; F133-I179 HydrophobicContact CE1-CG2 3.49Å; F133-I179 VanDerWaalsContact CE1-CG2 3.49Å; F133-I179 HydrophobicContact CG-CG2 3.81Å; F133-A183 HydrophobicContact CE1-CB 4.06Å; F133-A183 HydrophobicContact CZ-CB 4.32Å
134T94.1Very high94.7Very high38 Ų3828.4 Ų28.423%0.23317%0.168CC..Hα-helixtrans-61.2-41.6174.6-54.50000111.2M85 S132 I136 L137 R138M85-T134 HydrophobicContact CB-CG2 4.48Å; M85-T134 HydrophobicContact CG-CG2 4.1Å; S132-T134 PolarHBondContact O-N 3.21Å; S132-T134 PolarHBondContact OG-N 3.43Å; T134-I136 VanDerWaalsContact C-N 3.33Å; T134-I136 PolarHBondContact O-N 3.31Å; T134-L137 PolarHBondContact O-N 3.26Å; T134-R138 HydrophobicContact CG2-CG 4.42Å; T134-R138 WeakPolarHBondContact O-CB 3.04Å; T134-R138 VanDerWaalsContact O-CG 3.22Å; T134-R138 WeakPolarHBondContact O-CG 3.43Å; T134-R138 PolarHBondContact O-N 3.36Å
135D95.4Very high94.8Very high30 Ų3027.8 Ų27.816%0.1616%0.16CC..Hα-helixtrans-62.7-40.9176.2-61.9-50.3000111.9N131 S132 F133 R138 A139N131-D135 HydrophobicContact CB-CB 4.48Å; S132-D135 WeakPolarHBondContact CB-OD2 3.3Å; S132-D135 PolarHBondContact N-OD2 2.83Å; S132-D135 PolarHBondContact O-N 2.86Å; S132-D135 VanDerWaalsContact O-N 3.17Å; S132-D135 PolarHBondContact OG-N 2.95Å; S132-D135 PolarHBondContact OG-OD2 3.39Å; F133-D135 VanDerWaalsContact C-N 3.33Å; F133-D135 PolarHBondContact O-N 3.35Å; D135-R138 WeakPolarHBondContact O-CB 3.38Å; D135-R138 PolarHBondContact O-N 3.37Å; D135-R138 IonicContact OD1-NH1 2.91Å; D135-R138 PolarHBondContact OD1-NH1 3.12Å; D135-A139 WeakPolarHBondContact O-CB 3.48Å; D135-A139 PolarHBondContact O-N 3.2Å
136I96.7Very high94.9Very high7 Ų728.1 Ų28.14%0.03616%0.164CC..Hα-helixtrans-61.2-47.1173.6-69.6172.1000110.7A99 F104 W126 S132 F133 T134 R138 A139 I140A99-I136 HydrophobicContact CB-CG1 4.28Å; F104-I136 HydrophobicContact CB-CB 4.5Å; F104-I136 HydrophobicContact CB-CG1 4.1Å; F104-I136 HydrophobicContact CB-CG2 4.04Å; F104-I136 HydrophobicContact CD1-CG2 4.34Å; F104-I136 HydrophobicContact CD2-CD1 3.88Å; F104-I136 HydrophobicContact CD2-CG1 3.99Å; F104-I136 HydrophobicContact CE2-CD1 4.05Å; F104-I136 HydrophobicContact CG-CD1 4.14Å; F104-I136 HydrophobicContact CG-CG1 4.04Å; F104-I136 HydrophobicContact CG-CG2 4.21Å; F104-I136 HydrophobicContact CZ-CD1 4.44Å; W126-I136 HydrophobicContact CB-CD1 4.16Å; W126-I136 HydrophobicContact CD2-CD1 4.24Å; W126-I136 HydrophobicContact CG-CD1 3.66Å; S132-I136 PolarHBondContact O-N 3.31Å; F133-I136 WeakPolarHBondContact O-CB 3.47Å; F133-I136 PolarHBondContact O-N 2.92Å; T134-I136 VanDerWaalsContact C-N 3.33Å; T134-I136 PolarHBondContact O-N 3.31Å; I136-R138 VanDerWaalsContact C-N 3.33Å; I136-R138 PolarHBondContact O-N 3.45Å; I136-A139 PolarHBondContact O-N 3.08Å; I136-I140 HydrophobicContact CG2-CD1 3.84Å; I136-I140 VanDerWaalsContact O-CG1 3.3Å; I136-I140 WeakPolarHBondContact O-CG1 3.38Å; I136-I140 PolarHBondContact O-N 2.88Å
137L96.5Very high95.1Very high4 Ų428.2 Ų28.22%0.02117%0.165CC..Hα-helixtrans-62.6-40.2177.3179.759.2000111.7M85 F133 T134 I140 L141 A183M85-L137 HydrophobicContact SD-CD2 3.64Å; M85-L137 HydrophobicContact SD-CG 4Å; F133-L137 HydrophobicContact CE1-CB 4.43Å; F133-L137 PolarHBondContact O-N 2.87Å; T134-L137 PolarHBondContact O-N 3.26Å; L137-I140 PolarHBondContact O-N 2.88Å; L137-L141 HydrophobicContact CD1-CD1 4.2Å; L137-L141 HydrophobicContact CD1-CG 4.17Å; L137-L141 HydrophobicContact CG-CD1 4.09Å; L137-L141 HydrophobicContact CG-CG 4.49Å; L137-L141 WeakPolarHBondContact O-CB 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.24Å; L137-L141 PolarHBondContact O-N 3.3Å; L137-A183 HydrophobicContact CD1-CB 4.04Å; L137-A183 HydrophobicContact CD2-CB 3.98Å
138R97.3Very high95.3Very high17 Ų1724.4 Ų24.46%0.06415%0.145CC..Hα-helixtrans-59.9-46.7174.7-70.9169.878.8-140.11110.8M85 Q87 F89 D93 I96 T134 D135 I136 I140 L141 L142M85-R138 HydrophobicContact CB-CG 4.48Å; M85-R138 HydrophobicContact CG-CG 3.43Å; M85-R138 VanDerWaalsContact CG-CG 3.43Å; M85-R138 VanDerWaalsContact O-CD 3.31Å; M85-R138 WeakPolarHBondContact O-CD 3.47Å; M85-R138 VanDerWaalsContact O-CG 3.28Å; M85-R138 WeakPolarHBondContact O-CG 3.33Å; M85-R138 PolarHBondContact O-NE 2.87Å; Q87-R138 PolarHBondContact O-NH2 3.39Å; F89-R138 HydrophobicContact CE2-CB 4.17Å; F89-R138 WeakPolarHBondContact CE2-O 3.32Å; D93-R138 IonicContact OD1-CZ 3.55Å; D93-R138 IonicContact OD1-NH1 3.63Å; D93-R138 PolarHBondContact OD1-NH1 3.14Å; D93-R138 IonicContact OD1-NH2 3.77Å; D93-R138 PolarHBondContact OD1-NH2 3.06Å; D93-R138 IonicContact OD2-CZ 3.08Å; D93-R138 IonicContact OD2-NH1 3.47Å; D93-R138 PolarHBondContact OD2-NH1 3.12Å; D93-R138 IonicContact OD2-NH2 3.65Å; D93-R138 PolarHBondContact OD2-NH2 3.3Å; I96-R138 HydrophobicContact CD1-CB 3.96Å; I96-R138 HydrophobicContact CG1-CB 3.69Å; T134-R138 HydrophobicContact CG2-CG 4.42Å; T134-R138 WeakPolarHBondContact O-CB 3.04Å; T134-R138 VanDerWaalsContact O-CG 3.22Å; T134-R138 WeakPolarHBondContact O-CG 3.43Å; T134-R138 PolarHBondContact O-N 3.36Å; D135-R138 WeakPolarHBondContact O-CB 3.38Å; D135-R138 PolarHBondContact O-N 3.37Å; D135-R138 IonicContact OD1-NH1 2.91Å; D135-R138 PolarHBondContact OD1-NH1 3.12Å; I136-R138 VanDerWaalsContact C-N 3.33Å; I136-R138 PolarHBondContact O-N 3.45Å; R138-I140 PolarHBondContact O-N 2.73Å; R138-L141 PolarHBondContact O-N 2.9Å; R138-L142 VanDerWaalsContact O-CB 3.31Å; R138-L142 WeakPolarHBondContact O-CB 3.07Å; R138-L142 PolarHBondContact O-N 2.68Å
139A97.6Very high95.5Very high0 Ų027 Ų270%016%0.157CC..Hα-helixtrans-64.2-39177.800000113I96 A99 L100 F104 D135 I136 L142 S143I96-A139 HydrophobicContact CG2-CB 4.19Å; A99-A139 HydrophobicContact CB-CB 3.78Å; L100-A139 HydrophobicContact CD2-CB 4.1Å; L100-A139 HydrophobicContact CG-CB 4.05Å; F104-A139 WeakPolarHBondContact O-CB 3.36Å; D135-A139 WeakPolarHBondContact O-CB 3.48Å; D135-A139 PolarHBondContact O-N 3.2Å; I136-A139 PolarHBondContact O-N 3.08Å; A139-L142 PolarHBondContact O-N 3.1Å; A139-S143 WeakPolarHBondContact O-CB 3.32Å; A139-S143 PolarHBondContact O-N 2.89Å; A139-S143 PolarHBondContact O-OG 3.09Å
140I98.1Very high95.8Very high16 Ų1627.1 Ų27.18%0.08214%0.14CC..Hα-helixtrans-63.2-49.9174.1-67.6165.5000110.7P105 L121 I136 L137 R138 L142 S143 L144 L187P105-I140 HydrophobicContact CB-CG1 4.18Å; P105-I140 HydrophobicContact CG-CG1 4.14Å; L121-I140 HydrophobicContact CD1-CD1 4.02Å; L121-I140 HydrophobicContact CD2-CD1 3.94Å; L121-I140 HydrophobicContact CD2-CG1 4.24Å; I136-I140 HydrophobicContact CG2-CD1 3.84Å; I136-I140 VanDerWaalsContact O-CG1 3.3Å; I136-I140 WeakPolarHBondContact O-CG1 3.38Å; I136-I140 PolarHBondContact O-N 2.88Å; L137-I140 PolarHBondContact O-N 2.88Å; R138-I140 PolarHBondContact O-N 2.73Å; I140-L142 VanDerWaalsContact C-N 3.31Å; I140-L142 PolarHBondContact O-N 3.23Å; I140-S143 PolarHBondContact O-N 2.91Å; I140-L144 HydrophobicContact CG2-CD1 4.05Å; I140-L144 WeakPolarHBondContact O-CG 3.43Å; I140-L144 PolarHBondContact O-N 3.42Å; I140-L187 HydrophobicContact CG2-CD2 4.08Å
141L97.8Very high96.2Very high2 Ų226 Ų261%0.0114%0.14CC..Hα-helixtrans-61.7-40.6179-70.9171.8000111.3M85 F86 F89 L137 R138 L144 E145 L187 F191M85-L141 HydrophobicContact CE-CD1 3.89Å; M85-L141 HydrophobicContact SD-CD1 4.26Å; F86-L141 HydrophobicContact CE1-CD1 4.23Å; F86-L141 HydrophobicContact CZ-CD1 4.04Å; F89-L141 HydrophobicContact CE2-CB 4.34Å; F89-L141 HydrophobicContact CZ-CB 3.84Å; L137-L141 HydrophobicContact CD1-CD1 4.2Å; L137-L141 HydrophobicContact CD1-CG 4.17Å; L137-L141 HydrophobicContact CG-CD1 4.09Å; L137-L141 HydrophobicContact CG-CG 4.49Å; L137-L141 WeakPolarHBondContact O-CB 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.24Å; L137-L141 PolarHBondContact O-N 3.3Å; R138-L141 PolarHBondContact O-N 2.9Å; L141-L144 PolarHBondContact O-N 3.5Å; L141-E145 WeakPolarHBondContact O-CG 3.36Å; L141-E145 PolarHBondContact O-N 3.24Å; L141-L187 HydrophobicContact CD2-CD2 3.92Å; L141-F191 HydrophobicContact CD2-CD2 4.37Å
142L98.1Very high96.5Very high13 Ų1327.6 Ų27.67%0.06815%0.148CC..Hα-helixtrans-66.2-42.3178.4-176.3133.4000111.2F89 V91 I96 R138 A139 I140 L144 E145 V146 L265F89-L142 HydrophobicContact CD1-CD1 4.19Å; F89-L142 HydrophobicContact CE1-CB 3.93Å; F89-L142 HydrophobicContact CE1-CD1 4.19Å; F89-L142 HydrophobicContact CE1-CG 4.36Å; F89-L142 HydrophobicContact CE2-CB 4.13Å; F89-L142 HydrophobicContact CG-CD1 4.48Å; F89-L142 HydrophobicContact CZ-CB 3.62Å; F89-L142 HydrophobicContact CZ-CD1 4.47Å; F89-L142 HydrophobicContact CZ-CG 4.5Å; F89-L142 VanDerWaalsContact CZ-N 3.34Å; V91-L142 HydrophobicContact CB-CD2 4.37Å; I96-L142 HydrophobicContact CD1-CD1 4.19Å; I96-L142 HydrophobicContact CG2-CD1 4.39Å; I96-L142 HydrophobicContact CG2-CD2 4.36Å; R138-L142 VanDerWaalsContact O-CB 3.31Å; R138-L142 WeakPolarHBondContact O-CB 3.07Å; R138-L142 PolarHBondContact O-N 2.68Å; A139-L142 PolarHBondContact O-N 3.1Å; I140-L142 VanDerWaalsContact C-N 3.31Å; I140-L142 PolarHBondContact O-N 3.23Å; L142-L144 VanDerWaalsContact C-N 3.3Å; L142-L144 PolarHBondContact O-N 3.04Å; L142-E145 WeakPolarHBondContact O-CB 3.2Å; L142-E145 PolarHBondContact O-N 3.5Å; L142-V146 WeakPolarHBondContact O-CG2 3.29Å; L142-V146 PolarHBondContact O-N 3.21Å; L142-V146 VanDerWaalsContact O-N 3.1Å; L142-L265 HydrophobicContact CD2-CD1 4.07Å
143S98.4Very high96.7Very high0 Ų025.6 Ų25.60%013%0.133CC..Hα-helixtrans-60.4-42.2174.9-58.60000111.3P105 A139 I140 V146 L147 W261P105-S143 WeakPolarHBondContact CD-OG 3.4Å; P105-S143 WeakPolarHBondContact CG-OG 3.43Å; A139-S143 WeakPolarHBondContact O-CB 3.32Å; A139-S143 PolarHBondContact O-N 2.89Å; A139-S143 PolarHBondContact O-OG 3.09Å; I140-S143 PolarHBondContact O-N 2.91Å; S143-V146 PolarHBondContact O-N 3.25Å; S143-L147 WeakPolarHBondContact O-CB 3.12Å; S143-L147 WeakPolarHBondContact O-CG 3.4Å; S143-L147 PolarHBondContact O-N 3.44Å; S143-W261 PolarHBondContact OG-NE1 2.93Å
144L98.4Very high96.9Very high0 Ų024.1 Ų24.10%013%0.126CC..Hα-helixtrans-66.7-38.5176.2-70.7169.8000112.5L119 I140 L141 L142 V146 L147 I148 F158 L187 F191 F195L119-L144 HydrophobicContact CD1-CD2 4.34Å; L119-L144 HydrophobicContact CD2-CD2 3.85Å; L119-L144 HydrophobicContact CD2-CG 4.19Å; I140-L144 HydrophobicContact CG2-CD1 4.05Å; I140-L144 WeakPolarHBondContact O-CG 3.43Å; I140-L144 PolarHBondContact O-N 3.42Å; L141-L144 PolarHBondContact O-N 3.5Å; L142-L144 VanDerWaalsContact C-N 3.3Å; L142-L144 PolarHBondContact O-N 3.04Å; L144-V146 VanDerWaalsContact C-N 3.3Å; L144-V146 PolarHBondContact O-N 3.05Å; L144-L147 PolarHBondContact O-N 2.65Å; L144-I148 VanDerWaalsContact O-CB 3.31Å; L144-I148 WeakPolarHBondContact O-CB 3.27Å; L144-I148 VanDerWaalsContact O-CG2 3.28Å; L144-I148 WeakPolarHBondContact O-CG2 3.13Å; L144-I148 PolarHBondContact O-N 3.26Å; L144-F158 HydrophobicContact CD2-CD1 4.01Å; L144-F158 HydrophobicContact CD2-CD2 4.39Å; L144-F158 HydrophobicContact CD2-CE1 4.05Å; L144-F158 HydrophobicContact CD2-CE2 4.43Å; L144-F158 HydrophobicContact CD2-CG 4.18Å; L144-F158 HydrophobicContact CD2-CZ 4.27Å; L144-L187 HydrophobicContact CD1-CD2 3.5Å; L144-F191 VanDerWaalsContact C-CZ 3.47Å; L144-F191 HydrophobicContact CB-CD1 4.44Å; L144-F191 HydrophobicContact CB-CE1 3.66Å; L144-F191 HydrophobicContact CB-CE2 4.05Å; L144-F191 HydrophobicContact CB-CZ 3.45Å; L144-F191 VanDerWaalsContact CB-CZ 3.45Å; L144-F191 HydrophobicContact CD1-CD1 4.49Å; L144-F191 HydrophobicContact CD1-CE1 4.44Å; L144-F191 HydrophobicContact CG-CE1 4.5Å; L144-F195 HydrophobicContact CD1-CZ 4.08Å; L144-F195 HydrophobicContact CD2-CZ 4.36Å
145E97.3Very high97.1Very high30 Ų3022.3 Ų22.314%0.1412%0.115CC..Hα-helixtrans-58.8-41.6174.3-75.6-64164.900111.8R56 Y75 R79 F89 L141 L142 I148 E149 F191R56-E145 IonicContact NH1-OE2 3.6Å; Y75-E145 WeakPolarHBondContact CE2-OE1 2.94Å; Y75-E145 PolarHBondContact OH-OE1 3Å; R79-E145 IonicContact CZ-OE1 3.43Å; R79-E145 IonicContact NH2-OE1 2.78Å; R79-E145 PolarHBondContact NH2-OE1 2.95Å; F89-E145 HydrophobicContact CE1-CG 4.18Å; L141-E145 WeakPolarHBondContact O-CG 3.36Å; L141-E145 PolarHBondContact O-N 3.24Å; L142-E145 WeakPolarHBondContact O-CB 3.2Å; L142-E145 PolarHBondContact O-N 3.5Å; E145-I148 WeakPolarHBondContact O-CG2 3.44Å; E145-E149 VanDerWaalsContact O-CG 3.26Å; E145-E149 WeakPolarHBondContact O-CG 3.48Å; E145-F191 HydrophobicContact CG-CE2 3.95Å; E145-F191 VanDerWaalsContact OE1-CE2 3.24Å; E145-F191 WeakPolarHBondContact OE1-CE2 3.33Å
146V97.2Very high97.2Very high63 Ų6321.6 Ų21.638%0.38211%0.112SC..Hα-helixtrans-69.9-45.5176.91750000111L142 S143 L144 I148 E149 W261 L265L142-V146 WeakPolarHBondContact O-CG2 3.29Å; L142-V146 PolarHBondContact O-N 3.21Å; L142-V146 VanDerWaalsContact O-N 3.1Å; S143-V146 PolarHBondContact O-N 3.25Å; L144-V146 VanDerWaalsContact C-N 3.3Å; L144-V146 PolarHBondContact O-N 3.05Å; V146-I148 PolarHBondContact O-N 3.17Å; V146-E149 WeakPolarHBondContact O-CB 3.34Å; V146-E149 WeakPolarHBondContact O-CG 3.47Å; V146-E149 PolarHBondContact O-N 3.34Å; V146-W261 HydrophobicContact CG1-CH2 4.35Å; V146-L265 HydrophobicContact CB-CD2 4.19Å; V146-L265 HydrophobicContact CG1-CD2 3.82Å; V146-L265 HydrophobicContact CG2-CD2 3.99Å
147L98.1Very high97.3Very high18 Ų1821.3 Ų21.39%0.09411%0.11CC..Hα-helixtrans-67.5-38.7-176.6-70168.4000112.5V107 K117 L119 S143 L144 E149 N150 L153 F158 W261V107-L147 HydrophobicContact CG1-CD1 4.1Å; V107-L147 HydrophobicContact CG1-CD2 4.18Å; V107-L147 HydrophobicContact CG2-CD1 4.17Å; K117-L147 HydrophobicContact CG-CD1 4.23Å; K117-L147 HydrophobicContact CG-CD2 4.22Å; L119-L147 HydrophobicContact CD1-CD1 4.12Å; S143-L147 WeakPolarHBondContact O-CB 3.12Å; S143-L147 WeakPolarHBondContact O-CG 3.4Å; S143-L147 PolarHBondContact O-N 3.44Å; L144-L147 PolarHBondContact O-N 2.65Å; L147-E149 PolarHBondContact O-N 2.85Å; L147-N150 PolarHBondContact O-N 2.85Å; L147-N150 VanDerWaalsContact O-N 3.17Å; L147-L153 HydrophobicContact CB-CD1 4.08Å; L147-L153 HydrophobicContact CD2-CD1 4.31Å; L147-L153 WeakPolarHBondContact O-CD1 3.31Å; L147-F158 HydrophobicContact CB-CE1 3.76Å; L147-F158 HydrophobicContact CB-CZ 4.09Å; L147-F158 HydrophobicContact CD1-CE1 4.09Å; L147-W261 HydrophobicContact CD1-CZ2 4.42Å; L147-W261 HydrophobicContact CD2-CH2 3.69Å; L147-W261 HydrophobicContact CD2-CZ2 4.35Å; L147-W261 HydrophobicContact CD2-CZ3 4.24Å; L147-W261 HydrophobicContact CG-CH2 3.95Å; L147-W261 HydrophobicContact CG-CZ2 4.15Å
148I96.6Very high97.4Very high0 Ų021.1 Ų21.10%011%0.109CC..THydrogen-bonded Turntrans-71.4-8.5-176.9-158.4158000113.4L144 E145 V146 N150 Q154 F158 F191 P192L144-I148 VanDerWaalsContact O-CB 3.31Å; L144-I148 WeakPolarHBondContact O-CB 3.27Å; L144-I148 VanDerWaalsContact O-CG2 3.28Å; L144-I148 WeakPolarHBondContact O-CG2 3.13Å; L144-I148 PolarHBondContact O-N 3.26Å; E145-I148 WeakPolarHBondContact O-CG2 3.44Å; V146-I148 PolarHBondContact O-N 3.17Å; I148-N150 PolarHBondContact O-N 3.05Å; I148-Q154 HydrophobicContact CG1-CG 3.78Å; I148-Q154 WeakPolarHBondContact O-CG 3.48Å; I148-Q154 PolarHBondContact O-NE2 3.48Å; I148-F158 HydrophobicContact CB-CZ 4.46Å; I148-F191 HydrophobicContact CB-CE1 4.5Å; I148-F191 HydrophobicContact CB-CZ 4.4Å; I148-F191 HydrophobicContact CD1-CE1 3.76Å; I148-F191 HydrophobicContact CD1-CZ 4.29Å; I148-F191 HydrophobicContact CG2-CE1 4.49Å; I148-F191 HydrophobicContact CG2-CZ 3.97Å; I148-P192 HydrophobicContact CD1-CB 4.25Å; I148-P192 HydrophobicContact CD1-CG 3.89Å; I148-P192 VanDerWaalsContact CD1-O 3.29Å; I148-P192 WeakPolarHBondContact CD1-O 3.39Å
149E94.4Very high97.5Very high109 Ų10920.3 Ų20.351%0.50911%0.106SC..THydrogen-bonded Turntrans-63.3-26.9170.7-54.8-141.5122.400111.8R48 R56 E145 V146 L147 P151R48-E149 IonicContact NH1-OE1 2.6Å; R56-E149 IonicContact NH2-OE1 3.76Å; R56-E149 PolarHBondContact NH2-OE1 2.93Å; R56-E149 VanDerWaalsContact NH2-OE1 3.08Å; E145-E149 VanDerWaalsContact O-CG 3.26Å; E145-E149 WeakPolarHBondContact O-CG 3.48Å; V146-E149 WeakPolarHBondContact O-CB 3.34Å; V146-E149 WeakPolarHBondContact O-CG 3.47Å; V146-E149 PolarHBondContact O-N 3.34Å; L147-E149 PolarHBondContact O-N 2.85Å; E149-P151 VanDerWaalsContact O-CD 3.27Å; E149-P151 WeakPolarHBondContact O-CD 3.49Å
150N95.4Very high97.5Very high74 Ų7421.1 Ų21.140%0.39611%0.11SC..SBendtrans-73117172-175.4-14.8000110.8L147 I148 E152 L153 Q154L147-N150 PolarHBondContact O-N 2.85Å; L147-N150 VanDerWaalsContact O-N 3.17Å; I148-N150 PolarHBondContact O-N 3.05Å; N150-E152 PolarHBondContact O-N 3.34Å; N150-E152 VanDerWaalsContact OD1-CB 3.28Å; N150-E152 WeakPolarHBondContact OD1-CB 3.44Å; N150-E152 PolarHBondContact OD1-N 3.42Å; N150-L153 HydrophobicContact CB-CB 4.45Å; N150-L153 HydrophobicContact CB-CD1 4.33Å; N150-L153 HydrophobicContact CB-CG 4.12Å; N150-L153 PolarHBondContact O-N 3.17Å; N150-Q154 PolarHBondContact O-N 2.78Å
151P95.8Very high97.5Very high31 Ų3120.3 Ų20.320%0.20111%0.106CC..Hα-helixtrans-56.3-33.3178.7-27.638.1000114.2L8 E149 L153 Q154 I155L8-P151 HydrophobicContact CD2-CB 3.53Å; L8-P151 HydrophobicContact CG-CB 4.2Å; E149-P151 VanDerWaalsContact O-CD 3.27Å; E149-P151 WeakPolarHBondContact O-CD 3.49Å; P151-L153 VanDerWaalsContact C-N 3.28Å; P151-L153 PolarHBondContact O-N 3.47Å; P151-Q154 WeakPolarHBondContact O-CB 3.29Å; P151-Q154 PolarHBondContact O-N 3.39Å; P151-I155 PolarHBondContact O-N 2.87Å
152E96.6Very high97.6Very high35 Ų3521.2 Ų21.216%0.16411%0.111CC..Hα-helixtrans-58.8-40.3175.8-73.4-77.5162.600111.4L8 S9 T12 N150 Q154 I155 N156L8-E152 HydrophobicContact CD2-CG 4.33Å; S9-E152 WeakPolarHBondContact CB-OE1 3.5Å; S9-E152 PolarHBondContact N-OE1 2.62Å; S9-E152 PolarHBondContact OG-OE1 2.94Å; T12-E152 VanDerWaalsContact CB-OE1 3.3Å; T12-E152 WeakPolarHBondContact CB-OE1 3.4Å; T12-E152 WeakPolarHBondContact CB-OE2 3.38Å; T12-E152 WeakPolarHBondContact CG2-OE2 3.44Å; T12-E152 PolarHBondContact OG1-OE1 3.46Å; T12-E152 VanDerWaalsContact OG1-OE1 3.13Å; T12-E152 PolarHBondContact OG1-OE2 3.45Å; N150-E152 PolarHBondContact O-N 3.34Å; N150-E152 VanDerWaalsContact OD1-CB 3.28Å; N150-E152 WeakPolarHBondContact OD1-CB 3.44Å; N150-E152 PolarHBondContact OD1-N 3.42Å; E152-Q154 VanDerWaalsContact C-N 3.35Å; E152-I155 PolarHBondContact O-N 2.82Å; E152-N156 WeakPolarHBondContact O-CB 3.33Å; E152-N156 PolarHBondContact O-N 3.24Å; E152-N156 PolarHBondContact O-ND2 2.93Å; E152-N156 PolarHBondContact OE2-ND2 2.67Å; E152-N156 VanDerWaalsContact OE2-ND2 3.16Å
153L97.5Very high97.6Very high10 Ų1021.2 Ų21.25%0.05211%0.111CC..Hα-helixtrans-77.1-22.3-178.4-60.7-171000112.9K117 L147 N150 P151 I155 G157 F158K117-L153 HydrophobicContact CB-CD1 3.81Å; K117-L153 HydrophobicContact CB-CD2 3.75Å; K117-L153 HydrophobicContact CB-CG 4.44Å; K117-L153 HydrophobicContact CG-CD1 4.18Å; L147-L153 HydrophobicContact CB-CD1 4.08Å; L147-L153 HydrophobicContact CD2-CD1 4.31Å; L147-L153 WeakPolarHBondContact O-CD1 3.31Å; N150-L153 HydrophobicContact CB-CB 4.45Å; N150-L153 HydrophobicContact CB-CD1 4.33Å; N150-L153 HydrophobicContact CB-CG 4.12Å; N150-L153 PolarHBondContact O-N 3.17Å; P151-L153 VanDerWaalsContact C-N 3.28Å; P151-L153 PolarHBondContact O-N 3.47Å; L153-I155 PolarHBondContact O-N 2.83Å; L153-G157 WeakPolarHBondContact O-CA 3.42Å; L153-G157 PolarHBondContact O-N 3.04Å; L153-F158 HydrophobicContact CB-CE1 4.37Å; L153-F158 HydrophobicContact CB-CZ 3.96Å; L153-F158 HydrophobicContact CD1-CE1 4.06Å; L153-F158 HydrophobicContact CD1-CZ 4.36Å
154Q98Very high97.5Very high9 Ų922.2 Ų22.24%0.04212%0.115CC..Hα-helixtrans-65.7-31.9170.5-58.4169.417.100111.1R56 R59 I148 N150 P151 E152 R194R56-Q154 HydrophobicContact CG-CG 4.33Å; R59-Q154 HydrophobicContact CB-CB 4.45Å; I148-Q154 HydrophobicContact CG1-CG 3.78Å; I148-Q154 WeakPolarHBondContact O-CG 3.48Å; I148-Q154 PolarHBondContact O-NE2 3.48Å; N150-Q154 PolarHBondContact O-N 2.78Å; P151-Q154 WeakPolarHBondContact O-CB 3.29Å; P151-Q154 PolarHBondContact O-N 3.39Å; E152-Q154 VanDerWaalsContact C-N 3.35Å; Q154-R194 WeakPolarHBondContact O-CD 2.83Å
155I97.9Very high97.4Very high0 Ų023.8 Ų23.80%013%0.126CC..Hα-helixtrans-95-42.9-176.9-63.5156.1000111.9L8 T12 K15 A16 L20 P151 E152 L153 R194L8-I155 HydrophobicContact CD1-CD1 3.62Å; L8-I155 HydrophobicContact CD2-CD1 3.51Å; L8-I155 HydrophobicContact CG-CD1 4.23Å; T12-I155 HydrophobicContact CG2-CB 3.74Å; T12-I155 HydrophobicContact CG2-CD1 3.62Å; T12-I155 HydrophobicContact CG2-CG1 4.29Å; T12-I155 HydrophobicContact CG2-CG2 3.64Å; K15-I155 HydrophobicContact CB-CG2 4.38Å; K15-I155 HydrophobicContact CD-CG2 4.31Å; K15-I155 HydrophobicContact CG-CG2 4.21Å; A16-I155 HydrophobicContact CB-CD1 3.8Å; A16-I155 HydrophobicContact CB-CG1 4Å; A16-I155 HydrophobicContact CB-CG2 4.04Å; L20-I155 HydrophobicContact CD1-CB 4.3Å; L20-I155 HydrophobicContact CD1-CG1 3.92Å; L20-I155 HydrophobicContact CD1-CG2 4.16Å; P151-I155 PolarHBondContact O-N 2.87Å; E152-I155 PolarHBondContact O-N 2.82Å; L153-I155 PolarHBondContact O-N 2.83Å; I155-R194 PolarHBondContact O-NH1 3.43Å
156N98.1Very high97.3Very high16 Ų1629.3 Ų29.39%0.08616%0.156CC..Hα-helixtrans-78.9-44.7179.9-65.9-34.8000110.9K15 G115 R116 E152 R194K15-N156 WeakPolarHBondContact CD-OD1 3.3Å; K15-N156 PolarHBondContact NZ-OD1 3.08Å; G115-N156 WeakPolarHBondContact O-CB 3.37Å; R116-N156 WeakPolarHBondContact CG-O 3.43Å; E152-N156 WeakPolarHBondContact O-CB 3.33Å; E152-N156 PolarHBondContact O-N 3.24Å; E152-N156 PolarHBondContact O-ND2 2.93Å; E152-N156 PolarHBondContact OE2-ND2 2.67Å; E152-N156 VanDerWaalsContact OE2-ND2 3.16Å; N156-R194 PolarHBondContact O-NH1 2.67Å
157G98.2Very high97.2Very high0 Ų026.9 Ų26.90%014%0.141CC..  trans90.8-156.3179.500000113.5R116 K117 L153 R194R116-G157 VanDerWaalsContact CA-O 3.27Å; R116-G157 WeakPolarHBondContact CA-O 3.36Å; K117-G157 PolarHBondContact N-O 3Å; L153-G157 WeakPolarHBondContact O-CA 3.42Å; L153-G157 PolarHBondContact O-N 3.04Å; G157-R194 CarbonylContact C-O 3.57Å; G157-R194 WeakPolarHBondContact CA-O 3.36Å
158F98.7Very high97Very high1 Ų128.1 Ų28.10%0.00415%0.151CC..EExtended strand (participates in β ladder)trans-132.8155.3-167.8-59.4-87000112.1K117 L119 L144 L147 I148 L153 A193 R194 F195 G196K117-F158 HydrophobicContact CB-CD1 3.86Å; K117-F158 HydrophobicContact CB-CE1 4.06Å; K117-F158 HydrophobicContact CG-CD1 4.45Å; K117-F158 HydrophobicContact CG-CE1 4.5Å; K117-F158 CarbonylContact O-C 3.56Å; K117-F158 VanDerWaalsContact O-CA 3.26Å; K117-F158 WeakPolarHBondContact O-CA 3.48Å; L119-F158 HydrophobicContact CD1-CB 4.45Å; L119-F158 HydrophobicContact CD1-CD1 3.69Å; L119-F158 HydrophobicContact CD1-CE1 4.47Å; L119-F158 HydrophobicContact CD1-CG 4.47Å; L144-F158 HydrophobicContact CD2-CD1 4.01Å; L144-F158 HydrophobicContact CD2-CD2 4.39Å; L144-F158 HydrophobicContact CD2-CE1 4.05Å; L144-F158 HydrophobicContact CD2-CE2 4.43Å; L144-F158 HydrophobicContact CD2-CG 4.18Å; L144-F158 HydrophobicContact CD2-CZ 4.27Å; L147-F158 HydrophobicContact CB-CE1 3.76Å; L147-F158 HydrophobicContact CB-CZ 4.09Å; L147-F158 HydrophobicContact CD1-CE1 4.09Å; I148-F158 HydrophobicContact CB-CZ 4.46Å; L153-F158 HydrophobicContact CB-CE1 4.37Å; L153-F158 HydrophobicContact CB-CZ 3.96Å; L153-F158 HydrophobicContact CD1-CE1 4.06Å; L153-F158 HydrophobicContact CD1-CZ 4.36Å; F158-A193 HydrophobicContact CD2-CB 3.85Å; F158-A193 HydrophobicContact CE2-CB 4.05Å; F158-R194 PolarHBondContact N-O 3.23Å; F158-F195 HydrophobicContact CB-CD1 3.92Å; F158-F195 HydrophobicContact CB-CE1 3.88Å; F158-F195 CarbonylContact O-C 3.58Å; F158-F195 WeakPolarHBondContact O-CA 3.5Å; F158-G196 PolarHBondContact O-N 2.67Å
159I98.7Very high96.7Very high0 Ų034.8 Ų34.80%018%0.18CC..EExtended strand (participates in β ladder)trans-117.5142.4165.1-69.6-58.3000107.9R116 K117 I118 L119 I161 G197 I240R116-I159 HydrophobicContact CB-CG1 4.05Å; R116-I159 VanDerWaalsContact CZ-CD1 3.4Å; K117-I159 PolarHBondContact O-N 2.95Å; I118-I159 HydrophobicContact CG1-CB 4.14Å; I118-I159 HydrophobicContact CG1-CG2 4.47Å; I118-I159 HydrophobicContact CG2-CG2 4.24Å; L119-I159 PolarHBondContact N-O 2.8Å; I159-I161 HydrophobicContact CG2-CG1 3.93Å; I159-G197 VanDerWaalsContact CD1-N 3.26Å; I159-I240 HydrophobicContact CG2-CD1 3.77Å
160L98.7Very high96.5Very high16 Ų1636.7 Ų36.78%0.08419%0.187CC..EExtended strand (participates in β ladder)trans-115.6123.7169.4-179.160.7000109.1L119 L121 I162 F195 G197 I198 H199L119-L160 HydrophobicContact CB-CD1 3.95Å; L119-L160 CarbonylContact O-C 3.59Å; L119-L160 WeakPolarHBondContact O-CA 3.04Å; L121-L160 HydrophobicContact CD1-CD1 4.01Å; L121-L160 HydrophobicContact CG-CD1 3.94Å; L160-I162 HydrophobicContact CD1-CG1 4.47Å; L160-I162 HydrophobicContact CD2-CD1 4.04Å; L160-I162 HydrophobicContact CD2-CG1 4.24Å; L160-I162 HydrophobicContact CG-CD1 4.34Å; L160-I162 HydrophobicContact CG-CG1 3.98Å; L160-F195 HydrophobicContact CB-CD1 4.49Å; L160-F195 HydrophobicContact CB-CE1 4.43Å; L160-G197 PolarHBondContact N-O 3.33Å; L160-I198 HydrophobicContact CB-CG1 4.34Å; L160-I198 HydrophobicContact CB-CG2 4.35Å; L160-I198 HydrophobicContact CD2-CG2 4.16Å; L160-I198 HydrophobicContact CG-CG2 4.42Å; L160-I198 CarbonylContact O-C 3.51Å; L160-I198 VanDerWaalsContact O-CA 3.3Å; L160-I198 WeakPolarHBondContact O-CA 3.4Å; L160-H199 PolarHBondContact O-N 2.6Å
161I98.7Very high96.4Very high0 Ų034.1 Ų34.10%017%0.172CC..EExtended strand (participates in β ladder)trans-110.4128.7170.9-54-179.9000107.7I118 L119 I120 L121 I159 H199 V201 I240 L245 F249I118-I161 HydrophobicContact CG2-CD1 3.74Å; I118-I161 HydrophobicContact CG2-CG1 4.04Å; L119-I161 PolarHBondContact O-N 2.83Å; I120-I161 CarbonylContact C-O 3.55Å; I120-I161 WeakPolarHBondContact CA-O 3.08Å; L121-I161 PolarHBondContact N-O 3.46Å; I159-I161 HydrophobicContact CG2-CG1 3.93Å; I161-H199 CarbonylContact C-O 3.38Å; I161-H199 WeakPolarHBondContact CA-O 3.33Å; I161-H199 HydrophobicContact CG1-CB 4.31Å; I161-V201 HydrophobicContact CG2-CG1 4.48Å; I161-V201 HydrophobicContact CG2-CG2 4.39Å; I161-I240 HydrophobicContact CD1-CD1 3.87Å; I161-I240 HydrophobicContact CG1-CD1 4.29Å; I161-L245 HydrophobicContact CD1-CD2 3.58Å; I161-F249 HydrophobicContact CG2-CD1 4.1Å; I161-F249 HydrophobicContact CG2-CE1 3.73Å; I161-F249 HydrophobicContact CG2-CE2 4.43Å; I161-F249 HydrophobicContact CG2-CZ 3.92Å
162I98.3Very high96.2Very high21 Ų2133.1 Ų33.111%0.10817%0.166CC..EExtended strand (participates in β ladder)trans-119.1111.1176.7-47.8-173.8000107.8L121 L160 W164 H199 F200 V201L121-I162 HydrophobicContact CB-CG1 4.4Å; L121-I162 HydrophobicContact CB-CG2 4.22Å; L121-I162 HydrophobicContact CD1-CD1 4.15Å; L121-I162 HydrophobicContact CD1-CG1 4.14Å; L121-I162 CarbonylContact O-C 3.49Å; L121-I162 WeakPolarHBondContact O-CA 3.47Å; L160-I162 HydrophobicContact CD1-CG1 4.47Å; L160-I162 HydrophobicContact CD2-CD1 4.04Å; L160-I162 HydrophobicContact CD2-CG1 4.24Å; L160-I162 HydrophobicContact CG-CD1 4.34Å; L160-I162 HydrophobicContact CG-CG1 3.98Å; I162-W164 HydrophobicContact CG2-CD2 4.11Å; I162-W164 HydrophobicContact CG2-CG 4.4Å; I162-W164 HydrophobicContact CG2-CZ2 3.86Å; I162-W164 VanDerWaalsContact O-CD1 3.28Å; I162-H199 PolarHBondContact N-O 3.44Å; I162-F200 HydrophobicContact CB-CD1 4.29Å; I162-F200 HydrophobicContact CD1-CD1 4.17Å; I162-F200 HydrophobicContact CD1-CE1 3.59Å; I162-F200 HydrophobicContact CD1-CZ 4.16Å; I162-F200 HydrophobicContact CG1-CD1 4.33Å; I162-F200 HydrophobicContact CG1-CE1 4.23Å; I162-V201 PolarHBondContact O-N 3.17Å
163D98.2Very high95.9Very high13 Ų1334.9 Ų34.97%0.0718%0.183CC..EExtended strand (participates in β ladder)trans-84.9118.6169.7-166.1-7.1000109.8L121 F122 A123 S165 V201 N202 F249L121-D163 PolarHBondContact O-N 2.83Å; F122-D163 HydrophobicContact CD1-CB 3.86Å; F122-D163 HydrophobicContact CE1-CB 4.33Å; A123-D163 WeakPolarHBondContact CB-O 3.46Å; A123-D163 PolarHBondContact N-O 3.17Å; D163-S165 VanDerWaalsContact OD1-CB 3.22Å; D163-S165 WeakPolarHBondContact OD1-CB 3.44Å; D163-S165 PolarHBondContact OD1-N 2.79Å; D163-S165 PolarHBondContact OD1-OG 2.97Å; D163-V201 HydrophobicContact CB-CG2 3.94Å; D163-N202 PolarHBondContact OD1-ND2 2.86Å; D163-F249 HydrophobicContact CB-CE1 3.92Å; D163-F249 HydrophobicContact CB-CZ 4.23Å
164W97.5Very high95.6Very high20 Ų2039.8 Ų39.88%0.07620%0.204CC..  trans-99.66.6179.5-65.693.2000112.8A123 I162 N166 F167 F200 V201 N202 Q203 I207A123-W164 HydrophobicContact CB-CD2 4.48Å; A123-W164 HydrophobicContact CB-CE3 4.02Å; A123-W164 HydrophobicContact CB-CZ3 4.42Å; I162-W164 HydrophobicContact CG2-CD2 4.11Å; I162-W164 HydrophobicContact CG2-CG 4.4Å; I162-W164 HydrophobicContact CG2-CZ2 3.86Å; I162-W164 VanDerWaalsContact O-CD1 3.28Å; W164-N166 PolarHBondContact O-N 3.37Å; W164-F167 HydrophobicContact CE3-CB 4.07Å; W164-F167 AromaticContact CE3-CD1 3.5Å; W164-F167 HydrophobicContact CE3-CD1 3.5Å; W164-F167 VanDerWaalsContact CE3-CD1 3.5Å; W164-F167 HydrophobicContact CE3-CD2 4.29Å; W164-F167 AromaticContact CE3-CE1 3.91Å; W164-F167 HydrophobicContact CE3-CE1 3.91Å; W164-F167 AromaticContact CE3-CG 3.71Å; W164-F167 HydrophobicContact CE3-CG 3.71Å; W164-F167 HydrophobicContact CE3-CZ 4.44Å; W164-F167 AromaticContact CZ3-CD1 3.6Å; W164-F167 HydrophobicContact CZ3-CD1 3.6Å; W164-F167 HydrophobicContact CZ3-CD2 4.39Å; W164-F167 AromaticContact CZ3-CE1 3.47Å; W164-F167 HydrophobicContact CZ3-CE1 3.47Å; W164-F167 VanDerWaalsContact CZ3-CE1 3.47Å; W164-F167 HydrophobicContact CZ3-CE2 4.25Å; W164-F167 HydrophobicContact CZ3-CG 4.07Å; W164-F167 AromaticContact CZ3-CZ 3.81Å; W164-F167 HydrophobicContact CZ3-CZ 3.81Å; W164-F167 WeakPolarHBondContact O-CB 3.34Å; W164-F167 PolarHBondContact O-N 2.93Å; W164-F200 AromaticContact CE2-CD2 3.87Å; W164-F200 AromaticContact CE2-CE2 3.98Å; W164-F200 HydrophobicContact CZ2-CD2 4.09Å; W164-F200 AromaticContact CZ2-CE2 3.69Å; W164-F200 HydrophobicContact CZ2-CE2 3.69Å; W164-F200 HydrophobicContact CZ2-CZ 4.05Å; W164-F200 AromaticContact NE1-CD1 3.99Å; W164-F200 AromaticContact NE1-CD2 3.25Å; W164-F200 AromaticContact NE1-CE2 3.78Å; W164-F200 AromaticContact NE1-CG 3.37Å; W164-V201 PolarHBondContact N-O 3.44Å; W164-N202 CarbonylContact C-O 3.55Å; W164-Q203 HydrophobicContact CB-CB 3.93Å; W164-Q203 HydrophobicContact CG-CB 3.78Å; W164-I207 HydrophobicContact CD2-CD1 3.96Å; W164-I207 HydrophobicContact CD2-CG1 3.9Å; W164-I207 HydrophobicContact CD2-CG2 4.3Å; W164-I207 HydrophobicContact CE3-CD1 3.39Å; W164-I207 HydrophobicContact CE3-CG1 3.81Å; W164-I207 HydrophobicContact CG-CG1 4.35Å; W164-I207 HydrophobicContact CH2-CD1 3.85Å; W164-I207 HydrophobicContact CZ2-CD1 4.36Å; W164-I207 HydrophobicContact CZ2-CG2 4.05Å; W164-I207 HydrophobicContact CZ3-CD1 3.34Å; W164-I207 HydrophobicContact CZ3-CG1 4.21Å
165S96.1Very high95.3Very high34 Ų3440.2 Ų40.224%0.23821%0.206CC..THydrogen-bonded Turntrans-50.3131.8172.9-62.60000110.3S124 D163 F167 N202S124-S165 WeakPolarHBondContact CB-O 3.43Å; D163-S165 VanDerWaalsContact OD1-CB 3.22Å; D163-S165 WeakPolarHBondContact OD1-CB 3.44Å; D163-S165 PolarHBondContact OD1-N 2.79Å; D163-S165 PolarHBondContact OD1-OG 2.97Å; S165-F167 PolarHBondContact O-N 3.34Å; S165-N202 WeakPolarHBondContact OG-CB 3.32Å; S165-N202 VanDerWaalsContact OG-CG 3.3Å; S165-N202 PolarHBondContact OG-ND2 3.35Å
166N94.8Very high95Very high145 Ų14543 Ų4378%0.77522%0.223SC*.THydrogen-bonded Turntrans56.213.4-179.9-53.3-49.8000115.4W164 S168W164-N166 PolarHBondContact O-N 3.37Å; N166-S168 PolarHBondContact O-N 3.42Å
167F95.3Very high94.7Very high13 Ų1345 Ų456%0.05724%0.237CC..  trans-64.1133167.4-166.9-114.2000108.5A123 W126 W164 S165 Q171 A172 L175 Y206 I207A123-F167 HydrophobicContact CB-CB 4.28Å; A123-F167 HydrophobicContact CB-CD2 3.54Å; A123-F167 HydrophobicContact CB-CE2 4.05Å; A123-F167 HydrophobicContact CB-CG 4.11Å; W126-F167 AromaticContact CE3-CE2 3.98Å; W126-F167 HydrophobicContact CE3-CE2 3.98Å; W126-F167 HydrophobicContact CE3-CZ 4.34Å; W126-F167 HydrophobicContact CZ3-CE2 4.44Å; W126-F167 HydrophobicContact CZ3-CZ 4.34Å; W164-F167 HydrophobicContact CE3-CB 4.07Å; W164-F167 AromaticContact CE3-CD1 3.5Å; W164-F167 HydrophobicContact CE3-CD1 3.5Å; W164-F167 VanDerWaalsContact CE3-CD1 3.5Å; W164-F167 HydrophobicContact CE3-CD2 4.29Å; W164-F167 AromaticContact CE3-CE1 3.91Å; W164-F167 HydrophobicContact CE3-CE1 3.91Å; W164-F167 AromaticContact CE3-CG 3.71Å; W164-F167 HydrophobicContact CE3-CG 3.71Å; W164-F167 HydrophobicContact CE3-CZ 4.44Å; W164-F167 AromaticContact CZ3-CD1 3.6Å; W164-F167 HydrophobicContact CZ3-CD1 3.6Å; W164-F167 HydrophobicContact CZ3-CD2 4.39Å; W164-F167 AromaticContact CZ3-CE1 3.47Å; W164-F167 HydrophobicContact CZ3-CE1 3.47Å; W164-F167 VanDerWaalsContact CZ3-CE1 3.47Å; W164-F167 HydrophobicContact CZ3-CE2 4.25Å; W164-F167 HydrophobicContact CZ3-CG 4.07Å; W164-F167 AromaticContact CZ3-CZ 3.81Å; W164-F167 HydrophobicContact CZ3-CZ 3.81Å; W164-F167 WeakPolarHBondContact O-CB 3.34Å; W164-F167 PolarHBondContact O-N 2.93Å; S165-F167 PolarHBondContact O-N 3.34Å; F167-Q171 HydrophobicContact CD2-CB 3.81Å; F167-Q171 HydrophobicContact CD2-CG 4.43Å; F167-Q171 HydrophobicContact CE1-CB 4.12Å; F167-Q171 HydrophobicContact CE2-CB 3.25Å; F167-Q171 HydrophobicContact CE2-CG 4.11Å; F167-Q171 HydrophobicContact CG-CB 4.48Å; F167-Q171 HydrophobicContact CZ-CB 3.42Å; F167-Q171 VanDerWaalsContact CZ-CB 3.42Å; F167-A172 HydrophobicContact CD1-CB 4.45Å; F167-A172 HydrophobicContact CE1-CB 3.73Å; F167-L175 HydrophobicContact CE1-CD1 4.38Å; F167-L175 HydrophobicContact CZ-CD1 3.88Å; F167-Y206 HydrophobicContact CD1-CE2 4.14Å; F167-Y206 PolarHBondContact O-OH 2.66Å; F167-I207 HydrophobicContact CD1-CD1 4.04Å; F167-I207 HydrophobicContact CE1-CD1 4.16Å
168S93.6Very high94.5Very high44 Ų4451 Ų5131%0.30827%0.27SS..  trans-100.7155.4-17468.30000111.5N166 K170 Q171 A172N166-S168 PolarHBondContact O-N 3.42Å; S168-K170 PolarHBondContact O-N 2.77Å; S168-Q171 PolarHBondContact O-N 2.97Å; S168-Q171 WeakPolarHBondContact OG-CG 3.38Å; S168-Q171 PolarHBondContact OG-N 2.78Å; S168-Q171 VanDerWaalsContact OG-N 3.15Å; S168-Q171 PolarHBondContact OG-OE1 3.12Å; S168-A172 PolarHBondContact O-N 2.68Å
169F90.7Very high94.1Very high139 Ų13953.3 Ų53.361%0.6128%0.281SS*.Hα-helixtrans-60.6-30.4171.8-169.2-97.1000112.4Q171 A172 S173 Y206F169-Q171 VanDerWaalsContact C-N 3.32Å; F169-Q171 PolarHBondContact O-N 2.84Å; F169-A172 PolarHBondContact O-N 3.41Å; F169-S173 PolarHBondContact O-N 2.87Å; F169-Y206 HydrophobicContact CD2-CD1 4.44Å; F169-Y206 HydrophobicContact CD2-CG 4.41Å
170K90.8Very high93.9Very high150 Ų15054.2 Ų54.265%0.65229%0.286SS*.Hα-helixtrans-64.2-36173.6-175.8-176.6174.3-172.30111.7Q128 S168 S173Q128-K170 PolarHBondContact NE2-O 3.43Å; S168-K170 PolarHBondContact O-N 2.77Å; K170-S173 PolarHBondContact O-OG 2.92Å
171Q93.1Very high93.8Very high19 Ų1957.1 Ų57.19%0.08930%0.298CS..Hα-helixtrans-70.9-45.5171.1-68157.1-5100111.6W126 Q128 F167 S168 F169 S173 K174W126-Q171 HydrophobicContact CE3-CB 4Å; W126-Q171 HydrophobicContact CE3-CG 4.26Å; W126-Q171 HydrophobicContact CZ3-CB 4.15Å; W126-Q171 WeakPolarHBondContact CZ3-O 3.44Å; W126-Q171 PolarHBondContact O-NE2 3.32Å; Q128-Q171 VanDerWaalsContact NE2-CG 3.29Å; F167-Q171 HydrophobicContact CD2-CB 3.81Å; F167-Q171 HydrophobicContact CD2-CG 4.43Å; F167-Q171 HydrophobicContact CE1-CB 4.12Å; F167-Q171 HydrophobicContact CE2-CB 3.25Å; F167-Q171 HydrophobicContact CE2-CG 4.11Å; F167-Q171 HydrophobicContact CG-CB 4.48Å; F167-Q171 HydrophobicContact CZ-CB 3.42Å; F167-Q171 VanDerWaalsContact CZ-CB 3.42Å; S168-Q171 PolarHBondContact O-N 2.97Å; S168-Q171 WeakPolarHBondContact OG-CG 3.38Å; S168-Q171 PolarHBondContact OG-N 2.78Å; S168-Q171 VanDerWaalsContact OG-N 3.15Å; S168-Q171 PolarHBondContact OG-OE1 3.12Å; F169-Q171 VanDerWaalsContact C-N 3.32Å; F169-Q171 PolarHBondContact O-N 2.84Å; Q171-S173 VanDerWaalsContact C-N 3.26Å; Q171-S173 PolarHBondContact O-N 3.46Å; Q171-K174 PolarHBondContact O-N 2.83Å; Q171-K174 VanDerWaalsContact O-N 3.13Å
172A91.6Very high93.6Very high10 Ų1059.1 Ų59.18%0.08331%0.307CS..Hα-helixtrans-56-39.9177.100000113F167 S168 F169 K174 L175 Y206 M210F167-A172 HydrophobicContact CD1-CB 4.45Å; F167-A172 HydrophobicContact CE1-CB 3.73Å; S168-A172 PolarHBondContact O-N 2.68Å; F169-A172 PolarHBondContact O-N 3.41Å; A172-K174 PolarHBondContact O-N 2.95Å; A172-L175 WeakPolarHBondContact O-CB 3.23Å; A172-L175 PolarHBondContact O-N 2.99Å; A172-L175 VanDerWaalsContact O-N 3.08Å; A172-Y206 HydrophobicContact CB-CD2 4.09Å; A172-Y206 HydrophobicContact CB-CE2 3.95Å; A172-M210 HydrophobicContact CB-CE 3.74Å
173S89.4Confident93.5Very high72 Ų7258.7 Ų58.750%0.50331%0.307SS..THydrogen-bonded Turntrans-67.4-16.1-177.7720000114.7F169 K170 Q171F169-S173 PolarHBondContact O-N 2.87Å; K170-S173 PolarHBondContact O-OG 2.92Å; Q171-S173 VanDerWaalsContact C-N 3.26Å; Q171-S173 PolarHBondContact O-N 3.46Å
174K90.9Very high93.4Very high113 Ų11359 Ų5949%0.49131%0.308SS..THydrogen-bonded Turntrans-86.7-14.4174-63.6-54.4-173.7173.30113.5W126 Q128 Q171 A172 T176W126-K174 HydrophobicContact CH2-CB 3.68Å; W126-K174 HydrophobicContact CZ2-CB 4.38Å; W126-K174 HydrophobicContact CZ3-CB 4.46Å; Q128-K174 HydrophobicContact CG-CG 4.3Å; Q171-K174 PolarHBondContact O-N 2.83Å; Q171-K174 VanDerWaalsContact O-N 3.13Å; A172-K174 PolarHBondContact O-N 2.95Å; K174-T176 VanDerWaalsContact C-N 3.29Å; K174-T176 PolarHBondContact O-N 2.87Å
175L91.6Very high93.4Very high19 Ų1960.5 Ų60.510%0.09932%0.316CS..  trans-80.777.8176.5-62-178.4000110.1W126 F133 F167 A172 L180 M210W126-L175 HydrophobicContact CH2-CD2 3.73Å; W126-L175 HydrophobicContact CH2-CG 4.27Å; W126-L175 HydrophobicContact CZ3-CD1 4.48Å; W126-L175 HydrophobicContact CZ3-CD2 3.64Å; W126-L175 HydrophobicContact CZ3-CG 3.91Å; F133-L175 HydrophobicContact CD2-CD2 3.3Å; F133-L175 HydrophobicContact CE2-CD2 3.53Å; F133-L175 HydrophobicContact CG-CD2 3.93Å; F133-L175 HydrophobicContact CZ-CD2 4.33Å; F167-L175 HydrophobicContact CE1-CD1 4.38Å; F167-L175 HydrophobicContact CZ-CD1 3.88Å; A172-L175 WeakPolarHBondContact O-CB 3.23Å; A172-L175 PolarHBondContact O-N 2.99Å; A172-L175 VanDerWaalsContact O-N 3.08Å; L175-L180 HydrophobicContact CB-CD1 4.16Å; L175-L180 HydrophobicContact CB-CD2 4.19Å; L175-L180 HydrophobicContact CB-CG 4.27Å; L175-L180 HydrophobicContact CD2-CD2 4.44Å; L175-M210 HydrophobicContact CB-CE 4.1Å; L175-M210 HydrophobicContact CB-SD 4.1Å; L175-M210 HydrophobicContact CD1-CE 3.86Å; L175-M210 HydrophobicContact CD1-SD 3.6Å; L175-M210 VanDerWaalsContact CD1-SD 3.6Å; L175-M210 HydrophobicContact CG-SD 4.5Å
176T92.2Very high93.4Very high57 Ų5758.9 Ų58.935%0.3531%0.305SS..  trans-69.8152.7178.872.80000111.6K174 N178 I179 L180K174-T176 VanDerWaalsContact C-N 3.29Å; K174-T176 PolarHBondContact O-N 2.87Å; T176-N178 PolarHBondContact O-N 3.34Å; T176-I179 PolarHBondContact O-N 2.93Å; T176-I179 VanDerWaalsContact O-N 3.16Å; T176-I179 WeakPolarHBondContact OG1-CG1 3.28Å; T176-I179 PolarHBondContact OG1-N 3.5Å; T176-L180 WeakPolarHBondContact O-CG 3.47Å; T176-L180 PolarHBondContact O-N 3.47Å
177P92.4Very high93.5Very high60 Ų6053.6 Ų53.639%0.3928%0.277SS..Hα-helixtrans-54.6-37.5177.7-26.533.8000113.7L180 K181 I213P177-L180 PolarHBondContact O-N 3.04Å; P177-K181 VanDerWaalsContact O-CB 3.23Å; P177-K181 WeakPolarHBondContact O-CB 3.41Å; P177-K181 PolarHBondContact O-N 3.29Å; P177-I213 HydrophobicContact CB-CG2 4.13Å; P177-I213 HydrophobicContact CG-CG2 3.86Å
178N92.6Very high93.5Very high126 Ų12654.4 Ų54.467%0.67428%0.28SS*.Hα-helixtrans-65.4-44.9179.4-71.4-5.9000111.9T176 K181 Q182T176-N178 PolarHBondContact O-N 3.34Å; N178-K181 PolarHBondContact O-N 2.92Å; N178-Q182 PolarHBondContact O-N 3.27Å
179I92Very high93.5Very high48 Ų4853.6 Ų53.625%0.24627%0.273CS..Hα-helixtrans-64.8-43.1178.1-69.9173.7000110.6F133 T176 K181 Q182 A183F133-I179 HydrophobicContact CB-CG2 4.2Å; F133-I179 HydrophobicContact CD1-CG2 3.04Å; F133-I179 HydrophobicContact CE1-CG2 3.49Å; F133-I179 VanDerWaalsContact CE1-CG2 3.49Å; F133-I179 HydrophobicContact CG-CG2 3.81Å; T176-I179 PolarHBondContact O-N 2.93Å; T176-I179 VanDerWaalsContact O-N 3.16Å; T176-I179 WeakPolarHBondContact OG1-CG1 3.28Å; T176-I179 PolarHBondContact OG1-N 3.5Å; I179-K181 VanDerWaalsContact C-N 3.34Å; I179-Q182 PolarHBondContact O-N 3.35Å; I179-A183 PolarHBondContact O-N 2.94Å
180L94.4Very high93.8Very high20 Ų2047 Ų4711%0.10524%0.244CC..Hα-helixtrans-65.5-38.7176.9-66.8173.2000111.8L175 T176 P177 A183 I184 M210 I214L175-L180 HydrophobicContact CB-CD1 4.16Å; L175-L180 HydrophobicContact CB-CD2 4.19Å; L175-L180 HydrophobicContact CB-CG 4.27Å; L175-L180 HydrophobicContact CD2-CD2 4.44Å; T176-L180 WeakPolarHBondContact O-CG 3.47Å; T176-L180 PolarHBondContact O-N 3.47Å; P177-L180 PolarHBondContact O-N 3.04Å; L180-A183 PolarHBondContact O-N 2.87Å; L180-I184 WeakPolarHBondContact O-CD1 3.18Å; L180-I184 VanDerWaalsContact O-CG1 3.27Å; L180-I184 WeakPolarHBondContact O-CG1 3.33Å; L180-I184 PolarHBondContact O-N 3.37Å; L180-M210 HydrophobicContact CD1-CG 3.92Å; L180-M210 HydrophobicContact CD1-SD 4.2Å; L180-I214 HydrophobicContact CB-CG2 3.64Å; L180-I214 HydrophobicContact CD1-CG2 3.5Å; L180-I214 VanDerWaalsContact CD1-CG2 3.5Å; L180-I214 HydrophobicContact CG-CG2 4.13Å
181K95.1Very high94.2Very high77 Ų7740 Ų4034%0.33521%0.213SC..Hα-helixtrans-61.6-45.6173.7-173-175.5-175.5-109.80111.1P177 N178 I179 A183 I184 E185 F217P177-K181 VanDerWaalsContact O-CB 3.23Å; P177-K181 WeakPolarHBondContact O-CB 3.41Å; P177-K181 PolarHBondContact O-N 3.29Å; N178-K181 PolarHBondContact O-N 2.92Å; I179-K181 VanDerWaalsContact C-N 3.34Å; K181-A183 VanDerWaalsContact C-N 3.32Å; K181-A183 PolarHBondContact O-N 3.28Å; K181-I184 PolarHBondContact O-N 3.43Å; K181-E185 WeakPolarHBondContact CE-OE1 3.3Å; K181-E185 HydrophobicContact CG-CG 4.44Å; K181-E185 IonicContact NZ-OE1 3.65Å; K181-E185 PolarHBondContact NZ-OE1 2.92Å; K181-E185 WeakPolarHBondContact O-CB 3.27Å; K181-E185 WeakPolarHBondContact O-CG 3.42Å; K181-E185 PolarHBondContact O-N 3.49Å; K181-F217 HydrophobicContact CB-CD2 4.07Å; K181-F217 HydrophobicContact CB-CE2 4.16Å; K181-F217 HydrophobicContact CB-CG 4.26Å; K181-F217 HydrophobicContact CB-CZ 4.43Å; K181-F217 HydrophobicContact CD-CD1 3.93Å; K181-F217 HydrophobicContact CD-CE1 3.78Å; K181-F217 HydrophobicContact CD-CG 4.48Å; K181-F217 HydrophobicContact CD-CZ 4.21Å; K181-F217 HydrophobicContact CG-CD1 3.9Å; K181-F217 HydrophobicContact CG-CD2 4.28Å; K181-F217 HydrophobicContact CG-CE1 4.16Å; K181-F217 HydrophobicContact CG-CG 3.97Å; K181-F217 HydrophobicContact CG-CZ 4.48Å
182Q95.1Very high94.4Very high42 Ų4239.3 Ų39.320%0.19621%0.21CC..Hα-helixtrans-60.7-40.2176.4-177.1178.6-35.900111.9F78 M85 N178 I179 E185 G186F78-Q182 HydrophobicContact CE2-CG 4.33Å; F78-Q182 HydrophobicContact CZ-CG 4.2Å; M85-Q182 PolarHBondContact SD-NE2 3.06Å; N178-Q182 PolarHBondContact O-N 3.27Å; I179-Q182 PolarHBondContact O-N 3.35Å; Q182-E185 PolarHBondContact O-N 3.32Å; Q182-G186 PolarHBondContact O-N 3.25Å
183A96Very high94.5Very high11 Ų1139.4 Ų39.49%0.09121%0.212CC..Hα-helixtrans-62.7-43.6173.900000112.3F133 L137 I179 L180 K181 G186 L187F133-A183 HydrophobicContact CE1-CB 4.06Å; F133-A183 HydrophobicContact CZ-CB 4.32Å; L137-A183 HydrophobicContact CD1-CB 4.04Å; L137-A183 HydrophobicContact CD2-CB 3.98Å; I179-A183 PolarHBondContact O-N 2.94Å; L180-A183 PolarHBondContact O-N 2.87Å; K181-A183 VanDerWaalsContact C-N 3.32Å; K181-A183 PolarHBondContact O-N 3.28Å; A183-G186 PolarHBondContact O-N 3.42Å; A183-L187 WeakPolarHBondContact O-CB 3.47Å; A183-L187 WeakPolarHBondContact O-CG 3.31Å; A183-L187 PolarHBondContact O-N 3.11Å
184I96.8Very high94.9Very high20 Ų2037.9 Ų37.910%0.10320%0.195CC..Hα-helixtrans-64.5-48.1177.1-68.4163.6000110.4L180 K181 G186 L187 Q188 I214 F217 L218L180-I184 WeakPolarHBondContact O-CD1 3.18Å; L180-I184 VanDerWaalsContact O-CG1 3.27Å; L180-I184 WeakPolarHBondContact O-CG1 3.33Å; L180-I184 PolarHBondContact O-N 3.37Å; K181-I184 PolarHBondContact O-N 3.43Å; I184-G186 VanDerWaalsContact C-N 3.29Å; I184-G186 PolarHBondContact O-N 2.78Å; I184-L187 PolarHBondContact O-N 3.46Å; I184-Q188 HydrophobicContact CG2-CB 4.2Å; I184-Q188 WeakPolarHBondContact O-CA 3.46Å; I184-Q188 WeakPolarHBondContact O-CB 3.2Å; I184-Q188 PolarHBondContact O-N 3.08Å; I184-I214 HydrophobicContact CD1-CB 3.84Å; I184-I214 HydrophobicContact CD1-CD1 4.33Å; I184-I214 HydrophobicContact CD1-CG2 4.33Å; I184-F217 HydrophobicContact CD1-CB 3.93Å; I184-F217 HydrophobicContact CD1-CD2 4.5Å; I184-F217 HydrophobicContact CG2-CB 4.36Å; I184-F217 WeakPolarHBondContact CG2-O 3.22Å; I184-L218 HydrophobicContact CD1-CD2 3.81Å; I184-L218 HydrophobicContact CD1-CG 4.3Å; I184-L218 HydrophobicContact CG1-CD2 4.03Å; I184-L218 HydrophobicContact CG2-CD2 4.09Å
185E96.6Very high95.1Very high51 Ų5134 Ų3424%0.23818%0.178CC..Iπ-helixtrans-58.6-41.8177.3-74.3177.4-175.900111.5F78 K181 Q182 D189 S190F78-E185 HydrophobicContact CD2-CB 4.36Å; F78-E185 HydrophobicContact CE2-CB 3.93Å; K181-E185 WeakPolarHBondContact CE-OE1 3.3Å; K181-E185 HydrophobicContact CG-CG 4.44Å; K181-E185 IonicContact NZ-OE1 3.65Å; K181-E185 PolarHBondContact NZ-OE1 2.92Å; K181-E185 WeakPolarHBondContact O-CB 3.27Å; K181-E185 WeakPolarHBondContact O-CG 3.42Å; K181-E185 PolarHBondContact O-N 3.49Å; Q182-E185 PolarHBondContact O-N 3.32Å; E185-D189 CarbonylContact O-C 3.53Å; E185-D189 WeakPolarHBondContact O-CB 3.49Å; E185-D189 PolarHBondContact O-N 3.18Å; E185-S190 VanDerWaalsContact O-CB 3.28Å; E185-S190 WeakPolarHBondContact O-CB 3.43Å; E185-S190 PolarHBondContact O-N 2.91Å; E185-S190 PolarHBondContact O-OG 2.79Å
186G96.6Very high95.4Very high1 Ų134 Ų341%0.0118%0.183CC..Iπ-helixtrans-61.8-52176.100000112.8F78 Q182 A183 I184 S190 F191F78-G186 VanDerWaalsContact CE1-CA 3.48Å; F78-G186 VanDerWaalsContact CZ-CA 3.41Å; Q182-G186 PolarHBondContact O-N 3.25Å; A183-G186 PolarHBondContact O-N 3.42Å; I184-G186 VanDerWaalsContact C-N 3.29Å; I184-G186 PolarHBondContact O-N 2.78Å; G186-S190 CarbonylContact O-C 3.52Å; G186-F191 VanDerWaalsContact O-CB 3.23Å; G186-F191 WeakPolarHBondContact O-CB 3.41Å; G186-F191 PolarHBondContact O-N 3.23Å
187L96.5Very high95.6Very high34 Ų3431.3 Ų31.318%0.17817%0.167CC..Iπ-helixtrans-82-37.8-172.7-66.6169.2000114I140 L141 L144 A183 I184 F195I140-L187 HydrophobicContact CG2-CD2 4.08Å; L141-L187 HydrophobicContact CD2-CD2 3.92Å; L144-L187 HydrophobicContact CD1-CD2 3.5Å; A183-L187 WeakPolarHBondContact O-CB 3.47Å; A183-L187 WeakPolarHBondContact O-CG 3.31Å; A183-L187 PolarHBondContact O-N 3.11Å; I184-L187 PolarHBondContact O-N 3.46Å; L187-F195 HydrophobicContact CD2-CZ 4.43Å
188Q95.6Very high95.9Very high29 Ų2929.7 Ų29.714%0.13615%0.154CC..Iπ-helixtrans-90.9-43.3-173.7-175.4-172.3-102.300112.3I184 F217 K219 T222I184-Q188 HydrophobicContact CG2-CB 4.2Å; I184-Q188 WeakPolarHBondContact O-CA 3.46Å; I184-Q188 WeakPolarHBondContact O-CB 3.2Å; I184-Q188 PolarHBondContact O-N 3.08Å; Q188-F217 PolarHBondContact NE2-O 3.45Å; Q188-K219 HydrophobicContact CG-CD 4.17Å; Q188-T222 PolarHBondContact OE1-OG1 2.85Å
189D94.3Very high96.2Very high28 Ų2823.8 Ų23.815%0.1512%0.123CC..Iπ-helixtrans-105.1-23.9-164.9-60.1-33.6000113L71 Q74 E185 K219L71-D189 WeakPolarHBondContact CD1-O 3.35Å; Q74-D189 VanDerWaalsContact CG-O 3.27Å; Q74-D189 WeakPolarHBondContact CG-O 3.31Å; E185-D189 CarbonylContact O-C 3.53Å; E185-D189 WeakPolarHBondContact O-CB 3.49Å; E185-D189 PolarHBondContact O-N 3.18Å; D189-K219 WeakPolarHBondContact OD1-CE 3.21Å; D189-K219 IonicContact OD1-NZ 2.62Å; D189-K219 PolarHBondContact OD1-NZ 3.45Å
190S97.1Very high96.5Very high1 Ų122.4 Ų22.41%0.00712%0.115CC..SBendtrans-121.4-1.2-168.7-46.50000114Y75 F78 E185 G186Y75-S190 VanDerWaalsContact CA-O 3.29Å; Y75-S190 WeakPolarHBondContact CA-O 3.47Å; Y75-S190 WeakPolarHBondContact CB-O 3.35Å; Y75-S190 WeakPolarHBondContact CD2-O 3.46Å; F78-S190 WeakPolarHBondContact CB-OG 3.49Å; F78-S190 WeakPolarHBondContact CG-OG 3.25Å; E185-S190 VanDerWaalsContact O-CB 3.28Å; E185-S190 WeakPolarHBondContact O-CB 3.43Å; E185-S190 PolarHBondContact O-N 2.91Å; E185-S190 PolarHBondContact O-OG 2.79Å; G186-S190 CarbonylContact O-C 3.52Å
191F97.7Very high96.7Very high2 Ų221.4 Ų21.41%0.00911%0.11CC..SBendtrans-123.3136.5-179.1-165.2-89.4000111.4L141 L144 E145 I148 G186 A193L141-F191 HydrophobicContact CD2-CD2 4.37Å; L144-F191 VanDerWaalsContact C-CZ 3.47Å; L144-F191 HydrophobicContact CB-CD1 4.44Å; L144-F191 HydrophobicContact CB-CE1 3.66Å; L144-F191 HydrophobicContact CB-CE2 4.05Å; L144-F191 HydrophobicContact CB-CZ 3.45Å; L144-F191 VanDerWaalsContact CB-CZ 3.45Å; L144-F191 HydrophobicContact CD1-CD1 4.49Å; L144-F191 HydrophobicContact CD1-CE1 4.44Å; L144-F191 HydrophobicContact CG-CE1 4.5Å; E145-F191 HydrophobicContact CG-CE2 3.95Å; E145-F191 VanDerWaalsContact OE1-CE2 3.24Å; E145-F191 WeakPolarHBondContact OE1-CE2 3.33Å; I148-F191 HydrophobicContact CB-CE1 4.5Å; I148-F191 HydrophobicContact CB-CZ 4.4Å; I148-F191 HydrophobicContact CD1-CE1 3.76Å; I148-F191 HydrophobicContact CD1-CZ 4.29Å; I148-F191 HydrophobicContact CG2-CE1 4.49Å; I148-F191 HydrophobicContact CG2-CZ 3.97Å; G186-F191 VanDerWaalsContact O-CB 3.23Å; G186-F191 WeakPolarHBondContact O-CB 3.41Å; G186-F191 PolarHBondContact O-N 3.23Å; F191-A193 HydrophobicContact CD1-CB 3.43Å; F191-A193 VanDerWaalsContact CD1-CB 3.43Å; F191-A193 HydrophobicContact CE1-CB 3.74Å; F191-A193 PolarHBondContact O-N 3.45Å
192P97.5Very high96.8Very high4 Ų419.4 Ų19.43%0.02610%0.103CC..  trans-77.630.1-176.930.7-32.5000114.3R56 F57 A60 L71 I148R56-P192 HydrophobicContact CB-CB 4.27Å; R56-P192 HydrophobicContact CB-CG 4.17Å; F57-P192 HydrophobicContact CD1-CB 4Å; F57-P192 HydrophobicContact CD1-CG 4.37Å; F57-P192 HydrophobicContact CD2-CB 4.47Å; F57-P192 HydrophobicContact CD2-CG 4.45Å; F57-P192 HydrophobicContact CE1-CB 4.08Å; F57-P192 HydrophobicContact CE1-CG 3.98Å; F57-P192 HydrophobicContact CE2-CG 4.08Å; F57-P192 HydrophobicContact CG-CB 4.18Å; F57-P192 HydrophobicContact CZ-CB 4.35Å; F57-P192 HydrophobicContact CZ-CG 3.83Å; A60-P192 HydrophobicContact CB-CB 3.93Å; A60-P192 WeakPolarHBondContact CB-O 3.34Å; L71-P192 HydrophobicContact CD2-CB 4.13Å; I148-P192 HydrophobicContact CD1-CB 4.25Å; I148-P192 HydrophobicContact CD1-CG 3.89Å; I148-P192 VanDerWaalsContact CD1-O 3.29Å; I148-P192 WeakPolarHBondContact CD1-O 3.39Å
193A94.8Very high96.8Very high13 Ų1318.2 Ų18.211%0.10710%0.097CC..  trans-83.7147.3176.300000112.3F158 F191 F195F158-A193 HydrophobicContact CD2-CB 3.85Å; F158-A193 HydrophobicContact CE2-CB 4.05Å; F191-A193 HydrophobicContact CD1-CB 3.43Å; F191-A193 VanDerWaalsContact CD1-CB 3.43Å; F191-A193 HydrophobicContact CE1-CB 3.74Å; F191-A193 PolarHBondContact O-N 3.45Å; A193-F195 HydrophobicContact CB-CD2 4.18Å; A193-F195 HydrophobicContact CB-CE2 3.7Å; A193-F195 HydrophobicContact CB-CZ 4.23Å
194R96.1Very high96.7Very high40 Ų4019.4 Ų19.415%0.15110%0.104CC..  trans-107.898.3169.6-66.5170.174-103.215.5108.7E19 Q154 I155 N156 G157 F158 G196E19-R194 IonicContact OE2-NH2 2.65Å; E19-R194 PolarHBondContact OE2-NH2 2.91Å; E19-R194 VanDerWaalsContact OE2-NH2 3.09Å; Q154-R194 WeakPolarHBondContact O-CD 2.83Å; I155-R194 PolarHBondContact O-NH1 3.43Å; N156-R194 PolarHBondContact O-NH1 2.67Å; G157-R194 CarbonylContact C-O 3.57Å; G157-R194 WeakPolarHBondContact CA-O 3.36Å; F158-R194 PolarHBondContact N-O 3.23Å; R194-G196 PolarHBondContact O-N 3.13Å
195F96.9Very high96.4Very high30 Ų3027.8 Ų27.813%0.13213%0.134CC..EExtended strand (participates in β ladder)trans-78.6118.1173.4-71.9-81.7000110.8L144 F158 L160 L187 A193 R225L144-F195 HydrophobicContact CD1-CZ 4.08Å; L144-F195 HydrophobicContact CD2-CZ 4.36Å; F158-F195 HydrophobicContact CB-CD1 3.92Å; F158-F195 HydrophobicContact CB-CE1 3.88Å; F158-F195 CarbonylContact O-C 3.58Å; F158-F195 WeakPolarHBondContact O-CA 3.5Å; L160-F195 HydrophobicContact CB-CD1 4.49Å; L160-F195 HydrophobicContact CB-CE1 4.43Å; L187-F195 HydrophobicContact CD2-CZ 4.43Å; A193-F195 HydrophobicContact CB-CD2 4.18Å; A193-F195 HydrophobicContact CB-CE2 3.7Å; A193-F195 HydrophobicContact CB-CZ 4.23Å; F195-R225 VanDerWaalsContact O-CD 3.22Å; F195-R225 WeakPolarHBondContact O-CD 3.37Å; F195-R225 VanDerWaalsContact O-CZ 3.25Å; F195-R225 PolarHBondContact O-NH1 3.19Å
196G96.6Very high96.2Very high21 Ų2126.9 Ų26.922%0.21613%0.129CC..EExtended strand (participates in β ladder)trans-75.7-26174.500000113.4F158 R194F158-G196 PolarHBondContact O-N 2.67Å; R194-G196 PolarHBondContact O-N 3.13Å
197G97.9Very high96Very high0 Ų026.9 Ų26.90%013%0.129CC..EExtended strand (participates in β ladder)trans-173.2150.7-178.900000111.7I159 L160 R225I159-G197 VanDerWaalsContact CD1-N 3.26Å; L160-G197 PolarHBondContact N-O 3.33Å; G197-R225 CarbonylContact C-O 3.5Å; G197-R225 WeakPolarHBondContact CA-O 3.3Å
198I98.4Very high95.7Very high26 Ų2629.2 Ų29.213%0.13314%0.139CC..EExtended strand (participates in β ladder)trans-126.4110.2173.5-57.7172.7000106.1L160 F200 T222 R225 I226 F227L160-I198 HydrophobicContact CB-CG1 4.34Å; L160-I198 HydrophobicContact CB-CG2 4.35Å; L160-I198 HydrophobicContact CD2-CG2 4.16Å; L160-I198 HydrophobicContact CG-CG2 4.42Å; L160-I198 CarbonylContact O-C 3.51Å; L160-I198 VanDerWaalsContact O-CA 3.3Å; L160-I198 WeakPolarHBondContact O-CA 3.4Å; I198-F200 HydrophobicContact CG2-CD1 4.06Å; I198-F200 HydrophobicContact CG2-CE1 3.59Å; I198-T222 HydrophobicContact CD1-CG2 4.23Å; I198-R225 PolarHBondContact N-O 3.43Å; I198-I226 HydrophobicContact CB-CG1 4.03Å; I198-I226 HydrophobicContact CD1-CG1 4.11Å; I198-I226 HydrophobicContact CG2-CG1 4.4Å; I198-I226 CarbonylContact O-C 3.2Å; I198-I226 WeakPolarHBondContact O-CA 3.26Å; I198-F227 PolarHBondContact O-N 3.48Å
199H98.6Very high95.5Very high2 Ų230.2 Ų30.21%0.00915%0.151CC..EExtended strand (participates in β ladder)trans-110.9117.4-167.8-61.2-93.5000109.6L160 I161 I162 F227 H229 L236L160-H199 PolarHBondContact O-N 2.6Å; I161-H199 CarbonylContact C-O 3.38Å; I161-H199 WeakPolarHBondContact CA-O 3.33Å; I161-H199 HydrophobicContact CG1-CB 4.31Å; I162-H199 PolarHBondContact N-O 3.44Å; H199-F227 AromaticContact CE1-CD2 3.47Å; H199-F227 VanDerWaalsContact CE1-CD2 3.47Å; H199-F227 WeakPolarHBondContact CE1-CD2 3.39Å; H199-F227 AromaticContact ND1-CD2 3.77Å; H199-F227 AromaticContact NE2-CD2 3.95Å; H199-H229 AromaticContact CG-NE2 3.63Å; H199-H229 AromaticContact ND1-CD2 4Å; H199-H229 AromaticContact ND1-CE1 3.76Å; H199-H229 AromaticContact ND1-NE2 2.91Å; H199-H229 PolarHBondContact ND1-NE2 3.47Å; H199-L236 HydrophobicContact CB-CD1 3.71Å
200F98.3Very high95.4Very high18 Ų1830 Ų308%0.07915%0.15CC..EExtended strand (participates in β ladder)trans-98.7122.3175.8-74.726.2000107.3I162 W164 I198 Q203 I207 F227 L228 H229I162-F200 HydrophobicContact CB-CD1 4.29Å; I162-F200 HydrophobicContact CD1-CD1 4.17Å; I162-F200 HydrophobicContact CD1-CE1 3.59Å; I162-F200 HydrophobicContact CD1-CZ 4.16Å; I162-F200 HydrophobicContact CG1-CD1 4.33Å; I162-F200 HydrophobicContact CG1-CE1 4.23Å; W164-F200 AromaticContact CE2-CD2 3.87Å; W164-F200 AromaticContact CE2-CE2 3.98Å; W164-F200 HydrophobicContact CZ2-CD2 4.09Å; W164-F200 AromaticContact CZ2-CE2 3.69Å; W164-F200 HydrophobicContact CZ2-CE2 3.69Å; W164-F200 HydrophobicContact CZ2-CZ 4.05Å; W164-F200 AromaticContact NE1-CD1 3.99Å; W164-F200 AromaticContact NE1-CD2 3.25Å; W164-F200 AromaticContact NE1-CE2 3.78Å; W164-F200 AromaticContact NE1-CG 3.37Å; I198-F200 HydrophobicContact CG2-CD1 4.06Å; I198-F200 HydrophobicContact CG2-CE1 3.59Å; F200-Q203 PolarHBondContact O-OE1 3.42Å; F200-I207 HydrophobicContact CD2-CG2 3.69Å; F200-I207 HydrophobicContact CE2-CG2 3.79Å; F200-F227 PolarHBondContact N-O 3.47Å; F200-L228 HydrophobicContact CB-CD2 3.8Å; F200-L228 HydrophobicContact CD2-CD2 3.57Å; F200-L228 HydrophobicContact CE2-CD2 4.44Å; F200-L228 HydrophobicContact CG-CD2 3.97Å; F200-H229 WeakPolarHBondContact O-CB 3.41Å; F200-H229 PolarHBondContact O-CD2 2.96Å; F200-H229 PolarHBondContact O-N 3.12Å
201V98.3Very high95.2Very high0 Ų031.8 Ų31.80%016%0.157CC..EExtended strand (participates in β ladder)trans-119.6150.4176.9-56.50000109.8I161 I162 D163 W164 Q203 H229 L233 L236 F249I161-V201 HydrophobicContact CG2-CG1 4.48Å; I161-V201 HydrophobicContact CG2-CG2 4.39Å; I162-V201 PolarHBondContact O-N 3.17Å; D163-V201 HydrophobicContact CB-CG2 3.94Å; W164-V201 PolarHBondContact N-O 3.44Å; V201-Q203 PolarHBondContact O-N 3.45Å; V201-Q203 VanDerWaalsContact O-N 3.09Å; V201-H229 HydrophobicContact CG1-CB 4.17Å; V201-L233 HydrophobicContact CB-CD2 4.46Å; V201-L233 HydrophobicContact CG1-CD2 4.34Å; V201-L236 HydrophobicContact CG1-CD1 4.45Å; V201-L236 HydrophobicContact CG1-CD2 4.12Å; V201-F249 HydrophobicContact CG2-CD1 3.94Å; V201-F249 HydrophobicContact CG2-CE1 3.67Å
202N97.2Very high94.9Very high34 Ų3436.1 Ų36.118%0.18218%0.183CC..SBendtrans53.928.9-179.9-52.1-49.8000113.6D163 W164 S165 P204 G230D163-N202 PolarHBondContact OD1-ND2 2.86Å; W164-N202 CarbonylContact C-O 3.55Å; S165-N202 WeakPolarHBondContact OG-CB 3.32Å; S165-N202 VanDerWaalsContact OG-CG 3.3Å; S165-N202 PolarHBondContact OG-ND2 3.35Å; N202-P204 WeakPolarHBondContact O-CD 3.17Å; N202-G230 WeakPolarHBondContact CA-O 3.22Å; N202-G230 PolarHBondContact N-O 2.86Å
203Q95.6Very high94.6Very high17 Ų1740.1 Ų40.18%0.07920%0.204CC..  trans-74.9126.5-174.980.6-72.2-11.700112.5W164 F200 V201 I207 H208 L228 G230W164-Q203 HydrophobicContact CB-CB 3.93Å; W164-Q203 HydrophobicContact CG-CB 3.78Å; F200-Q203 PolarHBondContact O-OE1 3.42Å; V201-Q203 PolarHBondContact O-N 3.45Å; V201-Q203 VanDerWaalsContact O-N 3.09Å; Q203-I207 HydrophobicContact CB-CB 3.92Å; Q203-I207 HydrophobicContact CB-CG1 4.11Å; Q203-I207 HydrophobicContact CB-CG2 3.96Å; Q203-I207 HydrophobicContact CG-CB 4.22Å; Q203-I207 HydrophobicContact CG-CG2 4.21Å; Q203-H208 PolarHBondContact NE2-NE2 3.49Å; Q203-L228 HydrophobicContact CG-CD2 4.01Å; Q203-G230 VanDerWaalsContact OE1-CA 3.26Å
204P93.7Very high94.6Very high36 Ų3640.5 Ų40.523%0.23420%0.204CC..  trans-72.1162.7174.627.8-32.8000111.2N202 Y206 I207N202-P204 WeakPolarHBondContact O-CD 3.17Å; P204-Y206 HydrophobicContact CB-CD1 4.06Å; P204-Y206 HydrophobicContact CB-CE1 3.56Å; P204-Y206 HydrophobicContact CB-CE2 4.36Å; P204-Y206 HydrophobicContact CG-CD1 4.25Å; P204-Y206 HydrophobicContact CG-CD2 4.19Å; P204-Y206 HydrophobicContact CG-CE1 3.59Å; P204-Y206 HydrophobicContact CG-CE2 3.52Å; P204-Y206 VanDerWaalsContact CG-OH 3.32Å; P204-Y206 WeakPolarHBondContact CG-OH 3.2Å; P204-Y206 PolarHBondContact O-N 3.09Å; P204-I207 HydrophobicContact CG-CG1 3.92Å; P204-I207 WeakPolarHBondContact O-CB 3.44Å; P204-I207 PolarHBondContact O-N 2.96Å
205W91.1Very high94.5Very high197 Ų19742.5 Ų42.575%0.74621%0.213SC*.Hα-helixtrans-52.4-34.8-172.868.8-95.2000114I207 H208W205-I207 VanDerWaalsContact C-N 3.26Å; W205-I207 PolarHBondContact O-N 2.9Å; W205-H208 WeakPolarHBondContact O-CB 3.34Å; W205-H208 PolarHBondContact O-N 3.34Å; W205-H208 VanDerWaalsContact O-N 3.15Å
206Y90.7Very high94.5Very high32 Ų3245.9 Ų45.913%0.12524%0.238CC..Hα-helixtrans-73.8-13.8-17854.1-101.9000113.6F167 F169 A172 P204 H208 A209 M210F167-Y206 HydrophobicContact CD1-CE2 4.14Å; F167-Y206 PolarHBondContact O-OH 2.66Å; F169-Y206 HydrophobicContact CD2-CD1 4.44Å; F169-Y206 HydrophobicContact CD2-CG 4.41Å; A172-Y206 HydrophobicContact CB-CD2 4.09Å; A172-Y206 HydrophobicContact CB-CE2 3.95Å; P204-Y206 HydrophobicContact CB-CD1 4.06Å; P204-Y206 HydrophobicContact CB-CE1 3.56Å; P204-Y206 HydrophobicContact CB-CE2 4.36Å; P204-Y206 HydrophobicContact CG-CD1 4.25Å; P204-Y206 HydrophobicContact CG-CD2 4.19Å; P204-Y206 HydrophobicContact CG-CE1 3.59Å; P204-Y206 HydrophobicContact CG-CE2 3.52Å; P204-Y206 VanDerWaalsContact CG-OH 3.32Å; P204-Y206 WeakPolarHBondContact CG-OH 3.2Å; P204-Y206 PolarHBondContact O-N 3.09Å; Y206-H208 VanDerWaalsContact C-N 3.28Å; Y206-A209 WeakPolarHBondContact O-CB 3.45Å; Y206-A209 PolarHBondContact O-N 2.82Å; Y206-M210 PolarHBondContact O-N 3.17Å
207I93.1Very high94.4Very high1 Ų148 Ų481%0.00524%0.242CC..Hα-helixtrans-69.1-29.5169.8-60.1-53000111.1W164 F167 F200 Q203 P204 W205 A209 M210 Y211W164-I207 HydrophobicContact CD2-CD1 3.96Å; W164-I207 HydrophobicContact CD2-CG1 3.9Å; W164-I207 HydrophobicContact CD2-CG2 4.3Å; W164-I207 HydrophobicContact CE3-CD1 3.39Å; W164-I207 HydrophobicContact CE3-CG1 3.81Å; W164-I207 HydrophobicContact CG-CG1 4.35Å; W164-I207 HydrophobicContact CH2-CD1 3.85Å; W164-I207 HydrophobicContact CZ2-CD1 4.36Å; W164-I207 HydrophobicContact CZ2-CG2 4.05Å; W164-I207 HydrophobicContact CZ3-CD1 3.34Å; W164-I207 HydrophobicContact CZ3-CG1 4.21Å; F167-I207 HydrophobicContact CD1-CD1 4.04Å; F167-I207 HydrophobicContact CE1-CD1 4.16Å; F200-I207 HydrophobicContact CD2-CG2 3.69Å; F200-I207 HydrophobicContact CE2-CG2 3.79Å; Q203-I207 HydrophobicContact CB-CB 3.92Å; Q203-I207 HydrophobicContact CB-CG1 4.11Å; Q203-I207 HydrophobicContact CB-CG2 3.96Å; Q203-I207 HydrophobicContact CG-CB 4.22Å; Q203-I207 HydrophobicContact CG-CG2 4.21Å; P204-I207 HydrophobicContact CG-CG1 3.92Å; P204-I207 WeakPolarHBondContact O-CB 3.44Å; P204-I207 PolarHBondContact O-N 2.96Å; W205-I207 VanDerWaalsContact C-N 3.26Å; W205-I207 PolarHBondContact O-N 2.9Å; I207-A209 VanDerWaalsContact C-N 3.34Å; I207-M210 HydrophobicContact CD1-CE 4.23Å; I207-M210 HydrophobicContact CD1-SD 4.49Å; I207-M210 PolarHBondContact O-N 2.84Å; I207-Y211 WeakPolarHBondContact O-CB 3.09Å; I207-Y211 PolarHBondContact O-N 2.97Å
208H90.8Very high94.3Very high83 Ų8348.6 Ų48.638%0.38425%0.245SC..Hα-helixtrans-65.8-37.9171.1-68.9-92.6000111.9Q203 W205 Y206 Y211 T212Q203-H208 PolarHBondContact NE2-NE2 3.49Å; W205-H208 WeakPolarHBondContact O-CB 3.34Å; W205-H208 PolarHBondContact O-N 3.34Å; W205-H208 VanDerWaalsContact O-N 3.15Å; Y206-H208 VanDerWaalsContact C-N 3.28Å; H208-Y211 PolarHBondContact O-N 2.96Å; H208-T212 PolarHBondContact O-N 3.08Å; H208-T212 PolarHBondContact O-OG1 3.42Å
209A90.9Very high94.2Very high49 Ų4951.4 Ų51.441%0.40526%0.256SS..Hα-helixtrans-64.3-44.7173.400000111Y206 I207 Y211 T212 I213Y206-A209 WeakPolarHBondContact O-CB 3.45Å; Y206-A209 PolarHBondContact O-N 2.82Å; I207-A209 VanDerWaalsContact C-N 3.34Å; A209-Y211 VanDerWaalsContact C-N 3.35Å; A209-Y211 PolarHBondContact O-N 3.27Å; A209-T212 WeakPolarHBondContact O-CB 3.14Å; A209-T212 PolarHBondContact O-N 3.45Å; A209-T212 VanDerWaalsContact O-N 3.14Å; A209-I213 WeakPolarHBondContact O-CG1 3.45Å; A209-I213 PolarHBondContact O-N 3.15Å; A209-I213 VanDerWaalsContact O-N 3.14Å
210M91.7Very high94.1Very high23 Ų2356 Ų5611%0.11328%0.281CS..Hα-helixtrans-60.8-41.4174.8-168.6178.6-60.600112.6A172 L175 L180 Y206 I207 T212 I213 I214A172-M210 HydrophobicContact CB-CE 3.74Å; L175-M210 HydrophobicContact CB-CE 4.1Å; L175-M210 HydrophobicContact CB-SD 4.1Å; L175-M210 HydrophobicContact CD1-CE 3.86Å; L175-M210 HydrophobicContact CD1-SD 3.6Å; L175-M210 VanDerWaalsContact CD1-SD 3.6Å; L175-M210 HydrophobicContact CG-SD 4.5Å; L180-M210 HydrophobicContact CD1-CG 3.92Å; L180-M210 HydrophobicContact CD1-SD 4.2Å; Y206-M210 PolarHBondContact O-N 3.17Å; I207-M210 HydrophobicContact CD1-CE 4.23Å; I207-M210 HydrophobicContact CD1-SD 4.49Å; I207-M210 PolarHBondContact O-N 2.84Å; M210-T212 VanDerWaalsContact C-N 3.28Å; M210-T212 PolarHBondContact O-N 2.87Å; M210-I213 WeakPolarHBondContact O-CB 3.48Å; M210-I213 PolarHBondContact O-N 3.42Å; M210-I213 VanDerWaalsContact O-N 3.14Å; M210-I214 PolarHBondContact O-N 3.01Å; M210-I214 VanDerWaalsContact O-N 3.14Å
211Y92.8Very high93.9Very high40 Ų4060.4 Ų60.416%0.15730%0.3CS..Hα-helixtrans-57.5-42.7173.6174.6-99000111.5I207 H208 A209 I213 I214 K215 L218 I226I207-Y211 WeakPolarHBondContact O-CB 3.09Å; I207-Y211 PolarHBondContact O-N 2.97Å; H208-Y211 PolarHBondContact O-N 2.96Å; A209-Y211 VanDerWaalsContact C-N 3.35Å; A209-Y211 PolarHBondContact O-N 3.27Å; Y211-I213 VanDerWaalsContact C-N 3.28Å; Y211-I213 PolarHBondContact O-N 3.1Å; Y211-I214 VanDerWaalsContact O-CG1 3.26Å; Y211-I214 WeakPolarHBondContact O-CG1 3.48Å; Y211-I214 PolarHBondContact O-N 3.34Å; Y211-K215 HydrophobicContact CE1-CD 4.22Å; Y211-K215 HydrophobicContact CE1-CG 4.5Å; Y211-K215 WeakPolarHBondContact O-CB 3.49Å; Y211-K215 PolarHBondContact O-N 2.81Å; Y211-L218 HydrophobicContact CD2-CD1 4.5Å; Y211-L218 HydrophobicContact CE2-CD1 3.91Å; Y211-I226 HydrophobicContact CD2-CG2 4.32Å; Y211-I226 HydrophobicContact CE2-CB 4.34Å; Y211-I226 HydrophobicContact CE2-CD1 3.86Å; Y211-I226 HydrophobicContact CE2-CG2 3.96Å
212T92.6Very high93.8Very high92 Ų9261.7 Ų61.756%0.56431%0.308SS*.Hα-helixtrans-62.3-37178-55.70000111.8H208 A209 M210H208-T212 PolarHBondContact O-N 3.08Å; H208-T212 PolarHBondContact O-OG1 3.42Å; A209-T212 WeakPolarHBondContact O-CB 3.14Å; A209-T212 PolarHBondContact O-N 3.45Å; A209-T212 VanDerWaalsContact O-N 3.14Å; M210-T212 VanDerWaalsContact C-N 3.28Å; M210-T212 PolarHBondContact O-N 2.87Å
213I91.8Very high93.7Very high88 Ų8863.8 Ų63.845%0.45131%0.313SS..Hα-helixtrans-65-39.4176.1-67.6169.6000111.5P177 A209 M210 Y211 P216P177-I213 HydrophobicContact CB-CG2 4.13Å; P177-I213 HydrophobicContact CG-CG2 3.86Å; A209-I213 WeakPolarHBondContact O-CG1 3.45Å; A209-I213 PolarHBondContact O-N 3.15Å; A209-I213 VanDerWaalsContact O-N 3.14Å; M210-I213 WeakPolarHBondContact O-CB 3.48Å; M210-I213 PolarHBondContact O-N 3.42Å; M210-I213 VanDerWaalsContact O-N 3.14Å; Y211-I213 VanDerWaalsContact C-N 3.28Å; Y211-I213 PolarHBondContact O-N 3.1Å; I213-P216 WeakPolarHBondContact O-CD 3.27Å
214I93.8Very high93.8Very high21 Ų2170.9 Ų70.911%0.10834%0.344CS..Hα-helixtrans-88.2-16.9-178.365.8168.6000114L180 I184 M210 Y211 P216 F217 L218L180-I214 HydrophobicContact CB-CG2 3.64Å; L180-I214 HydrophobicContact CD1-CG2 3.5Å; L180-I214 VanDerWaalsContact CD1-CG2 3.5Å; L180-I214 HydrophobicContact CG-CG2 4.13Å; I184-I214 HydrophobicContact CD1-CB 3.84Å; I184-I214 HydrophobicContact CD1-CD1 4.33Å; I184-I214 HydrophobicContact CD1-CG2 4.33Å; M210-I214 PolarHBondContact O-N 3.01Å; M210-I214 VanDerWaalsContact O-N 3.14Å; Y211-I214 VanDerWaalsContact O-CG1 3.26Å; Y211-I214 WeakPolarHBondContact O-CG1 3.48Å; Y211-I214 PolarHBondContact O-N 3.34Å; I214-P216 VanDerWaalsContact C-N 3.26Å; I214-P216 VanDerWaalsContact O-N 3.13Å; I214-F217 HydrophobicContact CB-CD2 4.4Å; I214-F217 WeakPolarHBondContact O-CB 3.47Å; I214-F217 PolarHBondContact O-N 3.18Å; I214-L218 HydrophobicContact CD1-CD1 4.25Å; I214-L218 HydrophobicContact CG1-CD1 4.22Å; I214-L218 PolarHBondContact O-N 3.25Å
215K94.8Very high94Very high82 Ų8272.8 Ų72.836%0.35735%0.346SS..G310 helixtrans-48.7-36.9-179.7-171176.9-179.5177.30114.1Y211 F217 L218 R223Y211-K215 HydrophobicContact CE1-CD 4.22Å; Y211-K215 HydrophobicContact CE1-CG 4.5Å; Y211-K215 WeakPolarHBondContact O-CB 3.49Å; Y211-K215 PolarHBondContact O-N 2.81Å; K215-F217 VanDerWaalsContact C-N 3.29Å; K215-F217 PolarHBondContact O-N 3.47Å; K215-L218 PolarHBondContact O-N 3.3Å; K215-R223 PolarHBondContact O-NH1 3.41Å
216P95.4Very high94.3Very high101 Ų10164.5 Ų64.566%0.65632%0.316SS*.G310 helixtrans-65.6-25.2175-23.536000114.9I213 I214I213-P216 WeakPolarHBondContact O-CD 3.27Å; I214-P216 VanDerWaalsContact C-N 3.26Å; I214-P216 VanDerWaalsContact O-N 3.13Å
217F95.6Very high94.6Very high67 Ų6766 Ų6629%0.29432%0.323SS..G310 helixtrans-88.4-12.5179.2-48.4-52.3000112.8K181 I184 Q188 I214 K215K181-F217 HydrophobicContact CB-CD2 4.07Å; K181-F217 HydrophobicContact CB-CE2 4.16Å; K181-F217 HydrophobicContact CB-CG 4.26Å; K181-F217 HydrophobicContact CB-CZ 4.43Å; K181-F217 HydrophobicContact CD-CD1 3.93Å; K181-F217 HydrophobicContact CD-CE1 3.78Å; K181-F217 HydrophobicContact CD-CG 4.48Å; K181-F217 HydrophobicContact CD-CZ 4.21Å; K181-F217 HydrophobicContact CG-CD1 3.9Å; K181-F217 HydrophobicContact CG-CD2 4.28Å; K181-F217 HydrophobicContact CG-CE1 4.16Å; K181-F217 HydrophobicContact CG-CG 3.97Å; K181-F217 HydrophobicContact CG-CZ 4.48Å; I184-F217 HydrophobicContact CD1-CB 3.93Å; I184-F217 HydrophobicContact CD1-CD2 4.5Å; I184-F217 HydrophobicContact CG2-CB 4.36Å; I184-F217 WeakPolarHBondContact CG2-O 3.22Å; Q188-F217 PolarHBondContact NE2-O 3.45Å; I214-F217 HydrophobicContact CB-CD2 4.4Å; I214-F217 WeakPolarHBondContact O-CB 3.47Å; I214-F217 PolarHBondContact O-N 3.18Å; K215-F217 VanDerWaalsContact C-N 3.29Å; K215-F217 PolarHBondContact O-N 3.47Å
218L96.3Very high94.8Very high12 Ų1268.9 Ų68.96%0.06334%0.339CS..SBendtrans-89129.8-177.7-63.3174.2000111.7I184 Y211 I214 K215 T222 R223 I226I184-L218 HydrophobicContact CD1-CD2 3.81Å; I184-L218 HydrophobicContact CD1-CG 4.3Å; I184-L218 HydrophobicContact CG1-CD2 4.03Å; I184-L218 HydrophobicContact CG2-CD2 4.09Å; Y211-L218 HydrophobicContact CD2-CD1 4.5Å; Y211-L218 HydrophobicContact CE2-CD1 3.91Å; I214-L218 HydrophobicContact CD1-CD1 4.25Å; I214-L218 HydrophobicContact CG1-CD1 4.22Å; I214-L218 PolarHBondContact O-N 3.25Å; K215-L218 PolarHBondContact O-N 3.3Å; L218-T222 HydrophobicContact CD2-CG2 3.91Å; L218-R223 HydrophobicContact CB-CG 3.57Å; L218-R223 HydrophobicContact CD1-CG 4.28Å; L218-I226 HydrophobicContact CD1-CD1 3.51Å; L218-I226 HydrophobicContact CD2-CD1 4.3Å
219K95.8Very high95.1Very high85 Ų8565.7 Ų65.737%0.3732%0.324SS..  trans-68.3152.7169.4-73.2171.1178.2170.70110.8Q188 D189 K221 T222 R223Q188-K219 HydrophobicContact CG-CD 4.17Å; D189-K219 WeakPolarHBondContact OD1-CE 3.21Å; D189-K219 IonicContact OD1-NZ 2.62Å; D189-K219 PolarHBondContact OD1-NZ 3.45Å; K219-K221 PolarHBondContact O-N 3.21Å; K219-K221 VanDerWaalsContact O-N 3.13Å; K219-T222 WeakPolarHBondContact O-CA 3.39Å; K219-T222 WeakPolarHBondContact O-CB 3.5Å; K219-T222 PolarHBondContact O-N 3.33Å; K219-R223 PolarHBondContact O-N 3.35Å
220D96.4Very high95.3Very high98 Ų9864.2 Ų64.252%0.52431%0.313SS..Hα-helixtrans-49.4-43.7178.4-76.3-42.4000113.6T222 R223 K224D220-T222 VanDerWaalsContact C-N 3.31Å; D220-T222 PolarHBondContact O-N 3.31Å; D220-R223 PolarHBondContact O-N 2.82Å; D220-R223 IonicContact OD1-CZ 3.48Å; D220-R223 IonicContact OD1-NE 3.5Å; D220-R223 PolarHBondContact OD1-NE 3.21Å; D220-R223 IonicContact OD1-NH2 3.47Å; D220-R223 PolarHBondContact OD1-NH2 3.22Å; D220-K224 WeakPolarHBondContact O-CG 3.39Å; D220-K224 PolarHBondContact O-N 2.7Å
221K94Very high95.4Very high111 Ų11169.5 Ų69.548%0.48334%0.342SS..Hα-helixtrans-61.7-39.3178.9-173.3177.9178.1-175.90112.2K219 R225K219-K221 PolarHBondContact O-N 3.21Å; K219-K221 VanDerWaalsContact O-N 3.13Å; K221-R225 VanDerWaalsContact CE-CZ 3.41Å; K221-R225 VanDerWaalsContact CE-NH1 3.33Å; K221-R225 WeakPolarHBondContact O-CD 3.4Å; K221-R225 VanDerWaalsContact O-CG 3.27Å; K221-R225 WeakPolarHBondContact O-CG 3.45Å
222T95.7Very high95.5Very high26 Ų2670.8 Ų70.816%0.1635%0.352CS..Hα-helixtrans-74-41.4178.1-49.10000110.7Q188 I198 L218 K219 D220 K224 R225 I226Q188-T222 PolarHBondContact OE1-OG1 2.85Å; I198-T222 HydrophobicContact CD1-CG2 4.23Å; L218-T222 HydrophobicContact CD2-CG2 3.91Å; K219-T222 WeakPolarHBondContact O-CA 3.39Å; K219-T222 WeakPolarHBondContact O-CB 3.5Å; K219-T222 PolarHBondContact O-N 3.33Å; D220-T222 VanDerWaalsContact C-N 3.31Å; D220-T222 PolarHBondContact O-N 3.31Å; T222-K224 VanDerWaalsContact C-N 3.3Å; T222-K224 PolarHBondContact O-N 2.93Å; T222-R225 CarbonylContact O-C 3.56Å; T222-R225 WeakPolarHBondContact O-CA 3.23Å; T222-R225 PolarHBondContact O-N 2.97Å; T222-I226 HydrophobicContact CG2-CD1 4.36Å; T222-I226 PolarHBondContact O-N 2.81Å
223R96.5Very high95.6Very high79 Ų7968.4 Ų68.430%0.29834%0.335SS..Hα-helixtrans-55.4-45.7175.8-68.1-165.9-74.7-140.49.8111.9K215 L218 K219 D220 R225 I226K215-R223 PolarHBondContact O-NH1 3.41Å; L218-R223 HydrophobicContact CB-CG 3.57Å; L218-R223 HydrophobicContact CD1-CG 4.28Å; K219-R223 PolarHBondContact O-N 3.35Å; D220-R223 PolarHBondContact O-N 2.82Å; D220-R223 IonicContact OD1-CZ 3.48Å; D220-R223 IonicContact OD1-NE 3.5Å; D220-R223 PolarHBondContact OD1-NE 3.21Å; D220-R223 IonicContact OD1-NH2 3.47Å; D220-R223 PolarHBondContact OD1-NH2 3.22Å; R223-R225 PolarHBondContact O-N 2.96Å; R223-R225 VanDerWaalsContact O-N 3.17Å; R223-I226 PolarHBondContact O-N 3.47Å
224K97.3Very high95.8Very high166 Ų16669.6 Ų69.672%0.72234%0.342SS*.THydrogen-bonded Turntrans-67.1-9.9176.9-69.6177.3-179.1-176.30114.5D220 T222D220-K224 WeakPolarHBondContact O-CG 3.39Å; D220-K224 PolarHBondContact O-N 2.7Å; T222-K224 VanDerWaalsContact C-N 3.3Å; T222-K224 PolarHBondContact O-N 2.93Å
225R97.4Very high96Very high76 Ų7669.6 Ų69.629%0.28734%0.344SS..THydrogen-bonded Turntrans-110.21.9-178.8-71.3174.8172-168.2-6.9112.6F195 G197 I198 K221 T222 R223 F227F195-R225 VanDerWaalsContact O-CD 3.22Å; F195-R225 WeakPolarHBondContact O-CD 3.37Å; F195-R225 VanDerWaalsContact O-CZ 3.25Å; F195-R225 PolarHBondContact O-NH1 3.19Å; G197-R225 CarbonylContact C-O 3.5Å; G197-R225 WeakPolarHBondContact CA-O 3.3Å; I198-R225 PolarHBondContact N-O 3.43Å; K221-R225 VanDerWaalsContact CE-CZ 3.41Å; K221-R225 VanDerWaalsContact CE-NH1 3.33Å; K221-R225 WeakPolarHBondContact O-CD 3.4Å; K221-R225 VanDerWaalsContact O-CG 3.27Å; K221-R225 WeakPolarHBondContact O-CG 3.45Å; T222-R225 CarbonylContact O-C 3.56Å; T222-R225 WeakPolarHBondContact O-CA 3.23Å; T222-R225 PolarHBondContact O-N 2.97Å; R223-R225 PolarHBondContact O-N 2.96Å; R223-R225 VanDerWaalsContact O-N 3.17Å; R225-F227 VanDerWaalsContact O-CD2 3.32Å; R225-F227 WeakPolarHBondContact O-CD2 3.47Å; R225-F227 VanDerWaalsContact O-CE2 3.32Å; R225-F227 WeakPolarHBondContact O-CE2 3.36Å
226I97.8Very high96.1Very high22 Ų2265.7 Ų65.711%0.11333%0.327CS..EExtended strand (participates in β ladder)trans-94.3122.9172.5-67.6164.4000108I198 Y211 L218 T222 R223I198-I226 HydrophobicContact CB-CG1 4.03Å; I198-I226 HydrophobicContact CD1-CG1 4.11Å; I198-I226 HydrophobicContact CG2-CG1 4.4Å; I198-I226 CarbonylContact O-C 3.2Å; I198-I226 WeakPolarHBondContact O-CA 3.26Å; Y211-I226 HydrophobicContact CD2-CG2 4.32Å; Y211-I226 HydrophobicContact CE2-CB 4.34Å; Y211-I226 HydrophobicContact CE2-CD1 3.86Å; Y211-I226 HydrophobicContact CE2-CG2 3.96Å; L218-I226 HydrophobicContact CD1-CD1 3.51Å; L218-I226 HydrophobicContact CD2-CD1 4.3Å; T222-I226 HydrophobicContact CG2-CD1 4.36Å; T222-I226 PolarHBondContact O-N 2.81Å; R223-I226 PolarHBondContact O-N 3.47Å
227F97.6Very high96.3Very high64 Ų6462.7 Ų62.728%0.28130%0.304SS..EExtended strand (participates in β ladder)trans-117.8126.6-178.7-56.6-81.4000109.3I198 H199 F200 R225 H229 L239I198-F227 PolarHBondContact O-N 3.48Å; H199-F227 AromaticContact CE1-CD2 3.47Å; H199-F227 VanDerWaalsContact CE1-CD2 3.47Å; H199-F227 WeakPolarHBondContact CE1-CD2 3.39Å; H199-F227 AromaticContact ND1-CD2 3.77Å; H199-F227 AromaticContact NE2-CD2 3.95Å; F200-F227 PolarHBondContact N-O 3.47Å; R225-F227 VanDerWaalsContact O-CD2 3.32Å; R225-F227 WeakPolarHBondContact O-CD2 3.47Å; R225-F227 VanDerWaalsContact O-CE2 3.32Å; R225-F227 WeakPolarHBondContact O-CE2 3.36Å; F227-H229 WeakPolarHBondContact CB-NE2 3.31Å; F227-L239 HydrophobicContact CB-CD1 4.42Å; F227-L239 HydrophobicContact CD1-CD1 3.72Å; F227-L239 HydrophobicContact CD2-CD1 4.09Å; F227-L239 HydrophobicContact CE1-CD1 3.92Å; F227-L239 HydrophobicContact CE2-CD1 4.28Å; F227-L239 HydrophobicContact CG-CD1 3.81Å; F227-L239 HydrophobicContact CZ-CD1 4.2Å
228L96.7Very high96.4Very high62 Ų6267.2 Ų67.233%0.32533%0.327SS..EExtended strand (participates in β ladder)trans-106.3102.2179.9-68.9161.4000108F200 Q203F200-L228 HydrophobicContact CB-CD2 3.8Å; F200-L228 HydrophobicContact CD2-CD2 3.57Å; F200-L228 HydrophobicContact CE2-CD2 4.44Å; F200-L228 HydrophobicContact CG-CD2 3.97Å; Q203-L228 HydrophobicContact CG-CD2 4.01Å
229H97.1Very high96.4Very high16 Ų1669.6 Ų69.67%0.07434%0.339CS..EExtended strand (participates in β ladder)trans-88.6-20.2-172.5-62.9-70.5000113.2H199 F200 V201 F227 N231 N232 S235 L236H199-H229 AromaticContact CG-NE2 3.63Å; H199-H229 AromaticContact ND1-CD2 4Å; H199-H229 AromaticContact ND1-CE1 3.76Å; H199-H229 AromaticContact ND1-NE2 2.91Å; H199-H229 PolarHBondContact ND1-NE2 3.47Å; F200-H229 WeakPolarHBondContact O-CB 3.41Å; F200-H229 PolarHBondContact O-CD2 2.96Å; F200-H229 PolarHBondContact O-N 3.12Å; V201-H229 HydrophobicContact CG1-CB 4.17Å; F227-H229 WeakPolarHBondContact CB-NE2 3.31Å; H229-N231 PolarHBondContact O-N 3.21Å; H229-N232 PolarHBondContact O-N 2.9Å; H229-S235 WeakPolarHBondContact CB-OG 3.41Å; H229-S235 PolarHBondContact CE1-O 2.9Å; H229-S235 PolarHBondContact ND1-OG 2.96Å; H229-L236 PolarHBondContact ND1-N 2.93Å
230G94.9Very high96.6Very high18 Ų1865.6 Ų65.619%0.18632%0.322CS..EExtended strand (participates in β ladder)trans60.2-137.9-170.800000109.1N202 Q203 N232N202-G230 WeakPolarHBondContact CA-O 3.22Å; N202-G230 PolarHBondContact N-O 2.86Å; Q203-G230 VanDerWaalsContact OE1-CA 3.26Å; G230-N232 VanDerWaalsContact C-N 3.3Å
231N93.5Very high96.7Very high134 Ų13465 Ų6572%0.71732%0.318SS*.THydrogen-bonded Turntrans-908.1177.3-57.7-18000112.9H229 L233H229-N231 PolarHBondContact O-N 3.21Å; N231-L233 PolarHBondContact O-N 2.78Å
232N93.9Very high96.8Very high66 Ų6661.5 Ų61.535%0.35331%0.307SS..  trans-97.387.4-175.2-178.513.6000111.8H229 G230 N234 S235H229-N232 PolarHBondContact O-N 2.9Å; G230-N232 VanDerWaalsContact C-N 3.3Å; N232-N234 PolarHBondContact O-N 3.42Å; N232-N234 VanDerWaalsContact OD1-CB 3.32Å; N232-N234 WeakPolarHBondContact OD1-CB 3.49Å; N232-N234 PolarHBondContact OD1-N 3.13Å; N232-S235 PolarHBondContact O-N 3.47Å; N232-S235 VanDerWaalsContact O-N 3.13Å; N232-S235 PolarHBondContact O-OG 3.03Å
233L94.7Very high96.9Very high43 Ų4365.2 Ų65.223%0.22533%0.325CS..Hα-helixtrans-62.8-23177.4-63.7177.3000113.5V201 N231 S235 L236 H237V201-L233 HydrophobicContact CB-CD2 4.46Å; V201-L233 HydrophobicContact CG1-CD2 4.34Å; N231-L233 PolarHBondContact O-N 2.78Å; L233-S235 PolarHBondContact O-N 3.14Å; L233-L236 HydrophobicContact CD2-CD2 4.3Å; L233-L236 WeakPolarHBondContact O-CA 3.28Å; L233-L236 VanDerWaalsContact O-CB 3.27Å; L233-L236 WeakPolarHBondContact O-CB 3.49Å; L233-L236 PolarHBondContact O-N 3.38Å; L233-H237 VanDerWaalsContact O-CG 3.27Å; L233-H237 PolarHBondContact O-N 3.26Å
234N96.7Very high97Very high112 Ų11262 Ų6260%0.59932%0.315SS*.Hα-helixtrans-60.8-33.6174.9-61.8-44.5000111.9N232 L236 H237 Q238N232-N234 PolarHBondContact O-N 3.42Å; N232-N234 VanDerWaalsContact OD1-CB 3.32Å; N232-N234 WeakPolarHBondContact OD1-CB 3.49Å; N232-N234 PolarHBondContact OD1-N 3.13Å; N234-L236 VanDerWaalsContact C-N 3.3Å; N234-L236 PolarHBondContact O-N 2.73Å; N234-H237 PolarHBondContact O-N 3.15Å; N234-Q238 WeakPolarHBondContact O-CG 3.46Å; N234-Q238 PolarHBondContact O-N 2.82Å
235S97.6Very high97.1Very high21 Ų2154.1 Ų54.115%0.14728%0.281CS..Hα-helixtrans-70.7-26.7175.970.80000112.8H229 N232 L233H229-S235 WeakPolarHBondContact CB-OG 3.41Å; H229-S235 PolarHBondContact CE1-O 2.9Å; H229-S235 PolarHBondContact ND1-OG 2.96Å; N232-S235 PolarHBondContact O-N 3.47Å; N232-S235 VanDerWaalsContact O-N 3.13Å; N232-S235 PolarHBondContact O-OG 3.03Å; L233-S235 PolarHBondContact O-N 3.14Å
236L98.1Very high97.1Very high0 Ų050.6 Ų50.60%027%0.268CS..Hα-helixtrans-70.4-45.2168.7-179.171.1000109.8H199 V201 H229 L233 N234 Q238 L239 I240 L245 F249H199-L236 HydrophobicContact CB-CD1 3.71Å; V201-L236 HydrophobicContact CG1-CD1 4.45Å; V201-L236 HydrophobicContact CG1-CD2 4.12Å; H229-L236 PolarHBondContact ND1-N 2.93Å; L233-L236 HydrophobicContact CD2-CD2 4.3Å; L233-L236 WeakPolarHBondContact O-CA 3.28Å; L233-L236 VanDerWaalsContact O-CB 3.27Å; L233-L236 WeakPolarHBondContact O-CB 3.49Å; L233-L236 PolarHBondContact O-N 3.38Å; N234-L236 VanDerWaalsContact C-N 3.3Å; N234-L236 PolarHBondContact O-N 2.73Å; L236-Q238 PolarHBondContact O-N 3.33Å; L236-L239 WeakPolarHBondContact O-CA 3.47Å; L236-L239 PolarHBondContact O-N 3.33Å; L236-I240 HydrophobicContact CD1-CD1 3.86Å; L236-I240 PolarHBondContact O-N 3.07Å; L236-L245 HydrophobicContact CD2-CD1 3.92Å; L236-L245 HydrophobicContact CG-CD1 4.34Å; L236-F249 HydrophobicContact CD2-CB 4.02Å
237H98.3Very high97.1Very high38 Ų3852.2 Ų52.218%0.17628%0.281CS..Hα-helixtrans-65.3-23.2-177.6-60.8164.3000114.3L233 N234 L239 I240 P242 F249 G250L233-H237 VanDerWaalsContact O-CG 3.27Å; L233-H237 PolarHBondContact O-N 3.26Å; N234-H237 PolarHBondContact O-N 3.15Å; H237-L239 PolarHBondContact O-N 3.38Å; H237-I240 CarbonylContact C-O 3.6Å; H237-I240 VanDerWaalsContact CA-O 3.24Å; H237-I240 WeakPolarHBondContact CA-O 3.32Å; H237-P242 HydrophobicContact CB-CG 4.11Å; H237-F249 PolarHBondContact NE2-O 2.83Å; H237-G250 PolarHBondContact CE1-O 2.64Å; H237-G250 VanDerWaalsContact CE1-O 3.25Å
238Q97.4Very high97Very high163 Ų16352.1 Ų52.176%0.76228%0.282SS*.THydrogen-bonded Turntrans-66.6-21.8169.8-74.5172.78.800113.2N234 L236N234-Q238 WeakPolarHBondContact O-CG 3.46Å; N234-Q238 PolarHBondContact O-N 2.82Å; L236-Q238 PolarHBondContact O-N 3.33Å
239L97.9Very high97.1Very high62 Ų6249.1 Ų49.133%0.32527%0.266SS..THydrogen-bonded Turntrans-111.6-25.9-176.3-58.9179.1000113Q113 F227 L236 H237Q113-L239 PolarHBondContact NE2-O 2.97Å; F227-L239 HydrophobicContact CB-CD1 4.42Å; F227-L239 HydrophobicContact CD1-CD1 3.72Å; F227-L239 HydrophobicContact CD2-CD1 4.09Å; F227-L239 HydrophobicContact CE1-CD1 3.92Å; F227-L239 HydrophobicContact CE2-CD1 4.28Å; F227-L239 HydrophobicContact CG-CD1 3.81Å; F227-L239 HydrophobicContact CZ-CD1 4.2Å; L236-L239 WeakPolarHBondContact O-CA 3.47Å; L236-L239 PolarHBondContact O-N 3.33Å; H237-L239 PolarHBondContact O-N 3.38Å
240I98.3Very high97.1Very high0 Ų050.1 Ų50.10%028%0.281CS..SBendtrans-135.6123.7180-52.2175.8000108.3D112 I118 I159 I161 L236 H237 C244 L245D112-I240 HydrophobicContact CB-CG2 4.27Å; I118-I240 HydrophobicContact CD1-CG2 4.22Å; I159-I240 HydrophobicContact CG2-CD1 3.77Å; I161-I240 HydrophobicContact CD1-CD1 3.87Å; I161-I240 HydrophobicContact CG1-CD1 4.29Å; L236-I240 HydrophobicContact CD1-CD1 3.86Å; L236-I240 PolarHBondContact O-N 3.07Å; H237-I240 CarbonylContact C-O 3.6Å; H237-I240 VanDerWaalsContact CA-O 3.24Å; H237-I240 WeakPolarHBondContact CA-O 3.32Å; I240-C244 HydrophobicContact CG2-CB 4.36Å; I240-L245 HydrophobicContact CB-CD1 4.25Å; I240-L245 HydrophobicContact CG2-CD1 4Å; I240-L245 HydrophobicContact CG2-CD2 3.91Å; I240-L245 HydrophobicContact CG2-CG 3.87Å
241L98.3Very high97.2Very high85 Ų8550 Ų5045%0.44528%0.28SS..  trans-63.9138.7-177.7-63.2-176.5000111.8Q113 D243 C244Q113-L241 HydrophobicContact CB-CD1 3.58Å; Q113-L241 HydrophobicContact CB-CG 3.87Å; Q113-L241 HydrophobicContact CG-CD1 4.15Å; Q113-L241 HydrophobicContact CG-CG 4.03Å; L241-D243 PolarHBondContact O-N 2.86Å; L241-D243 VanDerWaalsContact O-N 3.14Å; L241-C244 WeakPolarHBondContact O-CB 3.27Å; L241-C244 PolarHBondContact O-N 3.14Å
242P97.9Very high97.4Very high38 Ų3848.2 Ų48.225%0.24727%0.273CS..G310 helixtrans-53.8-31.6177-28.936000114.3H237 C244 L245 G251 T252H237-P242 HydrophobicContact CB-CG 4.11Å; P242-C244 PolarHBondContact O-N 3.19Å; P242-L245 PolarHBondContact O-N 3.4Å; P242-G251 CarbonylContact O-C 3.56Å; P242-G251 WeakPolarHBondContact O-CA 3.11Å; P242-T252 PolarHBondContact O-N 2.95Å
243D97.9Very high97.6Very high104 Ų10447.2 Ų47.256%0.55627%0.268SS*.G310 helixtrans-65.4-18.1179.7-62.61.8000113.5L241 T252 L253L241-D243 PolarHBondContact O-N 2.86Å; L241-D243 VanDerWaalsContact O-N 3.14Å; D243-T252 WeakPolarHBondContact CA-OG1 3.26Å; D243-L253 WeakPolarHBondContact O-CD2 3.23Å; D243-L253 WeakPolarHBondContact O-CG 3.38Å
244C97.7Very high97.7Very high13 Ų1349.9 Ų49.99%0.08829%0.288CS..G310 helixtrans-92.8-4176.7-58.70000112.8L108 P111 I118 I240 L241 P242 L253L108-C244 WeakPolarHBondContact CD1-O 3.5Å; P111-C244 PolarHBondContact O-SG 3.38Å; I118-C244 HydrophobicContact CD1-CB 4.23Å; I240-C244 HydrophobicContact CG2-CB 4.36Å; L241-C244 WeakPolarHBondContact O-CB 3.27Å; L241-C244 PolarHBondContact O-N 3.14Å; P242-C244 PolarHBondContact O-N 3.19Å; C244-L253 WeakPolarHBondContact O-CD1 3.31Å
245L98.5Very high97.7Very high0 Ų048.7 Ų48.70%029%0.286CS..SBendtrans-117.6145.9-168.3-67.9175.5000112.2I118 I161 L236 I240 P242 F249 G251 T252 L253I118-L245 HydrophobicContact CD1-CD2 4.33Å; I161-L245 HydrophobicContact CD1-CD2 3.58Å; L236-L245 HydrophobicContact CD2-CD1 3.92Å; L236-L245 HydrophobicContact CG-CD1 4.34Å; I240-L245 HydrophobicContact CB-CD1 4.25Å; I240-L245 HydrophobicContact CG2-CD1 4Å; I240-L245 HydrophobicContact CG2-CD2 3.91Å; I240-L245 HydrophobicContact CG2-CG 3.87Å; P242-L245 PolarHBondContact O-N 3.4Å; L245-F249 HydrophobicContact CB-CB 4.3Å; L245-F249 HydrophobicContact CD1-CB 4.21Å; L245-G251 CarbonylContact O-C 3.57Å; L245-G251 VanDerWaalsContact O-CA 3.25Å; L245-G251 WeakPolarHBondContact O-CA 3.35Å; L245-T252 PolarHBondContact O-N 3.02Å; L245-L253 VanDerWaalsContact O-CB 3.24Å; L245-L253 WeakPolarHBondContact O-CB 3.5Å; L245-L253 WeakPolarHBondContact O-CG 3.41Å; L245-L253 PolarHBondContact O-N 3.4Å
246P98Very high97.6Very high2 Ų248.7 Ų48.71%0.01328%0.283CS..BIsolated β-bridgetrans-73.4165.1170.135.9-39.8000111.7L108 I120 E248 F249 G251 P254L108-P246 HydrophobicContact CD2-CG 4.36Å; I120-P246 HydrophobicContact CD1-CG 4.27Å; P246-E248 WeakPolarHBondContact CB-OE2 3.4Å; P246-E248 PolarHBondContact O-N 3.01Å; P246-E248 VanDerWaalsContact O-N 3.15Å; P246-F249 HydrophobicContact CG-CD2 3.63Å; P246-F249 HydrophobicContact CG-CE2 4Å; P246-F249 PolarHBondContact O-N 3.14Å; P246-G251 PolarHBondContact O-N 3.33Å; P246-P254 VanDerWaalsContact CB-O 3.22Å; P246-P254 WeakPolarHBondContact CB-O 3.37Å
247S97.3Very high97.4Very high56 Ų5652.4 Ų52.439%0.39230%0.303SS..G310 helixtrans-57.3-29.1-174.363.70000114.9F249 G250 L253 P255S247-F249 PolarHBondContact O-N 3.14Å; S247-G250 PolarHBondContact O-N 3.14Å; S247-L253 PolarHBondContact N-O 3.45Å; S247-P255 WeakPolarHBondContact OG-CG 3.45Å
248E96.6Very high97.1Very high61 Ų6153.1 Ų53.129%0.28531%0.307SS..G310 helixtrans-60.6-28.7177.2-6587.7152.800111.9F122 P246 P255 Y256F122-E248 HydrophobicContact CE1-CB 4.14Å; F122-E248 HydrophobicContact CE1-CG 4.21Å; F122-E248 HydrophobicContact CZ-CB 4.38Å; F122-E248 HydrophobicContact CZ-CG 4.34Å; P246-E248 WeakPolarHBondContact CB-OE2 3.4Å; P246-E248 PolarHBondContact O-N 3.01Å; P246-E248 VanDerWaalsContact O-N 3.15Å; E248-P255 WeakPolarHBondContact OE1-CA 3.41Å; E248-P255 WeakPolarHBondContact OE2-CA 3.37Å; E248-Y256 PolarHBondContact OE1-N 3.32Å; E248-Y256 PolarHBondContact OE2-N 2.92Å
249F97.8Very high96.7Very high0 Ų045.7 Ų45.70%028%0.275CS..G310 helixtrans-103.919.9175.8-54.7-61.8000112.3I120 F122 I161 D163 V201 L236 H237 L245 P246 S247 G251I120-F249 HydrophobicContact CD1-CE2 3.83Å; I120-F249 HydrophobicContact CG1-CE2 4.05Å; I120-F249 HydrophobicContact CG2-CE2 3.69Å; I120-F249 HydrophobicContact CG2-CZ 3.56Å; F122-F249 HydrophobicContact CE1-CE2 4.29Å; F122-F249 AromaticContact CE1-CZ 3.75Å; F122-F249 HydrophobicContact CE1-CZ 3.75Å; F122-F249 AromaticContact CZ-CE2 3.93Å; F122-F249 HydrophobicContact CZ-CE2 3.93Å; F122-F249 AromaticContact CZ-CZ 3.81Å; F122-F249 HydrophobicContact CZ-CZ 3.81Å; I161-F249 HydrophobicContact CG2-CD1 4.1Å; I161-F249 HydrophobicContact CG2-CE1 3.73Å; I161-F249 HydrophobicContact CG2-CE2 4.43Å; I161-F249 HydrophobicContact CG2-CZ 3.92Å; D163-F249 HydrophobicContact CB-CE1 3.92Å; D163-F249 HydrophobicContact CB-CZ 4.23Å; V201-F249 HydrophobicContact CG2-CD1 3.94Å; V201-F249 HydrophobicContact CG2-CE1 3.67Å; L236-F249 HydrophobicContact CD2-CB 4.02Å; H237-F249 PolarHBondContact NE2-O 2.83Å; L245-F249 HydrophobicContact CB-CB 4.3Å; L245-F249 HydrophobicContact CD1-CB 4.21Å; P246-F249 HydrophobicContact CG-CD2 3.63Å; P246-F249 HydrophobicContact CG-CE2 4Å; P246-F249 PolarHBondContact O-N 3.14Å; S247-F249 PolarHBondContact O-N 3.14Å; F249-G251 VanDerWaalsContact C-N 3.26Å; F249-G251 PolarHBondContact O-N 3.45Å
250G96.7Very high96.5Very high37 Ų3745.9 Ų45.938%0.38128%0.275SS..THydrogen-bonded Turntrans68.124.2179.900000113.8H237 S247H237-G250 PolarHBondContact CE1-O 2.64Å; H237-G250 VanDerWaalsContact CE1-O 3.25Å; S247-G250 PolarHBondContact O-N 3.14Å
251G97.6Very high96.4Very high16 Ų1646.9 Ų46.917%0.16528%0.279CS..  trans-90.7-176.4176.700000114P242 L245 P246 F249P242-G251 CarbonylContact O-C 3.56Å; P242-G251 WeakPolarHBondContact O-CA 3.11Å; L245-G251 CarbonylContact O-C 3.57Å; L245-G251 VanDerWaalsContact O-CA 3.25Å; L245-G251 WeakPolarHBondContact O-CA 3.35Å; P246-G251 PolarHBondContact O-N 3.33Å; F249-G251 VanDerWaalsContact C-N 3.26Å; F249-G251 PolarHBondContact O-N 3.45Å
252T97.8Very high96.2Very high95 Ų9542.9 Ų42.958%0.58326%0.258SS*.SBendtrans-100.7-8.4-177.1710000113.9P242 D243 L245P242-T252 PolarHBondContact O-N 2.95Å; D243-T252 WeakPolarHBondContact CA-OG1 3.26Å; L245-T252 PolarHBondContact O-N 3.02Å
253L97.6Very high96Very high45 Ų4544.6 Ų44.624%0.23626%0.259CS..BIsolated β-bridgetrans-73.5156174.2-56.8178.4000110T110 D243 C244 L245 S247T110-L253 HydrophobicContact CG2-CD1 4.47Å; D243-L253 WeakPolarHBondContact O-CD2 3.23Å; D243-L253 WeakPolarHBondContact O-CG 3.38Å; C244-L253 WeakPolarHBondContact O-CD1 3.31Å; L245-L253 VanDerWaalsContact O-CB 3.24Å; L245-L253 WeakPolarHBondContact O-CB 3.5Å; L245-L253 WeakPolarHBondContact O-CG 3.41Å; L245-L253 PolarHBondContact O-N 3.4Å; S247-L253 PolarHBondContact N-O 3.45Å
254P97.1Very high95.8Very high99 Ų9944 Ų4464%0.64326%0.259SS*.PPolyproline II helixtrans-58.5164.4174.526.1-36.2000111.9P246 Y256P246-P254 VanDerWaalsContact CB-O 3.22Å; P246-P254 WeakPolarHBondContact CB-O 3.37Å; P254-Y256 PolarHBondContact O-N 3.03Å
255P96.9Very high95.5Very high87 Ų8744.9 Ų44.957%0.56526%0.263SS*.PPolyproline II helixtrans-48.8140.9170.4-24.932.4000111.6S247 E248 D257S247-P255 WeakPolarHBondContact OG-CG 3.45Å; E248-P255 WeakPolarHBondContact OE1-CA 3.41Å; E248-P255 WeakPolarHBondContact OE2-CA 3.37Å; P255-D257 PolarHBondContact O-N 3.16Å
256Y96.3Very high95Very high21 Ų2146.8 Ų46.88%0.08227%0.273CS..PPolyproline II helixtrans-71.4122.9-176.1-178.7-105.1000110.7G106 V107 L108 I120 F122 E248 P254 M258 I260G106-Y256 WeakPolarHBondContact CA-OH 3.26Å; V107-Y256 PolarHBondContact N-OH 3.42Å; L108-Y256 HydrophobicContact CD2-CD2 3.42Å; L108-Y256 VanDerWaalsContact CD2-CD2 3.42Å; L108-Y256 HydrophobicContact CD2-CE2 3.76Å; L108-Y256 HydrophobicContact CD2-CG 4.38Å; I120-Y256 HydrophobicContact CD1-CD2 4.46Å; I120-Y256 HydrophobicContact CD1-CG 4.47Å; F122-Y256 AromaticContact CE2-CD1 3.97Å; F122-Y256 HydrophobicContact CE2-CD1 3.97Å; E248-Y256 PolarHBondContact OE1-N 3.32Å; E248-Y256 PolarHBondContact OE2-N 2.92Å; P254-Y256 PolarHBondContact O-N 3.03Å; Y256-M258 HydrophobicContact CD1-CE 4.25Å; Y256-M258 HydrophobicContact CD1-SD 3.74Å; Y256-M258 HydrophobicContact CE1-SD 4.1Å; Y256-M258 PolarHBondContact O-N 3.33Å; Y256-I260 HydrophobicContact CE2-CG2 3.81Å; Y256-I260 WeakPolarHBondContact OH-CG2 3.32Å
257D94.4Very high94.1Very high79 Ų7947.8 Ų47.842%0.42228%0.284SS..  trans-76.3103.3171.6-179-17.9000109.7P255 G259 I260 R263P255-D257 PolarHBondContact O-N 3.16Å; D257-G259 PolarHBondContact O-N 2.78Å; D257-G259 VanDerWaalsContact O-N 3.1Å; D257-G259 PolarHBondContact OD1-N 3.24Å; D257-I260 HydrophobicContact CB-CB 4.21Å; D257-I260 WeakPolarHBondContact O-CB 3.4Å; D257-I260 WeakPolarHBondContact O-CG2 3.23Å; D257-I260 PolarHBondContact O-N 3.18Å; D257-I260 VanDerWaalsContact O-N 3.08Å; D257-I260 PolarHBondContact OD1-N 3.48Å; D257-R263 IonicContact OD1-CZ 3.54Å; D257-R263 IonicContact OD1-NH1 3.91Å; D257-R263 IonicContact OD1-NH2 3.67Å; D257-R263 PolarHBondContact OD1-NH2 2.89Å; D257-R263 IonicContact OD2-CZ 2.67Å; D257-R263 IonicContact OD2-NH1 2.67Å; D257-R263 IonicContact OD2-NH2 3.78Å; D257-R263 PolarHBondContact OD2-NH2 3.28Å
258M90.8Very high92.4Very high52 Ų5251.4 Ų51.426%0.25631%0.306SS..THydrogen-bonded Turntrans-55.9-30-176.7-60.3-69167.500113.5F122 Y256F122-M258 HydrophobicContact CD1-CE 4.19Å; F122-M258 HydrophobicContact CD2-CE 3.22Å; F122-M258 HydrophobicContact CD2-SD 3.42Å; F122-M258 WeakPolarHBondContact CD2-SD 3.46Å; F122-M258 HydrophobicContact CE1-CE 4.15Å; F122-M258 HydrophobicContact CE2-CE 3.14Å; F122-M258 HydrophobicContact CE2-SD 3.61Å; F122-M258 HydrophobicContact CG-CE 3.74Å; F122-M258 HydrophobicContact CG-SD 4.3Å; F122-M258 HydrophobicContact CZ-CE 3.64Å; Y256-M258 HydrophobicContact CD1-CE 4.25Å; Y256-M258 HydrophobicContact CD1-SD 3.74Å; Y256-M258 HydrophobicContact CE1-SD 4.1Å; Y256-M258 PolarHBondContact O-N 3.33Å
259G90.1Very high90.6Very high8 Ų856.7 Ų56.78%0.08234%0.336CS..THydrogen-bonded Turntrans-84.8-12.8-177.600000114.1D257 W261 A262 R263D257-G259 PolarHBondContact O-N 2.78Å; D257-G259 VanDerWaalsContact O-N 3.1Å; D257-G259 PolarHBondContact OD1-N 3.24Å; G259-W261 VanDerWaalsContact C-N 3.3Å; G259-W261 PolarHBondContact O-N 2.94Å; G259-A262 PolarHBondContact O-N 3.26Å; G259-R263 WeakPolarHBondContact O-CG 3.33Å; G259-R263 PolarHBondContact O-N 3.04Å
260I93.9Very high88.8Confident66 Ų6658.2 Ų58.234%0.33834%0.342SS..Hα-helixtrans-59.6-40.5-171.4-163172.4000112.6Y256 D257 T264Y256-I260 HydrophobicContact CE2-CG2 3.81Å; Y256-I260 WeakPolarHBondContact OH-CG2 3.32Å; D257-I260 HydrophobicContact CB-CB 4.21Å; D257-I260 WeakPolarHBondContact O-CB 3.4Å; D257-I260 WeakPolarHBondContact O-CG2 3.23Å; D257-I260 PolarHBondContact O-N 3.18Å; D257-I260 VanDerWaalsContact O-N 3.08Å; D257-I260 PolarHBondContact OD1-N 3.48Å; I260-T264 WeakPolarHBondContact O-CB 3.48Å; I260-T264 PolarHBondContact O-N 3.31Å; I260-T264 PolarHBondContact O-OG1 3.37Å
261W95.6Very high86.9Confident21 Ų2160.5 Ų60.58%0.0835%0.346CS..Hα-helixtrans-71.5-42.5-179.7-178-122.1000111.9P105 V107 S143 V146 L147 G259 R263 T264 L265P105-W261 VanDerWaalsContact O-CD1 3.25Å; V107-W261 HydrophobicContact CB-CB 4.31Å; V107-W261 HydrophobicContact CB-CD2 3.7Å; V107-W261 HydrophobicContact CB-CE3 3.81Å; V107-W261 HydrophobicContact CB-CG 3.91Å; V107-W261 HydrophobicContact CB-CZ3 4.42Å; V107-W261 HydrophobicContact CG1-CD2 4.45Å; V107-W261 HydrophobicContact CG1-CE3 4.17Å; V107-W261 HydrophobicContact CG1-CZ3 4.33Å; V107-W261 HydrophobicContact CG2-CB 4.42Å; V107-W261 HydrophobicContact CG2-CD2 3.48Å; V107-W261 VanDerWaalsContact CG2-CD2 3.48Å; V107-W261 HydrophobicContact CG2-CE3 4.04Å; V107-W261 HydrophobicContact CG2-CG 3.63Å; V107-W261 HydrophobicContact CG2-CZ2 4.1Å; S143-W261 PolarHBondContact OG-NE1 2.93Å; V146-W261 HydrophobicContact CG1-CH2 4.35Å; L147-W261 HydrophobicContact CD1-CZ2 4.42Å; L147-W261 HydrophobicContact CD2-CH2 3.69Å; L147-W261 HydrophobicContact CD2-CZ2 4.35Å; L147-W261 HydrophobicContact CD2-CZ3 4.24Å; L147-W261 HydrophobicContact CG-CH2 3.95Å; L147-W261 HydrophobicContact CG-CZ2 4.15Å; G259-W261 VanDerWaalsContact C-N 3.3Å; G259-W261 PolarHBondContact O-N 2.94Å; W261-R263 VanDerWaalsContact C-N 3.34Å; W261-R263 PolarHBondContact O-N 3.48Å; W261-T264 HydrophobicContact CE3-CG2 4.13Å; W261-T264 HydrophobicContact CZ3-CG2 3.9Å; W261-T264 WeakPolarHBondContact O-CB 3.46Å; W261-T264 PolarHBondContact O-N 3.07Å; W261-T264 VanDerWaalsContact O-N 3.17Å; W261-L265 HydrophobicContact CD2-CD1 4.36Å; W261-L265 HydrophobicContact CD2-CG 4.25Å; W261-L265 HydrophobicContact CH2-CD2 3.82Å; W261-L265 HydrophobicContact CH2-CG 4.24Å; W261-L265 HydrophobicContact CZ2-CD1 3.75Å; W261-L265 HydrophobicContact CZ2-CD2 3.66Å; W261-L265 HydrophobicContact CZ2-CG 3.8Å; W261-L265 HydrophobicContact CZ3-CD2 4.49Å; W261-L265 PolarHBondContact O-N 2.63Å
262A94.3Very high84.9Confident0 Ų062.8 Ų62.80%035%0.354CS..Hα-helixtrans-59.3-45.6175.300000111.4L100 M101 G259 T264 L265 L266L100-A262 HydrophobicContact CB-CB 3.98Å; M101-A262 HydrophobicContact CG-CB 4.47Å; M101-A262 HydrophobicContact SD-CB 3.46Å; M101-A262 WeakPolarHBondContact SD-CB 3.13Å; G259-A262 PolarHBondContact O-N 3.26Å; A262-T264 VanDerWaalsContact C-N 3.31Å; A262-T264 PolarHBondContact O-N 3.02Å; A262-L265 PolarHBondContact O-N 2.72Å; A262-L266 HydrophobicContact CB-CD1 4.32Å; A262-L266 VanDerWaalsContact O-CB 3.29Å; A262-L266 WeakPolarHBondContact O-CB 3.35Å; A262-L266 VanDerWaalsContact O-CG 3.31Å; A262-L266 WeakPolarHBondContact O-CG 3.22Å; A262-L266 PolarHBondContact O-N 2.94Å
263R92.6Very high82.8Confident74 Ų7465.3 Ų65.328%0.27936%0.359SS..Hα-helixtrans-61.9-37.7175.7-68.8-168.1-62.8-90.5-6.9112.7D257 G259 W261 L265 G267 Y270 D272D257-R263 IonicContact OD1-CZ 3.54Å; D257-R263 IonicContact OD1-NH1 3.91Å; D257-R263 IonicContact OD1-NH2 3.67Å; D257-R263 PolarHBondContact OD1-NH2 2.89Å; D257-R263 IonicContact OD2-CZ 2.67Å; D257-R263 IonicContact OD2-NH1 2.67Å; D257-R263 IonicContact OD2-NH2 3.78Å; D257-R263 PolarHBondContact OD2-NH2 3.28Å; G259-R263 WeakPolarHBondContact O-CG 3.33Å; G259-R263 PolarHBondContact O-N 3.04Å; W261-R263 VanDerWaalsContact C-N 3.34Å; W261-R263 PolarHBondContact O-N 3.48Å; R263-L265 VanDerWaalsContact C-N 3.33Å; R263-L265 PolarHBondContact O-N 3.17Å; R263-G267 PolarHBondContact O-N 3.17Å; R263-Y270 HydrophobicContact CG-CD1 3.63Å; R263-Y270 HydrophobicContact CG-CE1 3.97Å; R263-D272 IonicContact CZ-OD2 2.81Å; R263-D272 IonicContact NH1-OD2 2.81Å; R263-D272 PolarHBondContact NH1-OD2 2.88Å
264T93.4Very high80.5Confident91 Ų9167 Ų6756%0.55837%0.372SS*.Hα-helixtrans-61.1-42.2175.6-59.60000111.5I260 W261 A262I260-T264 WeakPolarHBondContact O-CB 3.48Å; I260-T264 PolarHBondContact O-N 3.31Å; I260-T264 PolarHBondContact O-OG1 3.37Å; W261-T264 HydrophobicContact CE3-CG2 4.13Å; W261-T264 HydrophobicContact CZ3-CG2 3.9Å; W261-T264 WeakPolarHBondContact O-CB 3.46Å; W261-T264 PolarHBondContact O-N 3.07Å; W261-T264 VanDerWaalsContact O-N 3.17Å; A262-T264 VanDerWaalsContact C-N 3.31Å; A262-T264 PolarHBondContact O-N 3.02Å
265L93Very high78.4Confident32 Ų3265.3 Ų65.317%0.16836%0.355CS..Hα-helixtrans-81.1-35.3-179.1-66.3-178.3000113.9V91 L100 L142 V146 W261 A262 R263V91-L265 HydrophobicContact CG2-CB 3.58Å; V91-L265 HydrophobicContact CG2-CD1 4.4Å; L100-L265 HydrophobicContact CD1-CD1 3.84Å; L100-L265 HydrophobicContact CD2-CD1 4.01Å; L142-L265 HydrophobicContact CD2-CD1 4.07Å; V146-L265 HydrophobicContact CB-CD2 4.19Å; V146-L265 HydrophobicContact CG1-CD2 3.82Å; V146-L265 HydrophobicContact CG2-CD2 3.99Å; W261-L265 HydrophobicContact CD2-CD1 4.36Å; W261-L265 HydrophobicContact CD2-CG 4.25Å; W261-L265 HydrophobicContact CH2-CD2 3.82Å; W261-L265 HydrophobicContact CH2-CG 4.24Å; W261-L265 HydrophobicContact CZ2-CD1 3.75Å; W261-L265 HydrophobicContact CZ2-CD2 3.66Å; W261-L265 HydrophobicContact CZ2-CG 3.8Å; W261-L265 HydrophobicContact CZ3-CD2 4.49Å; W261-L265 PolarHBondContact O-N 2.63Å; A262-L265 PolarHBondContact O-N 2.72Å; R263-L265 VanDerWaalsContact C-N 3.33Å; R263-L265 PolarHBondContact O-N 3.17Å
266L87.1Confident76Confident41 Ų4168.6 Ų68.622%0.21536%0.357CS..Hα-helixtrans-84.4-19.6-177.1-68.1164.9000113V91 K97 M101 A262 Y270V91-L266 HydrophobicContact CB-CD2 4.41Å; V91-L266 HydrophobicContact CG1-CD2 4.17Å; V91-L266 HydrophobicContact CG2-CD2 3.62Å; V91-L266 HydrophobicContact CG2-CG 3.92Å; K97-L266 HydrophobicContact CD-CD2 4.25Å; K97-L266 HydrophobicContact CG-CD1 4.04Å; K97-L266 HydrophobicContact CG-CD2 4.14Å; M101-L266 HydrophobicContact SD-CD1 4.17Å; A262-L266 HydrophobicContact CB-CD1 4.32Å; A262-L266 VanDerWaalsContact O-CB 3.29Å; A262-L266 WeakPolarHBondContact O-CB 3.35Å; A262-L266 VanDerWaalsContact O-CG 3.31Å; A262-L266 WeakPolarHBondContact O-CG 3.22Å; A262-L266 PolarHBondContact O-N 2.94Å; L266-Y270 HydrophobicContact CB-CD2 4.07Å; L266-Y270 HydrophobicContact CB-CG 4.24Å; L266-Y270 HydrophobicContact CD1-CD2 3.62Å; L266-Y270 HydrophobicContact CD1-CE2 3.74Å; L266-Y270 HydrophobicContact CD1-CG 4.32Å; L266-Y270 HydrophobicContact CG-CD2 4.42Å
267G80.3Confident73.5Confident22 Ų2271.1 Ų71.123%0.22738%0.375CS..  trans82175.8177.700000114.6R263 N269 Y270R263-G267 PolarHBondContact O-N 3.17Å; G267-N269 VanDerWaalsContact C-N 3.29Å; G267-N269 PolarHBondContact O-N 3.23Å; G267-Y270 WeakPolarHBondContact O-CB 3.48Å; G267-Y270 PolarHBondContact O-N 2.74Å
268P60.6Low71.1Confident133 Ų13372.6 Ų72.686%0.86438%0.382SS*.THydrogen-bonded Turntrans-72.1-11.8-168.426.9-34.8000115.7Y270P268-Y270 PolarHBondContact O-N 3.18Å
269N57.9Low69.1Low171 Ų17172 Ų7291%0.91438%0.382SS*.THydrogen-bonded Turntrans-761.3172.5-67.7-22.9000112.6G267G267-N269 VanDerWaalsContact C-N 3.29Å; G267-N269 PolarHBondContact O-N 3.23Å
270Y59.9Low66.8Low33 Ų3377.7 Ų77.713%0.12940%0.402CS..  trans-84.6127177-177.5-91.3000111M101 R263 L266 G267 P268 D272 E275M101-Y270 HydrophobicContact CE-CE1 3.96Å; M101-Y270 WeakPolarHBondContact CE-OH 3.18Å; M101-Y270 HydrophobicContact SD-CE1 3.93Å; M101-Y270 HydrophobicContact SD-CE2 3.83Å; M101-Y270 PolarHBondContact SD-OH 2.82Å; R263-Y270 HydrophobicContact CG-CD1 3.63Å; R263-Y270 HydrophobicContact CG-CE1 3.97Å; L266-Y270 HydrophobicContact CB-CD2 4.07Å; L266-Y270 HydrophobicContact CB-CG 4.24Å; L266-Y270 HydrophobicContact CD1-CD2 3.62Å; L266-Y270 HydrophobicContact CD1-CE2 3.74Å; L266-Y270 HydrophobicContact CD1-CG 4.32Å; L266-Y270 HydrophobicContact CG-CD2 4.42Å; G267-Y270 WeakPolarHBondContact O-CB 3.48Å; G267-Y270 PolarHBondContact O-N 2.74Å; P268-Y270 PolarHBondContact O-N 3.18Å; Y270-D272 WeakPolarHBondContact CE1-OD1 3.2Å; Y270-E275 WeakPolarHBondContact CE2-OE2 3.38Å
271N57.2Low64.4Low85 Ų8578.4 Ų78.446%0.45541%0.406SS..  trans-123116.6174.8-170.924.2000110.4E273 T274N271-E273 PolarHBondContact O-N 3.06Å; N271-T274 PolarHBondContact ND2-OG1 3.49Å; N271-T274 VanDerWaalsContact ND2-OG1 3.13Å; N271-T274 PolarHBondContact O-N 3.41Å
272D56.6Low61.8Low63 Ų6380.1 Ų80.134%0.33743%0.425SS..Hα-helixtrans-55-34.9179.1-88.5-46.3000112M101 R263 Y270 Y276M101-D272 WeakPolarHBondContact CE-OD1 3.36Å; R263-D272 IonicContact CZ-OD2 2.81Å; R263-D272 IonicContact NH1-OD2 2.81Å; R263-D272 PolarHBondContact NH1-OD2 2.88Å; Y270-D272 WeakPolarHBondContact CE1-OD1 3.2Å; D272-Y276 PolarHBondContact O-N 3.42Å
273E52.3Low59.3Low149 Ų14984.4 Ų84.470%0.69645%0.447SS*.Hα-helixtrans-75.1-33.5-172.3-63.7-164.9157.500114.1N271 T277N271-E273 PolarHBondContact O-N 3.06Å; E273-T277 WeakPolarHBondContact O-CB 3.45Å; E273-T277 PolarHBondContact O-OG1 3.24Å
274T51.2Low57.1Low81 Ų8184.5 Ų84.550%0.49745%0.451SS..Hα-helixtrans-77.9-37-175.1-35.70000111.1N271 L278N271-T274 PolarHBondContact ND2-OG1 3.49Å; N271-T274 VanDerWaalsContact ND2-OG1 3.13Å; N271-T274 PolarHBondContact O-N 3.41Å; T274-L278 HydrophobicContact CG2-CD1 4.07Å; T274-L278 WeakPolarHBondContact O-CB 3.49Å; T274-L278 VanDerWaalsContact O-CD1 3.26Å; T274-L278 WeakPolarHBondContact O-CD1 3.13Å; T274-L278 WeakPolarHBondContact O-CG 3.24Å; T274-L278 PolarHBondContact O-N 2.94Å; T274-L278 VanDerWaalsContact O-N 3.14Å
275E52.1Low54.7Low62 Ų6284.2 Ų84.229%0.2945%0.448SS..Hα-helixtrans-88.6-32.7-171.3-163.3164.9-165.300113.6K97 Y270 T277 L278 T279K97-E275 WeakPolarHBondContact CE-OE1 3.46Å; K97-E275 WeakPolarHBondContact CE-OE2 3.39Å; K97-E275 IonicContact NZ-OE1 2.65Å; K97-E275 PolarHBondContact NZ-OE1 3.12Å; K97-E275 IonicContact NZ-OE2 3.47Å; K97-E275 PolarHBondContact NZ-OE2 2.66Å; Y270-E275 WeakPolarHBondContact CE2-OE2 3.38Å; E275-T277 VanDerWaalsContact C-N 3.35Å; E275-L278 PolarHBondContact O-N 3.02Å; E275-T279 HydrophobicContact CG-CG2 4.47Å; E275-T279 WeakPolarHBondContact O-CB 3.13Å; E275-T279 WeakPolarHBondContact O-CG2 3.23Å; E275-T279 PolarHBondContact O-N 2.92Å; E275-T279 PolarHBondContact O-OG1 3.49Å
276Y47Very low52.2Low156 Ų15691.1 Ų91.161%0.61248%0.477SS*.Hα-helixtrans-64.1-42.7172.4-160.5-90.1000110.8D272 T279 Y280D272-Y276 PolarHBondContact O-N 3.42Å; Y276-T279 PolarHBondContact O-N 2.91Å; Y276-T279 PolarHBondContact O-OG1 3.15Å; Y276-Y280 WeakPolarHBondContact O-CB 3.39Å; Y276-Y280 PolarHBondContact O-N 3.08Å
277T43.7Very low49.9Very low74 Ų7496.2 Ų96.245%0.45450%0.5SS..Hα-helixtrans-65.4-45.8176-45.30000111.3E273 E275 T279 Y280 D281E273-T277 WeakPolarHBondContact O-CB 3.45Å; E273-T277 PolarHBondContact O-OG1 3.24Å; E275-T277 VanDerWaalsContact C-N 3.35Å; T277-T279 PolarHBondContact O-N 3.31Å; T277-Y280 PolarHBondContact O-N 3.19Å; T277-D281 VanDerWaalsContact O-CB 3.23Å; T277-D281 WeakPolarHBondContact O-CB 3.49Å; T277-D281 PolarHBondContact O-N 3.2Å
278L44.5Very low47.8Very low111 Ų111101.8 Ų101.858%0.58153%0.525SS*.Hα-helixtrans-63.7-37.4177.3-76.3167.3000113.5T274 E275 A282T274-L278 HydrophobicContact CG2-CD1 4.07Å; T274-L278 WeakPolarHBondContact O-CB 3.49Å; T274-L278 VanDerWaalsContact O-CD1 3.26Å; T274-L278 WeakPolarHBondContact O-CD1 3.13Å; T274-L278 WeakPolarHBondContact O-CG 3.24Å; T274-L278 PolarHBondContact O-N 2.94Å; T274-L278 VanDerWaalsContact O-N 3.14Å; E275-L278 PolarHBondContact O-N 3.02Å; L278-A282 WeakPolarHBondContact O-CB 3.41Å; L278-A282 PolarHBondContact O-N 3.24Å
279T48.1Very low46.6Very low40 Ų40105.9 Ų105.925%0.24552%0.524CS..Hα-helixtrans-77.2-38178.150.20000112.4E275 Y276 T277 L283E275-T279 HydrophobicContact CG-CG2 4.47Å; E275-T279 WeakPolarHBondContact O-CB 3.13Å; E275-T279 WeakPolarHBondContact O-CG2 3.23Å; E275-T279 PolarHBondContact O-N 2.92Å; E275-T279 PolarHBondContact O-OG1 3.49Å; Y276-T279 PolarHBondContact O-N 2.91Å; Y276-T279 PolarHBondContact O-OG1 3.15Å; T277-T279 PolarHBondContact O-N 3.31Å; T279-L283 WeakPolarHBondContact O-CB 3.21Å; T279-L283 WeakPolarHBondContact O-CD1 3.08Å; T279-L283 WeakPolarHBondContact O-CG 3.35Å; T279-L283 PolarHBondContact O-N 3.13Å
280Y42.3Very low45.7Very low127 Ų127101 Ų10150%0.49852%0.515SS..Hα-helixtrans-60.9-49.7171.2-172.1-94.4000110.6Y276 T277 A282 L283 H284Y276-Y280 WeakPolarHBondContact O-CB 3.39Å; Y276-Y280 PolarHBondContact O-N 3.08Å; T277-Y280 PolarHBondContact O-N 3.19Å; Y280-A282 PolarHBondContact O-N 2.99Å; Y280-L283 PolarHBondContact O-N 2.84Å; Y280-H284 AromaticContact CD1-CD2 3.58Å; Y280-H284 AromaticContact CD2-CD2 3.82Å; Y280-H284 AromaticContact CD2-NE2 3.79Å; Y280-H284 AromaticContact CE1-CD2 3.35Å; Y280-H284 WeakPolarHBondContact CE1-CD2 3.24Å; Y280-H284 AromaticContact CE1-NE2 3.75Å; Y280-H284 AromaticContact CE2-CD2 3.63Å; Y280-H284 AromaticContact CE2-NE2 3.24Å; Y280-H284 WeakPolarHBondContact CE2-NE2 3.39Å; Y280-H284 AromaticContact CG-CD2 3.8Å; Y280-H284 AromaticContact CZ-CD2 3.38Å; Y280-H284 AromaticContact CZ-NE2 3.21Å; Y280-H284 PolarHBondContact O-CD2 3.18Å; Y280-H284 PolarHBondContact O-N 2.86Å; Y280-H284 PolarHBondContact OH-NE2 2.78Å
281D41.9Very low44.5Very low81 Ų81103.1 Ų103.143%0.43355%0.546SS..Hα-helixtrans-64-42178-69.7-16.1000111.7T277 L283 H284 V285T277-D281 VanDerWaalsContact O-CB 3.23Å; T277-D281 WeakPolarHBondContact O-CB 3.49Å; T277-D281 PolarHBondContact O-N 3.2Å; D281-L283 VanDerWaalsContact C-N 3.31Å; D281-L283 PolarHBondContact O-N 3.01Å; D281-H284 PolarHBondContact O-N 3.49Å; D281-V285 VanDerWaalsContact O-CB 3.24Å; D281-V285 WeakPolarHBondContact O-CB 3.44Å; D281-V285 WeakPolarHBondContact O-CG2 3.41Å; D281-V285 PolarHBondContact O-N 3.31Å
282A42.4Very low43.3Very low57 Ų57102.7 Ų102.747%0.47156%0.562SS.*Hα-helixtrans-66.3-30.4177.800000113.7L278 Y280L278-A282 WeakPolarHBondContact O-CB 3.41Å; L278-A282 PolarHBondContact O-N 3.24Å; Y280-A282 PolarHBondContact O-N 2.99Å
283L42.1Very low42.5Very low90 Ų90107.5 Ų107.547%0.47159%0.588SS.*Hα-helixtrans-75.7-39.6174.5-72.3168.2000111.4T279 Y280 D281T279-L283 WeakPolarHBondContact O-CB 3.21Å; T279-L283 WeakPolarHBondContact O-CD1 3.08Å; T279-L283 WeakPolarHBondContact O-CG 3.35Å; T279-L283 PolarHBondContact O-N 3.13Å; Y280-L283 PolarHBondContact O-N 2.84Å; D281-L283 VanDerWaalsContact C-N 3.31Å; D281-L283 PolarHBondContact O-N 3.01Å
284H45.1Very low41.6Very low76 Ų76110.4 Ų110.435%0.35260%0.598SS.*Hα-helixtrans-81-23.1179-74.2-61.9000114.4Y280 D281 K286 E287Y280-H284 AromaticContact CD1-CD2 3.58Å; Y280-H284 AromaticContact CD2-CD2 3.82Å; Y280-H284 AromaticContact CD2-NE2 3.79Å; Y280-H284 AromaticContact CE1-CD2 3.35Å; Y280-H284 WeakPolarHBondContact CE1-CD2 3.24Å; Y280-H284 AromaticContact CE1-NE2 3.75Å; Y280-H284 AromaticContact CE2-CD2 3.63Å; Y280-H284 AromaticContact CE2-NE2 3.24Å; Y280-H284 WeakPolarHBondContact CE2-NE2 3.39Å; Y280-H284 AromaticContact CG-CD2 3.8Å; Y280-H284 AromaticContact CZ-CD2 3.38Å; Y280-H284 AromaticContact CZ-NE2 3.21Å; Y280-H284 PolarHBondContact O-CD2 3.18Å; Y280-H284 PolarHBondContact O-N 2.86Å; Y280-H284 PolarHBondContact OH-NE2 2.78Å; D281-H284 PolarHBondContact O-N 3.49Å; H284-K286 VanDerWaalsContact C-N 3.3Å; H284-E287 IonicContact ND1-OE2 2.74Å; H284-E287 PolarHBondContact O-N 2.96Å
285V43.9Very low40.9Very low84 Ų84115.5 Ų115.551%0.50962%0.617SS.*Hα-helixtrans-69.4-29171.1168.40000111.3D281 E287 N288D281-V285 VanDerWaalsContact O-CB 3.24Å; D281-V285 WeakPolarHBondContact O-CB 3.44Å; D281-V285 WeakPolarHBondContact O-CG2 3.41Å; D281-V285 PolarHBondContact O-N 3.31Å; V285-E287 VanDerWaalsContact C-N 3.34Å; V285-E287 PolarHBondContact O-N 3.37Å; V285-N288 PolarHBondContact O-N 3.27Å
286K39.4Very low39.9Very low178 Ų178118.4 Ų118.477%0.77464%0.642SS**THydrogen-bonded Turntrans-72.8-22176.5-83.6-174.5176.1179.20114.1H284H284-K286 VanDerWaalsContact C-N 3.3Å
287E38.8Very low39.2Very low148 Ų148115.3 Ų115.369%0.69265%0.649SS**THydrogen-bonded Turntrans-81.4-13.9176.7-70.5-171.3148.100113.4H284 V285H284-E287 IonicContact ND1-OE2 2.74Å; H284-E287 PolarHBondContact O-N 2.96Å; V285-E287 VanDerWaalsContact C-N 3.34Å; V285-E287 PolarHBondContact O-N 3.37Å
288N37.1Very low38.9Very low139 Ų139119.3 Ų119.374%0.74367%0.668SS**SBendtrans-99.62.6-174.6-80.7-18.2000115.8V285 G290V285-N288 PolarHBondContact O-N 3.27Å; N288-G290 PolarHBondContact O-N 3.48Å
289Y35.9Very low38.2Very low218 Ų218123.7 Ų123.786%0.85568%0.682SS**  trans-85.663.8166.1-80.2-83.4000110.6
290G38.5Very low37.3Very low70 Ų70129.8 Ų129.872%0.72271%0.712SS**SBendtrans-15835.9-173.600000114N288N288-G290 PolarHBondContact O-N 3.48Å
291G33.6Very low36.8Very low76 Ų76132 Ų13278%0.78473%0.732SS**  trans95.8129158.100000117.7
292G32.3Very low36.2Very low77 Ų77137.6 Ų137.679%0.79475%0.752SS**  trans91.5118.3145.500000117
293D39.4Very low35.6Very low163 Ų163146.5 Ų146.587%0.87277%0.774SS**  trans-42.9133.5169.5-64.9-48.9000113.8
294K33.8Very low34.9Very low210 Ų210147.8 Ų147.891%0.91379%0.79SS**  trans-169.9127.3138.4-106163.9-172.8-179.80112.6
295E37.8Very low34.1Very low189 Ų189153.4 Ų153.488%0.88382%0.817SS**  trans-69130.7172.1-175.3-179.4-151.700111.8
296C30.3Very low33.5Very low122 Ų122154.6 Ų154.682%0.82483%0.828SS**  trans-177.8118.3139.7-118.60000115.5
297A31.7Very low32.9Very low92 Ų92150.8 Ų150.876%0.7683%0.83SS**  trans55.5114.413200000122.3
298D37.3Very low32.5Very low158 Ų158150.2 Ų150.285%0.84584%0.836SS**  trans-46.1132.3159.4-78.4-41.9000114.3
299K30.2Very low32.1Very low202 Ų202152.2 Ų152.288%0.87884%0.841SS**  trans-132.294.8155.1-80.8-174.8179.6175.50110.2L301K299-L301 PolarHBondContact O-N 3.04Å
300L30.6Very low31.8Very low168 Ų168148 Ų14888%0.8884%0.84SS**  trans-56.9112.8160.5-88.7142.2000110K302L300-K302 PolarHBondContact O-N 3.43Å
301L30.1Very low31.3Very low175 Ų175148.4 Ų148.492%0.91685%0.845SS**  trans-69.6105.2169.4-87155.2000109.4K299 R303K299-L301 PolarHBondContact O-N 3.04Å; L301-R303 PolarHBondContact O-N 3.49Å
302K29.7Very low31.1Very low198 Ų198151 Ų15186%0.86185%0.846SS**  trans-64.3124.5167.7-77.4-179.9176.5178.60109.7L300 S304L300-K302 PolarHBondContact O-N 3.43Å; K302-S304 PolarHBondContact O-N 3.46Å
303R29.5Very low30.9Very low244 Ų244154.6 Ų154.692%0.92185%0.846SS**  trans-73.5111.2172-157.3172.3179.6-179.5-0.1108.9L301 Q305L301-R303 PolarHBondContact O-N 3.49Å; R303-Q305 PolarHBondContact O-N 3.05Å
304S29.1Very low30.4Very low117 Ų117158.9 Ų158.982%0.81885%0.85SS**  trans-74.2116.7173.23.40000109.6K302K302-S304 PolarHBondContact O-N 3.46Å
305Q27.9Very low30Very low194 Ų194158.3 Ų158.391%0.90785%0.85SS**  trans-79.3126.4163.6-70.2178.6-10.400108.4R303R303-Q305 PolarHBondContact O-N 3.05Å
306S29.9Very low29.5Very low108 Ų108153.1 Ų153.176%0.75585%0.848SS**  trans-122.3109163.21790000107.8
307A28.6Very low29.4Very low98 Ų98154.1 Ų154.181%0.8185%0.845SS**  trans-64.7143.8166.400000110
308V29.8Very low29.4Very low136 Ų136160.4 Ų160.482%0.82485%0.849SS**  trans-128.3119.5166.6-178.90000107.1
309E28.7Very low28.9Very low181 Ų181161.7 Ų161.785%0.84685%0.85SS**  trans-87.9158.7170.3-91.6-169.9168.800111.5
310P29.9Very low29Very low129 Ų129159.6 Ų159.684%0.83885%0.849SS**  trans-87.6141-160.633.6-33.2000113.8
311G27.5Very low29Very low79 Ų79158.4 Ų158.481%0.81485%0.849SS**  trans-120.8134.9172.600000112.3
312T29.1Very low28.9Very low131 Ų131154.8 Ų154.880%0.80484%0.844SS**  trans-82.5139.2-163.7-42.70000115.2
313L28.6Very low29Very low152 Ų152154.2 Ų154.280%0.79684%0.844SS**  trans17.9133.9154.2-68155000121.7
314R27.7Very low29.1Very low253 Ų253148.5 Ų148.596%0.95584%0.839SS**  -144.9131.5129.6-78.7-160.3171.2175.6-3.3112.9
315Q26.6Very low29.3Very low198 Ų198150.6 Ų150.693%0.92584%0.84SS**  trans-64.1147.5167.7-86.9166.1-44.200112.4
316G27.6Very low29.5Very low81 Ų81149 Ų14984%0.83584%0.837SS**  trans-155118.5163.200000110
317D27.7Very low29.3Very low143 Ų143148.3 Ų148.377%0.76584%0.838SS**  trans-74.3146.5-173-92.9-52.1000115.3
318R30.6Very low29.8Very low223 Ų223151.6 Ų151.684%0.84284%0.841SS**  trans61.2141.6143.8-58175.5-176.5-167.6-1.9118.4
319E28.5Very low30.3Very low186 Ų186155.8 Ų155.887%0.86986%0.858SS**  -165.9153.362.6-123.4166.4-161.800113.1
320N31.5Very low30.4Very low158 Ų158154.5 Ų154.585%0.84586%0.859SS**  trans-71.4134.3177.2-102.2-25.7000113
321T29.6Very low30.4Very low143 Ų143155.8 Ų155.888%0.87786%0.86SS**  trans-149.4108.6144.138.80000110.3
322A29.4Very low30.6Very low99 Ų99160.1 Ų160.182%0.81886%0.863SS**  trans-85.3132168.700000109.8
323Q31.6Very low30.7Very low186 Ų186161.8 Ų161.887%0.86987%0.866SS**  trans-131.1146.9160.7-84.8-174.7-19.700109.5
324P32Very low30.8Very low124 Ų124162.4 Ų162.481%0.80587%0.871SS**PPolyproline II helixtrans-84.1140.6-168.4315.6000112.4
325L33.1Very low31Very low160 Ų160156.4 Ų156.484%0.83887%0.865SS**PPolyproline II helixtrans-72.5124.6170.6-92.6136.1000110.7
326L31.9Very low31.3Very low161 Ų161153.4 Ų153.484%0.84386%0.861SS**PPolyproline II helixtrans-76.2124.5170.6-75.7159.9000110
327A26.2Very low31.6Very low94 Ų94159 Ų15978%0.77786%0.863SS**PPolyproline II helixtrans-69.9133.1160.200000108.6
328L38.3Very low32Very low167 Ų167160.3 Ų160.387%0.87487%0.871SS**PPolyproline II helixtrans-98.4125.9170.1-71.3169.9000108.6
329D40.7Very low32.1Very low223 Ų223154.6 Ų154.6100%1.19387%0.873SS**  trans-590172-68.4-45.2000113.7

Retrieved 329 of 329 residues in 1622.8 ms (Link to these results)

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