A0A077YWK8_TRITR Loading...

Alpha-1,4 glucan phosphorylase

Allosteric enzyme that catalyzes the rate-limiting step in glycogen catabolism, the phosphorolytic cleavage of glycogen to produce glucose-1-phosphate, and plays a central role in maintaining cellular and organismal glucose homeostasis.

AlphaFold DB , UniProt , Accession A0A077YWK8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 887 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
1M45.5Very low55.8Low225 Ų225134.5 Ų134.5100%1.10862%0.616SS**  0154.80-64.6-179.8-179.700108.4
2L46.1Very low55.5Low86 Ų86128.4 Ų128.445%0.4560%0.6SS.*  trans-60.9137.8163.7-74.2160.9000108.8D6 R7 Q10L2-D6 HydrophobicContact CB-CB 4.28Å; L2-D6 HydrophobicContact CD2-CB 3.78Å; L2-R7 HydrophobicContact CB-CG 4.05Å; L2-Q10 VanDerWaalsContact CD1-OE1 3.28Å
3T69.6Low55.5Low73 Ų73120.5 Ų120.545%0.44856%0.564SS.*  trans-69.5161.3173.174.20000109.8R5 D6 R7T3-R5 PolarHBondContact O-N 2.78Å; T3-R5 PolarHBondContact OG1-N 3.38Å; T3-D6 WeakPolarHBondContact CB-OD2 3.24Å; T3-D6 WeakPolarHBondContact CG2-OD2 3.32Å; T3-D6 PolarHBondContact N-OD2 2.81Å; T3-D6 PolarHBondContact O-N 3.03Å; T3-D6 VanDerWaalsContact OG1-CG 3.23Å; T3-D6 PolarHBondContact OG1-N 2.96Å; T3-D6 PolarHBondContact OG1-OD2 3.31Å; T3-R7 PolarHBondContact O-N 3.41Å
4D70.5Confident55.2Low101 Ų101124 Ų12454%0.5457%0.569SS.*Hα-helixtrans-64.5-21175.8-64.7-38000112.7R7 R8D4-R7 VanDerWaalsContact OD1-CD 3.24Å; D4-R7 WeakPolarHBondContact OD1-CD 3.24Å; D4-R7 IonicContact OD1-CZ 3.87Å; D4-R7 IonicContact OD1-NE 3.61Å; D4-R7 IonicContact OD1-NH1 3.68Å; D4-R7 PolarHBondContact OD1-NH1 2.76Å; D4-R8 WeakPolarHBondContact O-CB 3.47Å; D4-R8 WeakPolarHBondContact O-CG 3.37Å; D4-R8 PolarHBondContact O-N 2.95Å
5R58.9Low55.1Low190 Ų190121.6 Ų121.672%0.71759%0.592SS**Hα-helixtrans-68.3-40.4168.6-171.1-178.9-174.6-171.82.1111.7T3 R8 K9T3-R5 PolarHBondContact O-N 2.78Å; T3-R5 PolarHBondContact OG1-N 3.38Å; R5-R8 PolarHBondContact O-N 3.49Å; R5-K9 PolarHBondContact O-N 3.44Å; R5-K9 VanDerWaalsContact O-N 3.16Å
6D53.7Low55.9Low52 Ų52121.6 Ų121.628%0.27859%0.594SS.*Hα-helixtrans-76.2-37.9179.3-52.6-51.1000111.4L2 T3 R8 K9 Q10L2-D6 HydrophobicContact CB-CB 4.28Å; L2-D6 HydrophobicContact CD2-CB 3.78Å; T3-D6 WeakPolarHBondContact CB-OD2 3.24Å; T3-D6 WeakPolarHBondContact CG2-OD2 3.32Å; T3-D6 PolarHBondContact N-OD2 2.81Å; T3-D6 PolarHBondContact O-N 3.03Å; T3-D6 VanDerWaalsContact OG1-CG 3.23Å; T3-D6 PolarHBondContact OG1-N 2.96Å; T3-D6 PolarHBondContact OG1-OD2 3.31Å; D6-R8 VanDerWaalsContact C-N 3.32Å; D6-R8 PolarHBondContact O-N 3Å; D6-K9 WeakPolarHBondContact O-CB 3.41Å; D6-K9 PolarHBondContact O-N 2.97Å; D6-K9 VanDerWaalsContact O-N 3.11Å; D6-Q10 WeakPolarHBondContact O-CB 3.44Å; D6-Q10 PolarHBondContact O-N 3.21Å; D6-Q10 VanDerWaalsContact O-N 3.08Å
7R57.7Low56.7Low135 Ų135115.5 Ų115.551%0.50957%0.567SS.*Hα-helixtrans-56.4-44168.3-72.5167.4159.7169.3-4.9111.8L2 T3 D4 K9 Q10L2-R7 HydrophobicContact CB-CG 4.05Å; T3-R7 PolarHBondContact O-N 3.41Å; D4-R7 VanDerWaalsContact OD1-CD 3.24Å; D4-R7 WeakPolarHBondContact OD1-CD 3.24Å; D4-R7 IonicContact OD1-CZ 3.87Å; D4-R7 IonicContact OD1-NE 3.61Å; D4-R7 IonicContact OD1-NH1 3.68Å; D4-R7 PolarHBondContact OD1-NH1 2.76Å; R7-K9 VanDerWaalsContact C-N 3.31Å; R7-K9 PolarHBondContact O-N 2.97Å; R7-Q10 WeakPolarHBondContact O-CA 3.18Å; R7-Q10 WeakPolarHBondContact O-CB 3.43Å; R7-Q10 PolarHBondContact O-N 2.86Å
8R57.6Low57.8Low203 Ų203112.7 Ų112.777%0.76655%0.553SS**Hα-helixtrans-65.2-29.3175.2-75.9172.6-173.7-163.53.2113.6D4 R5 D6 Q10D4-R8 WeakPolarHBondContact O-CB 3.47Å; D4-R8 WeakPolarHBondContact O-CG 3.37Å; D4-R8 PolarHBondContact O-N 2.95Å; R5-R8 PolarHBondContact O-N 3.49Å; D6-R8 VanDerWaalsContact C-N 3.32Å; D6-R8 PolarHBondContact O-N 3Å; R8-Q10 VanDerWaalsContact C-N 3.28Å
9K56.1Low59Low150 Ų150110.6 Ų110.665%0.65255%0.547SS*.Hα-helixtrans-72.8-19.8168.8-69.7174.8176177.80113R5 D6 R7 I11R5-K9 PolarHBondContact O-N 3.44Å; R5-K9 VanDerWaalsContact O-N 3.16Å; D6-K9 WeakPolarHBondContact O-CB 3.41Å; D6-K9 PolarHBondContact O-N 2.97Å; D6-K9 VanDerWaalsContact O-N 3.11Å; R7-K9 VanDerWaalsContact C-N 3.31Å; R7-K9 PolarHBondContact O-N 2.97Å; K9-I11 VanDerWaalsContact C-N 3.28Å; K9-I11 PolarHBondContact O-N 3.12Å
10Q47.5Very low60.2Low123 Ų123107 Ų10758%0.57553%0.529SS*.THydrogen-bonded Turntrans-87.614.8-170.6-146.6179.821.800114.1L2 D6 R7 R8 S12L2-Q10 VanDerWaalsContact CD1-OE1 3.28Å; D6-Q10 WeakPolarHBondContact O-CB 3.44Å; D6-Q10 PolarHBondContact O-N 3.21Å; D6-Q10 VanDerWaalsContact O-N 3.08Å; R7-Q10 WeakPolarHBondContact O-CA 3.18Å; R7-Q10 WeakPolarHBondContact O-CB 3.43Å; R7-Q10 PolarHBondContact O-N 2.86Å; R8-Q10 VanDerWaalsContact C-N 3.28Å; Q10-S12 PolarHBondContact O-N 3.4Å
11I50.8Low61.6Low142 Ų142104.7 Ų104.773%0.72852%0.519SS*.  trans-6787.4169.6-55.8176000107.7K9K9-I11 VanDerWaalsContact C-N 3.28Å; K9-I11 PolarHBondContact O-N 3.12Å
12S52.4Low63.9Low61 Ų6195.7 Ų95.743%0.42748%0.476SS..  trans-80.2139.4-169.6-154.20000111.3Q10 R14Q10-S12 PolarHBondContact O-N 3.4Å; S12-R14 PolarHBondContact O-N 3.08Å; S12-R14 WeakPolarHBondContact OG-CG 3.39Å
13I54.7Low66.2Low25 Ų2594.9 Ų94.913%0.12848%0.482CS..SBendtrans-69.1-15.7173.8-58.4157.8000111G15 I16 A17 I66 R67I13-G15 PolarHBondContact O-N 2.9Å; I13-I16 WeakPolarHBondContact O-CB 3.25Å; I13-I16 PolarHBondContact O-N 3.43Å; I13-A17 HydrophobicContact CG2-CB 4.37Å; I13-A17 PolarHBondContact O-N 2.86Å; I13-I66 HydrophobicContact CD1-CB 3.79Å; I13-I66 HydrophobicContact CD1-CD1 4.49Å; I13-I66 HydrophobicContact CD1-CG2 3.73Å; I13-R67 HydrophobicContact CD1-CG 3.47Å; I13-R67 VanDerWaalsContact CD1-CG 3.47Å
14R51.5Low67.4Low170 Ų17093.4 Ų93.464%0.64247%0.471SS*.THydrogen-bonded Turntrans-56.6124.9175.5-64.6176.4-174.1179.94.4110.5S12 I16S12-R14 PolarHBondContact O-N 3.08Å; S12-R14 WeakPolarHBondContact OG-CG 3.39Å; R14-I16 VanDerWaalsContact C-N 3.33Å
15G54.2Low68.5Low88 Ų8888.7 Ų88.791%0.90745%0.446SS*.THydrogen-bonded Turntrans88.5-11.5-177.100000115I13I13-G15 PolarHBondContact O-N 2.9Å
16I67.3Low70.3Confident121 Ų12182.1 Ų82.162%0.62142%0.422SS*.THydrogen-bonded Turntrans-92.8-42.9172.6-54.9177.1000110.2I13 R14 Q18I13-I16 WeakPolarHBondContact O-CB 3.25Å; I13-I16 PolarHBondContact O-N 3.43Å; R14-I16 VanDerWaalsContact C-N 3.33Å; I16-Q18 PolarHBondContact O-N 3.01Å
17A70.3Confident72.3Confident18 Ų1885.6 Ų85.615%0.14944%0.435CS..SBendtrans-66.9116.3178.100000111.7I13 P825I13-A17 HydrophobicContact CG2-CB 4.37Å; I13-A17 PolarHBondContact O-N 2.86Å; A17-P825 HydrophobicContact CB-CB 3.74Å; A17-P825 HydrophobicContact CB-CG 4.31Å; A17-P825 WeakPolarHBondContact CB-O 3.46Å
18Q76.3Confident74.1Confident65 Ų6579.5 Ų79.530%0.30441%0.413SS..PPolyproline II helixtrans-79.4155.6176.7-60.6-173.543.500111.8I16 T28 Y60I16-Q18 PolarHBondContact O-N 3.01Å; Q18-T28 PolarHBondContact NE2-OG1 3.37Å; Q18-T28 PolarHBondContact OE1-OG1 2.9Å; Q18-Y60 HydrophobicContact CB-CE1 4.29Å
19V79.8Confident76Confident74 Ų7469.8 Ų69.845%0.44838%0.376SS..PPolyproline II helixtrans-71139.9168.4178.20000109.8N21 N24 F826V19-N21 VanDerWaalsContact C-N 3.34Å; V19-N21 PolarHBondContact O-N 2.95Å; V19-N24 WeakPolarHBondContact O-CB 3.28Å; V19-N24 PolarHBondContact O-ND2 2.97Å; V19-F826 HydrophobicContact CG2-CB 4.27Å; V19-F826 HydrophobicContact CG2-CD2 4.49Å; V19-F826 HydrophobicContact CG2-CG 4.33Å
20E84Confident78Confident38 Ų3865.4 Ų65.418%0.17836%0.36CS..  trans-79.774.5-176.3-75.9149.3-166.200111.5Y60 R64 I102 F826E20-Y60 HydrophobicContact CB-CE1 4.43Å; E20-Y60 HydrophobicContact CG-CD1 3.39Å; E20-Y60 HydrophobicContact CG-CE1 3.4Å; E20-Y60 HydrophobicContact CG-CG 4.18Å; E20-Y60 WeakPolarHBondContact OE1-CD1 3.48Å; E20-R64 VanDerWaalsContact CD-NH2 3.3Å; E20-R64 IonicContact OE1-CZ 2.65Å; E20-R64 IonicContact OE1-NH1 3.56Å; E20-R64 PolarHBondContact OE1-NH1 2.69Å; E20-R64 IonicContact OE1-NH2 3.51Å; E20-R64 PolarHBondContact OE1-NH2 2.73Å; E20-R64 IonicContact OE2-CZ 3.9Å; E20-R64 IonicContact OE2-NH2 2.74Å; E20-R64 PolarHBondContact OE2-NH2 2.9Å; E20-I102 HydrophobicContact CB-CG2 4.11Å; E20-I102 HydrophobicContact CG-CG2 3.94Å; E20-F826 HydrophobicContact CG-CE1 4.46Å
21N89.7Confident80.4Confident59 Ų5963.2 Ų63.232%0.31635%0.35SS..SBendtrans-130.7159176.870.559.4000112.4V19 A23 N24 M25 T105V19-N21 VanDerWaalsContact C-N 3.34Å; V19-N21 PolarHBondContact O-N 2.95Å; N21-A23 VanDerWaalsContact C-N 3.3Å; N21-A23 PolarHBondContact O-N 3.46Å; N21-A23 PolarHBondContact OD1-N 3.31Å; N21-N24 PolarHBondContact ND2-ND2 3.4Å; N21-N24 PolarHBondContact O-N 2.63Å; N21-N24 PolarHBondContact OD1-N 2.77Å; N21-M25 WeakPolarHBondContact O-CG 3.24Å; N21-M25 PolarHBondContact O-N 3.11Å; N21-T105 VanDerWaalsContact C-CG2 3.48Å
22V93.3Very high82.7Confident35 Ų3557.5 Ų57.521%0.21232%0.32CS..Hα-helixtrans-55.6-40.5-174.9179.10000112.4M25 K26 T105 E108 A109V22-M25 PolarHBondContact O-N 3.1Å; V22-K26 HydrophobicContact CG1-CD 3.82Å; V22-K26 HydrophobicContact CG1-CG 4.3Å; V22-K26 WeakPolarHBondContact O-CB 3.37Å; V22-K26 VanDerWaalsContact O-CG 3.25Å; V22-K26 WeakPolarHBondContact O-CG 3.48Å; V22-K26 PolarHBondContact O-N 3.26Å; V22-T105 HydrophobicContact CB-CG2 4.5Å; V22-T105 HydrophobicContact CG2-CG2 3.76Å; V22-E108 HydrophobicContact CG1-CG 4.11Å; V22-E108 HydrophobicContact CG2-CB 4.09Å; V22-E108 HydrophobicContact CG2-CG 3.85Å; V22-A109 HydrophobicContact CG1-CB 4.14Å
23A95Very high84.8Confident69 Ų6954.8 Ų54.857%0.5730%0.3SS*.Hα-helixtrans-66.7-43.6-179.200000112.2N21 K27N21-A23 VanDerWaalsContact C-N 3.3Å; N21-A23 PolarHBondContact O-N 3.46Å; N21-A23 PolarHBondContact OD1-N 3.31Å; A23-K27 WeakPolarHBondContact O-CB 3.34Å; A23-K27 PolarHBondContact O-N 2.83Å
24N93.5Very high86.9Confident42 Ų4259 Ų5923%0.22532%0.319CS..Hα-helixtrans-65.5-40.3175.3-77.8-11.6000112V19 N21 K27 T28V19-N24 WeakPolarHBondContact O-CB 3.28Å; V19-N24 PolarHBondContact O-ND2 2.97Å; N21-N24 PolarHBondContact ND2-ND2 3.4Å; N21-N24 PolarHBondContact O-N 2.63Å; N21-N24 PolarHBondContact OD1-N 2.77Å; N24-K27 PolarHBondContact O-N 3.48Å; N24-T28 WeakPolarHBondContact O-CB 3.32Å; N24-T28 PolarHBondContact O-N 3.47Å; N24-T28 PolarHBondContact O-OG1 3.38Å
25M93.7Very high89.1Confident3 Ų357.9 Ų57.92%0.01532%0.319CS..Hα-helixtrans-63.6-50.1175.4-72.9-171.716900112.1N21 V22 K27 T28 F29 Y60 I102 T105 C106 A109N21-M25 WeakPolarHBondContact O-CG 3.24Å; N21-M25 PolarHBondContact O-N 3.11Å; V22-M25 PolarHBondContact O-N 3.1Å; M25-K27 VanDerWaalsContact C-N 3.25Å; M25-K27 PolarHBondContact O-N 3.05Å; M25-T28 PolarHBondContact O-N 2.71Å; M25-F29 VanDerWaalsContact O-CB 3.3Å; M25-F29 WeakPolarHBondContact O-CB 3.34Å; M25-F29 PolarHBondContact O-N 3.22Å; M25-Y60 HydrophobicContact CE-CE2 4.16Å; M25-Y60 HydrophobicContact CG-CE2 4.16Å; M25-I102 HydrophobicContact CE-CB 3.78Å; M25-I102 HydrophobicContact CE-CD1 3.9Å; M25-I102 HydrophobicContact CE-CG1 4.16Å; M25-I102 HydrophobicContact CE-CG2 4.44Å; M25-T105 HydrophobicContact CE-CG2 3.94Å; M25-T105 HydrophobicContact CG-CG2 4.46Å; M25-T105 HydrophobicContact SD-CG2 3.54Å; M25-T105 VanDerWaalsContact SD-CG2 3.54Å; M25-C106 VanDerWaalsContact CE-SG 3.56Å; M25-C106 HydrophobicContact SD-CB 4.37Å; M25-C106 PolarHBondContact SD-N 2.75Å; M25-C106 VanDerWaalsContact SD-SG 3.7Å; M25-A109 HydrophobicContact CB-CB 3.9Å
26K96.8Very high91.2Very high51 Ų5156.8 Ų56.822%0.22230%0.295CS..Hα-helixtrans-58.8-37.9176.6-69.8174.474.9-175.80111.7V22 N30 A109 Q112 L113V22-K26 HydrophobicContact CG1-CD 3.82Å; V22-K26 HydrophobicContact CG1-CG 4.3Å; V22-K26 WeakPolarHBondContact O-CB 3.37Å; V22-K26 VanDerWaalsContact O-CG 3.25Å; V22-K26 WeakPolarHBondContact O-CG 3.48Å; V22-K26 PolarHBondContact O-N 3.26Å; K26-N30 PolarHBondContact O-N 2.79Å; K26-N30 PolarHBondContact O-ND2 3.24Å; K26-A109 HydrophobicContact CG-CB 3.79Å; K26-Q112 HydrophobicContact CD-CB 4.02Å; K26-Q112 VanDerWaalsContact NZ-CB 3.3Å; K26-Q112 PolarHBondContact NZ-O 3.5Å; K26-L113 HydrophobicContact CB-CD1 4.32Å; K26-L113 HydrophobicContact CG-CD1 4.07Å; K26-L113 HydrophobicContact CG-CG 4.1Å
27K96.7Very high92.6Very high126 Ų12653.2 Ų53.255%0.54828%0.276SS..Hα-helixtrans-64.6-52.8174.8-176.1-175.4175.4-174.80111.4A23 N24 M25 F29 N30 Q31A23-K27 WeakPolarHBondContact O-CB 3.34Å; A23-K27 PolarHBondContact O-N 2.83Å; N24-K27 PolarHBondContact O-N 3.48Å; M25-K27 VanDerWaalsContact C-N 3.25Å; M25-K27 PolarHBondContact O-N 3.05Å; K27-F29 PolarHBondContact O-N 3.34Å; K27-N30 PolarHBondContact O-N 2.9Å; K27-Q31 WeakPolarHBondContact O-CG 3.31Å; K27-Q31 PolarHBondContact O-N 2.87Å
28T95.7Very high93.9Very high6 Ų659.2 Ų59.24%0.03731%0.305CS..Hα-helixtrans-64.7-38.5-176.5-55.50000111.7Q18 N24 M25 Q31 H32 T56Q18-T28 PolarHBondContact NE2-OG1 3.37Å; Q18-T28 PolarHBondContact OE1-OG1 2.9Å; N24-T28 WeakPolarHBondContact O-CB 3.32Å; N24-T28 PolarHBondContact O-N 3.47Å; N24-T28 PolarHBondContact O-OG1 3.38Å; M25-T28 PolarHBondContact O-N 2.71Å; T28-Q31 WeakPolarHBondContact O-CB 3.45Å; T28-Q31 PolarHBondContact O-N 3.44Å; T28-H32 PolarHBondContact O-CD2 3.49Å; T28-H32 PolarHBondContact O-N 2.89Å; T28-T56 HydrophobicContact CG2-CG2 4Å
29F97.6Very high94.9Very high0 Ų058.6 Ų58.60%030%0.301CS..Hα-helixtrans-57.7-50.3171.9178.5-86.8000112.5M25 K27 Q31 H32 L33 Y49 L53 T56 M110 L113 L115M25-F29 VanDerWaalsContact O-CB 3.3Å; M25-F29 WeakPolarHBondContact O-CB 3.34Å; M25-F29 PolarHBondContact O-N 3.22Å; K27-F29 PolarHBondContact O-N 3.34Å; F29-Q31 VanDerWaalsContact C-N 3.27Å; F29-Q31 PolarHBondContact O-N 3.32Å; F29-H32 PolarHBondContact O-N 3.22Å; F29-L33 PolarHBondContact O-N 2.94Å; F29-Y49 HydrophobicContact CE1-CD1 4.1Å; F29-Y49 WeakPolarHBondContact CE2-O 3.38Å; F29-Y49 AromaticContact CZ-CD1 3.73Å; F29-Y49 HydrophobicContact CZ-CD1 3.73Å; F29-Y49 HydrophobicContact CZ-CG 4.3Å; F29-L53 HydrophobicContact CD2-CB 4.17Å; F29-L53 HydrophobicContact CE2-CB 3.99Å; F29-T56 WeakPolarHBondContact CA-OG1 3.45Å; F29-T56 PolarHBondContact N-OG1 3.48Å; F29-M110 HydrophobicContact CB-CE 4.38Å; F29-M110 HydrophobicContact CD2-CE 3.62Å; F29-M110 HydrophobicContact CD2-SD 3.92Å; F29-M110 HydrophobicContact CE2-CE 3.97Å; F29-M110 HydrophobicContact CE2-SD 3.62Å; F29-M110 HydrophobicContact CG-CE 3.98Å; F29-M110 HydrophobicContact CZ-SD 4.16Å; F29-L113 HydrophobicContact CB-CD1 4.4Å; F29-L113 HydrophobicContact CD1-CD1 3.54Å; F29-L113 HydrophobicContact CE1-CD1 3.98Å; F29-L113 HydrophobicContact CG-CD1 4.06Å; F29-L115 HydrophobicContact CE1-CD1 3.95Å; F29-L115 HydrophobicContact CE2-CD1 4.36Å; F29-L115 HydrophobicContact CZ-CD1 3.48Å; F29-L115 VanDerWaalsContact CZ-CD1 3.48Å
30N97.8Very high95.7Very high58 Ų5858.4 Ų58.431%0.3130%0.298SS..Hα-helixtrans-68-28.8178-73.7-68.6000112K26 K27 H34K26-N30 PolarHBondContact O-N 2.79Å; K26-N30 PolarHBondContact O-ND2 3.24Å; K27-N30 PolarHBondContact O-N 2.9Å; N30-H34 WeakPolarHBondContact O-CB 3.35Å; N30-H34 PolarHBondContact O-N 3.4Å
31Q97.5Very high96.2Very high77 Ų7761.2 Ų61.236%0.3631%0.306SS..Hα-helixtrans-66.4-42.8170.8-71.6179.4-75.200111.9K27 T28 F29 H34 F35K27-Q31 WeakPolarHBondContact O-CG 3.31Å; K27-Q31 PolarHBondContact O-N 2.87Å; T28-Q31 WeakPolarHBondContact O-CB 3.45Å; T28-Q31 PolarHBondContact O-N 3.44Å; F29-Q31 VanDerWaalsContact C-N 3.27Å; F29-Q31 PolarHBondContact O-N 3.32Å; Q31-H34 PolarHBondContact O-N 3.15Å; Q31-F35 HydrophobicContact CB-CD2 4.23Å; Q31-F35 HydrophobicContact CG-CE2 4.47Å; Q31-F35 WeakPolarHBondContact O-CB 3.11Å; Q31-F35 WeakPolarHBondContact O-CD2 3.38Å; Q31-F35 PolarHBondContact O-N 3.45Å
32H98.2Very high96.4Very high21 Ų2165 Ų6510%0.09733%0.327CS..Hα-helixtrans-68.1-40.5174.3-71.5-59.5000112.5T28 F29 H34 T36 M37 H55 T56 D59T28-H32 PolarHBondContact O-CD2 3.49Å; T28-H32 PolarHBondContact O-N 2.89Å; F29-H32 PolarHBondContact O-N 3.22Å; H32-H34 VanDerWaalsContact C-N 3.28Å; H32-H34 PolarHBondContact O-N 3.25Å; H32-T36 PolarHBondContact ND1-OG1 3.32Å; H32-T36 CarbonylContact O-C 3.49Å; H32-T36 VanDerWaalsContact O-CA 3.27Å; H32-T36 WeakPolarHBondContact O-CA 3.37Å; H32-T36 WeakPolarHBondContact O-CB 3.42Å; H32-T36 PolarHBondContact O-N 3.25Å; H32-M37 PolarHBondContact O-N 2.84Å; H32-H55 HydrophobicContact CB-CB 4.21Å; H32-T56 PolarHBondContact CD2-N 2.95Å; H32-T56 PolarHBondContact CD2-OG1 2.86Å; H32-D59 IonicContact CE1-OD2 2.61Å; H32-D59 IonicContact NE2-OD2 2.76Å
33L98.3Very high96.6Very high4 Ų467.8 Ų67.82%0.02134%0.343CS..Hα-helixtrans-57.9-43.4176-171.668.6000111.5F29 M37 I38 K39 R41 A44 D48 Y49 S52F29-L33 PolarHBondContact O-N 2.94Å; L33-M37 WeakPolarHBondContact O-CB 3.35Å; L33-I38 PolarHBondContact O-N 3.46Å; L33-K39 HydrophobicContact CD1-CB 3.93Å; L33-K39 HydrophobicContact CG-CB 4.16Å; L33-K39 PolarHBondContact O-N 2.79Å; L33-R41 HydrophobicContact CD2-CG 4.43Å; L33-A44 HydrophobicContact CD1-CB 3.89Å; L33-A44 HydrophobicContact CD2-CB 4.42Å; L33-D48 HydrophobicContact CD1-CB 4.19Å; L33-Y49 HydrophobicContact CD1-CD1 4.01Å; L33-Y49 HydrophobicContact CD1-CE1 4.19Å; L33-Y49 HydrophobicContact CD2-CD1 4.26Å; L33-Y49 HydrophobicContact CD2-CE1 3.84Å; L33-S52 WeakPolarHBondContact CA-OG 3.32Å; L33-S52 WeakPolarHBondContact CD1-OG 3.36Å; L33-S52 PolarHBondContact N-OG 3.19Å
34H97.9Very high96.7Very high113 Ų11365.2 Ų65.252%0.52332%0.323SS..Hα-helixtrans-79.3-48.8-178.6-169.161000113.8N30 Q31 H32 I38N30-H34 WeakPolarHBondContact O-CB 3.35Å; N30-H34 PolarHBondContact O-N 3.4Å; Q31-H34 PolarHBondContact O-N 3.15Å; H32-H34 VanDerWaalsContact C-N 3.28Å; H32-H34 PolarHBondContact O-N 3.25Å; H34-I38 WeakPolarHBondContact O-CA 3.34Å
35F97.8Very high96.9Very high147 Ų14766.4 Ų66.465%0.64533%0.331SS*.Hα-helixtrans-97-23.2-171.7-61.4-67.3000114.7Q31Q31-F35 HydrophobicContact CB-CD2 4.23Å; Q31-F35 HydrophobicContact CG-CE2 4.47Å; Q31-F35 WeakPolarHBondContact O-CB 3.11Å; Q31-F35 WeakPolarHBondContact O-CD2 3.38Å; Q31-F35 PolarHBondContact O-N 3.45Å
36T97.5Very high97.1Very high66 Ų6668.9 Ų68.941%0.40535%0.348SS..THydrogen-bonded Turntrans-100.6-44-180-48.30000111.6H32H32-T36 PolarHBondContact ND1-OG1 3.32Å; H32-T36 CarbonylContact O-C 3.49Å; H32-T36 VanDerWaalsContact O-CA 3.27Å; H32-T36 WeakPolarHBondContact O-CA 3.37Å; H32-T36 WeakPolarHBondContact O-CB 3.42Å; H32-T36 PolarHBondContact O-N 3.25Å
37M97.4Very high97.1Very high45 Ų4569.6 Ų69.622%0.22235%0.349CS..SBendtrans-89.5-15.2178-57.9-47.9-64.500113.8H32 L33 K39 F51 S52H32-M37 PolarHBondContact O-N 2.84Å; L33-M37 WeakPolarHBondContact O-CB 3.35Å; M37-K39 VanDerWaalsContact C-N 3.32Å; M37-K39 HydrophobicContact CB-CG 4.07Å; M37-K39 PolarHBondContact O-N 2.98Å; M37-F51 HydrophobicContact CE-CB 3.71Å; M37-F51 HydrophobicContact CE-CD2 4.09Å; M37-F51 HydrophobicContact CE-CG 4.08Å; M37-F51 HydrophobicContact CG-CB 4.41Å; M37-F51 HydrophobicContact SD-CB 3.51Å; M37-F51 VanDerWaalsContact SD-CB 3.51Å; M37-F51 HydrophobicContact SD-CG 4.29Å; M37-S52 WeakPolarHBondContact CG-OG 3.45Å
38I98.1Very high97.2Very high144 Ų14464.4 Ų64.474%0.73833%0.327SS*.  trans56.446.4-176.7-40.5-177.9000111L33 H34L33-I38 PolarHBondContact O-N 3.46Å; H34-I38 WeakPolarHBondContact O-CA 3.34Å
39K97.3Very high97.3Very high52 Ų5265.1 Ų65.123%0.22633%0.329CS..  trans-122156.3179.4-63.8-55.1-174.483.10112.4L33 M37 V43 A44 D48L33-K39 HydrophobicContact CD1-CB 3.93Å; L33-K39 HydrophobicContact CG-CB 4.16Å; L33-K39 PolarHBondContact O-N 2.79Å; M37-K39 VanDerWaalsContact C-N 3.32Å; M37-K39 HydrophobicContact CB-CG 4.07Å; M37-K39 PolarHBondContact O-N 2.98Å; K39-V43 HydrophobicContact CD-CG2 4.09Å; K39-V43 PolarHBondContact NZ-O 3.42Å; K39-A44 HydrophobicContact CB-CB 4.17Å; K39-D48 VanDerWaalsContact CE-OD1 3.24Å; K39-D48 WeakPolarHBondContact CE-OD1 3.38Å; K39-D48 HydrophobicContact CG-CB 4.13Å; K39-D48 IonicContact NZ-OD1 2.9Å; K39-D48 PolarHBondContact NZ-OD1 3.41Å; K39-D48 IonicContact NZ-OD2 2.73Å; K39-D48 PolarHBondContact NZ-OD2 3.22Å
40D95.7Very high97.3Very high71 Ų7165.5 Ų65.538%0.3833%0.331SS..  trans-105.3178.1156.974.913000110N42 V43 A44D40-N42 PolarHBondContact O-N 3.3Å; D40-N42 WeakPolarHBondContact OD1-CA 3.45Å; D40-N42 VanDerWaalsContact OD1-CB 3.24Å; D40-N42 WeakPolarHBondContact OD1-CB 3.3Å; D40-N42 PolarHBondContact OD1-N 3.4Å; D40-N42 PolarHBondContact OD1-ND2 3.02Å; D40-N42 PolarHBondContact OD2-ND2 2.91Å; D40-V43 WeakPolarHBondContact OD1-CG2 3.21Å; D40-V43 PolarHBondContact OD1-N 2.75Å; D40-A44 WeakPolarHBondContact O-CB 3.42Å; D40-A44 PolarHBondContact O-N 2.98Å
41R94.2Very high97.4Very high96 Ų9663.6 Ų63.636%0.36232%0.32SS..THydrogen-bonded Turntrans-71-11.1178.6-69.3-61.6-56.2-109.70.6114.3L33 Y49 L113L33-R41 HydrophobicContact CD2-CG 4.43Å; R41-Y49 PolarHBondContact NE-OH 3.19Å; R41-Y49 PolarHBondContact O-OH 3.22Å; R41-L113 PolarHBondContact NH1-O 3.34Å; R41-L113 PolarHBondContact NH2-O 2.9Å
42N95.3Very high97.4Very high139 Ų13959.9 Ų59.974%0.74330%0.303SS*.THydrogen-bonded Turntrans-87.8-33.5-178.1-46.9-62.3000111.9D40D40-N42 PolarHBondContact O-N 3.3Å; D40-N42 WeakPolarHBondContact OD1-CA 3.45Å; D40-N42 VanDerWaalsContact OD1-CB 3.24Å; D40-N42 WeakPolarHBondContact OD1-CB 3.3Å; D40-N42 PolarHBondContact OD1-N 3.4Å; D40-N42 PolarHBondContact OD1-ND2 3.02Å; D40-N42 PolarHBondContact OD2-ND2 2.91Å
43V97.2Very high97.4Very high93 Ų9359 Ų5956%0.56430%0.298SS*.THydrogen-bonded Turntrans-114.510.7-178.7-59.30000114.3K39 D40K39-V43 HydrophobicContact CD-CG2 4.09Å; K39-V43 PolarHBondContact NZ-O 3.42Å; D40-V43 WeakPolarHBondContact OD1-CG2 3.21Å; D40-V43 PolarHBondContact OD1-N 2.75Å
44A97.3Very high97.4Very high16 Ų1658.8 Ų58.813%0.13230%0.297CS..  trans-82125.317200000111.7L33 K39 D40 D48 Y49L33-A44 HydrophobicContact CD1-CB 3.89Å; L33-A44 HydrophobicContact CD2-CB 4.42Å; K39-A44 HydrophobicContact CB-CB 4.17Å; D40-A44 WeakPolarHBondContact O-CB 3.42Å; D40-A44 PolarHBondContact O-N 2.98Å; A44-D48 HydrophobicContact CB-CB 4.25Å; A44-Y49 HydrophobicContact CB-CD1 4.17Å; A44-Y49 HydrophobicContact CB-CE1 3.52Å; A44-Y49 HydrophobicContact CB-CE2 4.13Å; A44-Y49 VanDerWaalsContact CB-CZ 3.49Å
45T97.5Very high97.4Very high67 Ų6755 Ų5541%0.41128%0.28SS..  trans-89165.3172.869.60000110.8R47 D48 Y49T45-R47 PolarHBondContact O-N 2.89Å; T45-R47 VanDerWaalsContact O-N 3.11Å; T45-R47 PolarHBondContact OG1-N 3.22Å; T45-D48 WeakPolarHBondContact CB-OD2 3.47Å; T45-D48 PolarHBondContact N-OD2 3Å; T45-D48 WeakPolarHBondContact O-CB 3.22Å; T45-D48 PolarHBondContact O-N 3.42Å; T45-D48 PolarHBondContact OG1-N 3.13Å; T45-D48 PolarHBondContact OG1-OD2 3.3Å; T45-Y49 WeakPolarHBondContact O-CD2 3.37Å; T45-Y49 PolarHBondContact O-N 2.84Å; T45-Y49 VanDerWaalsContact O-N 3.1Å
46P97.2Very high97.3Very high55 Ų5548.2 Ų48.236%0.35725%0.25SS..Hα-helixtrans-51.2-33.5171.1-29.637.5000113.9Y49 Y50 L120 I123P46-Y49 PolarHBondContact O-N 2.86Å; P46-Y50 PolarHBondContact O-N 3.05Å; P46-L120 WeakPolarHBondContact O-CD2 3.44Å; P46-I123 VanDerWaalsContact C-CD1 3.46Å; P46-I123 HydrophobicContact CB-CD1 3.38Å; P46-I123 WeakPolarHBondContact O-CD1 3.41Å
47R97.6Very high97.3Very high66 Ų6645 Ų4525%0.24923%0.231CC..Hα-helixtrans-70.5-35.7176.3-168.9172.8-72.6-9212112.7T45 Y49 Y50 F51 I123 E125T45-R47 PolarHBondContact O-N 2.89Å; T45-R47 VanDerWaalsContact O-N 3.11Å; T45-R47 PolarHBondContact OG1-N 3.22Å; R47-Y49 VanDerWaalsContact C-N 3.34Å; R47-Y50 PolarHBondContact O-N 3.23Å; R47-F51 HydrophobicContact CG-CD2 3.93Å; R47-F51 HydrophobicContact CG-CE2 3.8Å; R47-F51 VanDerWaalsContact O-CD2 3.27Å; R47-F51 WeakPolarHBondContact O-CD2 3.42Å; R47-F51 PolarHBondContact O-N 3.11Å; R47-I123 HydrophobicContact CB-CG2 3.97Å; R47-I123 HydrophobicContact CG-CG2 3.86Å; R47-I123 PolarHBondContact NH1-O 3.28Å; R47-E125 IonicContact CZ-OE1 3.32Å; R47-E125 IonicContact NH1-OE1 3.37Å; R47-E125 PolarHBondContact NH1-OE1 3.23Å; R47-E125 IonicContact NH2-OE1 3.5Å; R47-E125 PolarHBondContact NH2-OE1 2.94Å
48D98Very high97.2Very high17 Ų1745.1 Ų45.19%0.09123%0.229CC..Hα-helixtrans-65.7-38.5173-57.1-79.4000111.6L33 K39 A44 T45 S52L33-D48 HydrophobicContact CD1-CB 4.19Å; K39-D48 VanDerWaalsContact CE-OD1 3.24Å; K39-D48 WeakPolarHBondContact CE-OD1 3.38Å; K39-D48 HydrophobicContact CG-CB 4.13Å; K39-D48 IonicContact NZ-OD1 2.9Å; K39-D48 PolarHBondContact NZ-OD1 3.41Å; K39-D48 IonicContact NZ-OD2 2.73Å; K39-D48 PolarHBondContact NZ-OD2 3.22Å; A44-D48 HydrophobicContact CB-CB 4.25Å; T45-D48 WeakPolarHBondContact CB-OD2 3.47Å; T45-D48 PolarHBondContact N-OD2 3Å; T45-D48 WeakPolarHBondContact O-CB 3.22Å; T45-D48 PolarHBondContact O-N 3.42Å; T45-D48 PolarHBondContact OG1-N 3.13Å; T45-D48 PolarHBondContact OG1-OD2 3.3Å; D48-S52 WeakPolarHBondContact O-CB 3.3Å; D48-S52 PolarHBondContact O-N 3.32Å; D48-S52 PolarHBondContact O-OG 2.84Å
49Y98.3Very high97Very high21 Ų2141.7 Ų41.78%0.08221%0.212CC..Hα-helixtrans-66.4-42.7174.3-63.8-46.6000111.9F29 L33 R41 A44 T45 P46 R47 S52 L53 L115F29-Y49 HydrophobicContact CE1-CD1 4.1Å; F29-Y49 WeakPolarHBondContact CE2-O 3.38Å; F29-Y49 AromaticContact CZ-CD1 3.73Å; F29-Y49 HydrophobicContact CZ-CD1 3.73Å; F29-Y49 HydrophobicContact CZ-CG 4.3Å; L33-Y49 HydrophobicContact CD1-CD1 4.01Å; L33-Y49 HydrophobicContact CD1-CE1 4.19Å; L33-Y49 HydrophobicContact CD2-CD1 4.26Å; L33-Y49 HydrophobicContact CD2-CE1 3.84Å; R41-Y49 PolarHBondContact NE-OH 3.19Å; R41-Y49 PolarHBondContact O-OH 3.22Å; A44-Y49 HydrophobicContact CB-CD1 4.17Å; A44-Y49 HydrophobicContact CB-CE1 3.52Å; A44-Y49 HydrophobicContact CB-CE2 4.13Å; A44-Y49 VanDerWaalsContact CB-CZ 3.49Å; T45-Y49 WeakPolarHBondContact O-CD2 3.37Å; T45-Y49 PolarHBondContact O-N 2.84Å; T45-Y49 VanDerWaalsContact O-N 3.1Å; P46-Y49 PolarHBondContact O-N 2.86Å; R47-Y49 VanDerWaalsContact C-N 3.34Å; Y49-S52 PolarHBondContact O-N 3.08Å; Y49-L53 PolarHBondContact O-N 2.95Å; Y49-L115 HydrophobicContact CD1-CD1 3.94Å; Y49-L115 HydrophobicContact CD1-CD2 4.39Å; Y49-L115 HydrophobicContact CD2-CD1 4.39Å; Y49-L115 HydrophobicContact CD2-CD2 3.51Å; Y49-L115 HydrophobicContact CE1-CD1 4.43Å; Y49-L115 HydrophobicContact CE1-CD2 4.5Å; Y49-L115 HydrophobicContact CE2-CD2 3.7Å; Y49-L115 HydrophobicContact CG-CD1 3.91Å; Y49-L115 HydrophobicContact CG-CD2 3.9Å
50Y98.3Very high96.8Very high8 Ų839.7 Ų39.73%0.03120%0.203CC..Hα-helixtrans-56.1-51.6173157.4-100.4000111.7P46 R47 S52 L53 A54 L93 L120 I123 E124P46-Y50 PolarHBondContact O-N 3.05Å; R47-Y50 PolarHBondContact O-N 3.23Å; Y50-S52 VanDerWaalsContact C-N 3.31Å; Y50-S52 PolarHBondContact O-N 2.79Å; Y50-L53 PolarHBondContact O-N 3.2Å; Y50-A54 HydrophobicContact CE2-CB 4.2Å; Y50-A54 WeakPolarHBondContact O-CB 3.35Å; Y50-A54 PolarHBondContact O-N 3.25Å; Y50-L93 HydrophobicContact CD2-CD2 4.09Å; Y50-L93 HydrophobicContact CE2-CD2 4.06Å; Y50-L120 VanDerWaalsContact CD2-O 3.31Å; Y50-L120 WeakPolarHBondContact CD2-O 3.19Å; Y50-I123 HydrophobicContact CD1-CG2 4.21Å; Y50-I123 HydrophobicContact CG-CB 4.29Å; Y50-I123 HydrophobicContact CG-CG2 4.2Å; Y50-E124 HydrophobicContact CD2-CB 4.43Å; Y50-E124 HydrophobicContact CE2-CB 3.66Å; Y50-E124 HydrophobicContact CE2-CG 4.07Å; Y50-E124 WeakPolarHBondContact OH-CG 3.46Å
51F98.3Very high96.6Very high17 Ų1736.4 Ų36.48%0.07519%0.185CC..Hα-helixtrans-63.3-37.8179.4-84.5-73.9000112.1M37 R47 L53 A54 H55 F183 G184 P186M37-F51 HydrophobicContact CE-CB 3.71Å; M37-F51 HydrophobicContact CE-CD2 4.09Å; M37-F51 HydrophobicContact CE-CG 4.08Å; M37-F51 HydrophobicContact CG-CB 4.41Å; M37-F51 HydrophobicContact SD-CB 3.51Å; M37-F51 VanDerWaalsContact SD-CB 3.51Å; M37-F51 HydrophobicContact SD-CG 4.29Å; R47-F51 HydrophobicContact CG-CD2 3.93Å; R47-F51 HydrophobicContact CG-CE2 3.8Å; R47-F51 VanDerWaalsContact O-CD2 3.27Å; R47-F51 WeakPolarHBondContact O-CD2 3.42Å; R47-F51 PolarHBondContact O-N 3.11Å; F51-L53 VanDerWaalsContact C-N 3.33Å; F51-L53 PolarHBondContact O-N 3.15Å; F51-A54 PolarHBondContact O-N 3.02Å; F51-H55 WeakPolarHBondContact O-CB 3.3Å; F51-H55 PolarHBondContact O-CD2 2.75Å; F51-H55 PolarHBondContact O-N 2.68Å; F51-F183 HydrophobicContact CE2-CB 4.02Å; F51-F183 HydrophobicContact CZ-CB 3.95Å; F51-F183 WeakPolarHBondContact CZ-O 3.5Å; F51-G184 WeakPolarHBondContact CZ-O 3.41Å; F51-P186 HydrophobicContact CD1-CB 4.09Å; F51-P186 HydrophobicContact CD1-CG 4.18Å; F51-P186 HydrophobicContact CE1-CB 4.26Å; F51-P186 HydrophobicContact CE1-CG 4.12Å
52S98.3Very high96.5Very high0 Ų034 Ų340%018%0.181CC..Hα-helixtrans-62.3-39.4175.5-57.30000112.1L33 M37 D48 Y49 Y50 T56L33-S52 WeakPolarHBondContact CA-OG 3.32Å; L33-S52 WeakPolarHBondContact CD1-OG 3.36Å; L33-S52 PolarHBondContact N-OG 3.19Å; M37-S52 WeakPolarHBondContact CG-OG 3.45Å; D48-S52 WeakPolarHBondContact O-CB 3.3Å; D48-S52 PolarHBondContact O-N 3.32Å; D48-S52 PolarHBondContact O-OG 2.84Å; Y49-S52 PolarHBondContact O-N 3.08Å; Y50-S52 VanDerWaalsContact C-N 3.31Å; Y50-S52 PolarHBondContact O-N 2.79Å; S52-T56 WeakPolarHBondContact O-CB 3.47Å; S52-T56 PolarHBondContact O-N 3.26Å; S52-T56 VanDerWaalsContact O-N 3.08Å; S52-T56 PolarHBondContact O-OG1 3.01Å
53L98.1Very high96.3Very high1 Ų127.8 Ų27.81%0.00515%0.149CC..Hα-helixtrans-69.3-45.6173.7178.758.5000111.9F29 Y49 Y50 F51 H55 T56 V57 L93 M110 I117 L120F29-L53 HydrophobicContact CD2-CB 4.17Å; F29-L53 HydrophobicContact CE2-CB 3.99Å; Y49-L53 PolarHBondContact O-N 2.95Å; Y50-L53 PolarHBondContact O-N 3.2Å; F51-L53 VanDerWaalsContact C-N 3.33Å; F51-L53 PolarHBondContact O-N 3.15Å; L53-H55 PolarHBondContact O-N 2.86Å; L53-T56 WeakPolarHBondContact O-CB 3.47Å; L53-T56 PolarHBondContact O-N 3.43Å; L53-T56 VanDerWaalsContact O-N 3.15Å; L53-V57 HydrophobicContact CD1-CG2 4.01Å; L53-V57 HydrophobicContact CG-CG2 4.48Å; L53-V57 WeakPolarHBondContact O-CG2 3.48Å; L53-V57 PolarHBondContact O-N 3.41Å; L53-L93 HydrophobicContact CD2-CD2 3.98Å; L53-L93 HydrophobicContact CG-CD1 4.19Å; L53-L93 HydrophobicContact CG-CD2 4.36Å; L53-M110 HydrophobicContact CB-SD 4.48Å; L53-M110 HydrophobicContact CD1-CE 4.08Å; L53-M110 HydrophobicContact CD1-CG 4.44Å; L53-M110 HydrophobicContact CD1-SD 4.1Å; L53-M110 HydrophobicContact CD2-CG 4.16Å; L53-M110 HydrophobicContact CD2-SD 4.17Å; L53-M110 HydrophobicContact CG-SD 4.48Å; L53-I117 HydrophobicContact CD2-CD1 4.16Å; L53-I117 HydrophobicContact CD2-CG1 3.91Å; L53-L120 HydrophobicContact CD2-CB 4.43Å; L53-L120 HydrophobicContact CD2-CD1 4.04Å
54A98.1Very high96.1Very high0 Ų023.6 Ų23.60%012%0.123CC..Hα-helixtrans-60.2-43178.500000112Y50 F51 R58 P186 W187Y50-A54 HydrophobicContact CE2-CB 4.2Å; Y50-A54 WeakPolarHBondContact O-CB 3.35Å; Y50-A54 PolarHBondContact O-N 3.25Å; F51-A54 PolarHBondContact O-N 3.02Å; A54-R58 WeakPolarHBondContact O-CB 3.44Å; A54-R58 PolarHBondContact O-N 3.09Å; A54-P186 HydrophobicContact CB-CB 4.02Å; A54-P186 HydrophobicContact CB-CG 3.7Å; A54-W187 HydrophobicContact CB-CH2 4.05Å; A54-W187 HydrophobicContact CB-CZ2 3.75Å
55H97.9Very high96.1Very high35 Ų3523.9 Ų23.916%0.16212%0.12CC..Hα-helixtrans-63.7-43.8172.6-76.2-60.8000112.4H32 F51 L53 V57 R58 D59H32-H55 HydrophobicContact CB-CB 4.21Å; F51-H55 WeakPolarHBondContact O-CB 3.3Å; F51-H55 PolarHBondContact O-CD2 2.75Å; F51-H55 PolarHBondContact O-N 2.68Å; L53-H55 PolarHBondContact O-N 2.86Å; H55-V57 PolarHBondContact O-N 3.06Å; H55-R58 PolarHBondContact O-N 2.76Å; H55-D59 PolarHBondContact O-N 2.91Å; H55-D59 VanDerWaalsContact O-N 3.1Å
56T96.6Very high95.9Very high3 Ų324.7 Ų24.72%0.01812%0.122CC..Hα-helixtrans-56.8-48.3176.1-58.50000111.9T28 F29 H32 S52 L53 D59 Y60T28-T56 HydrophobicContact CG2-CG2 4Å; F29-T56 WeakPolarHBondContact CA-OG1 3.45Å; F29-T56 PolarHBondContact N-OG1 3.48Å; H32-T56 PolarHBondContact CD2-N 2.95Å; H32-T56 PolarHBondContact CD2-OG1 2.86Å; S52-T56 WeakPolarHBondContact O-CB 3.47Å; S52-T56 PolarHBondContact O-N 3.26Å; S52-T56 VanDerWaalsContact O-N 3.08Å; S52-T56 PolarHBondContact O-OG1 3.01Å; L53-T56 WeakPolarHBondContact O-CB 3.47Å; L53-T56 PolarHBondContact O-N 3.43Å; L53-T56 VanDerWaalsContact O-N 3.15Å; T56-D59 PolarHBondContact O-N 3.21Å; T56-Y60 HydrophobicContact CG2-CE2 4.29Å; T56-Y60 WeakPolarHBondContact O-CD2 3.34Å
57V96Very high95.6Very high0 Ų024.6 Ų24.60%011%0.114CC..Hα-helixtrans-66.2-38179.5168.40000111.3L53 H55 D59 Y60 L93 T96 M97 I102 W187L53-V57 HydrophobicContact CD1-CG2 4.01Å; L53-V57 HydrophobicContact CG-CG2 4.48Å; L53-V57 WeakPolarHBondContact O-CG2 3.48Å; L53-V57 PolarHBondContact O-N 3.41Å; H55-V57 PolarHBondContact O-N 3.06Å; V57-D59 PolarHBondContact O-N 3.44Å; V57-Y60 PolarHBondContact O-N 2.92Å; V57-L93 HydrophobicContact CB-CD1 4.23Å; V57-L93 HydrophobicContact CG1-CD1 4.34Å; V57-L93 HydrophobicContact CG2-CD1 3.97Å; V57-T96 HydrophobicContact CG1-CG2 3.38Å; V57-M97 HydrophobicContact CG1-CG 3.96Å; V57-M97 HydrophobicContact CG2-CG 3.78Å; V57-M97 HydrophobicContact CG2-SD 4Å; V57-I102 HydrophobicContact CG1-CD1 4.49Å; V57-W187 HydrophobicContact CB-CH2 4.28Å; V57-W187 HydrophobicContact CG1-CH2 4.02Å; V57-W187 HydrophobicContact CG1-CZ3 4.18Å
58R96.1Very high95.5Very high47 Ų4721.5 Ų21.518%0.17710%0.102CC..Hα-helixtrans-66.2-32.9178.8177.9177.4172.7-85.420.7113.8A54 H55 Y60 L61 V62 P186 W187A54-R58 WeakPolarHBondContact O-CB 3.44Å; A54-R58 PolarHBondContact O-N 3.09Å; H55-R58 PolarHBondContact O-N 2.76Å; R58-Y60 PolarHBondContact O-N 2.61Å; R58-L61 WeakPolarHBondContact O-CA 3.28Å; R58-L61 VanDerWaalsContact O-CB 3.28Å; R58-L61 WeakPolarHBondContact O-CB 3.34Å; R58-L61 PolarHBondContact O-N 3.4Å; R58-V62 HydrophobicContact CG-CG2 4.47Å; R58-V62 WeakPolarHBondContact O-CG2 3.47Å; R58-V62 PolarHBondContact O-N 3.03Å; R58-P186 WeakPolarHBondContact CD-O 3.4Å; R58-P186 PolarHBondContact NE-O 3.44Å; R58-W187 HydrophobicContact CB-CE3 4.25Å; R58-W187 HydrophobicContact CB-CZ3 4Å
59D94.1Very high95.3Very high71 Ų7123 Ų2338%0.3811%0.109SC..Hα-helixtrans-66.4-29178.8-85.516.3000112.3H32 H55 T56 V57 L61 V62H32-D59 IonicContact CE1-OD2 2.61Å; H32-D59 IonicContact NE2-OD2 2.76Å; H55-D59 PolarHBondContact O-N 2.91Å; H55-D59 VanDerWaalsContact O-N 3.1Å; T56-D59 PolarHBondContact O-N 3.21Å; V57-D59 PolarHBondContact O-N 3.44Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-V62 PolarHBondContact O-N 3.47Å
60Y91.9Very high94.9Very high11 Ų1126.4 Ų26.44%0.04313%0.126CC..Hα-helixtrans-70.1-24.3168.6-63.2-74.9000113.5Q18 E20 M25 T56 V57 R58 R64 I102Q18-Y60 HydrophobicContact CB-CE1 4.29Å; E20-Y60 HydrophobicContact CB-CE1 4.43Å; E20-Y60 HydrophobicContact CG-CD1 3.39Å; E20-Y60 HydrophobicContact CG-CE1 3.4Å; E20-Y60 HydrophobicContact CG-CG 4.18Å; E20-Y60 WeakPolarHBondContact OE1-CD1 3.48Å; M25-Y60 HydrophobicContact CE-CE2 4.16Å; M25-Y60 HydrophobicContact CG-CE2 4.16Å; T56-Y60 HydrophobicContact CG2-CE2 4.29Å; T56-Y60 WeakPolarHBondContact O-CD2 3.34Å; V57-Y60 PolarHBondContact O-N 2.92Å; R58-Y60 PolarHBondContact O-N 2.61Å; Y60-R64 PolarHBondContact O-NH1 3.34Å; Y60-I102 HydrophobicContact CD2-CD1 4.32Å
61L92.7Very high94.7Very high1 Ų129.3 Ų29.31%0.00514%0.139CC..Hα-helixtrans-74-46.5169.3-73.8174.3000112.3R58 D59 S63 R64 W65 T96 L100 W187 P228 P230 V237R58-L61 WeakPolarHBondContact O-CA 3.28Å; R58-L61 VanDerWaalsContact O-CB 3.28Å; R58-L61 WeakPolarHBondContact O-CB 3.34Å; R58-L61 PolarHBondContact O-N 3.4Å; D59-L61 VanDerWaalsContact C-N 3.34Å; L61-S63 VanDerWaalsContact C-N 3.27Å; L61-S63 PolarHBondContact O-N 3.28Å; L61-R64 WeakPolarHBondContact O-CA 3.49Å; L61-R64 WeakPolarHBondContact O-CB 3.45Å; L61-R64 PolarHBondContact O-N 2.87Å; L61-W65 WeakPolarHBondContact O-CB 3.32Å; L61-W65 PolarHBondContact O-N 3.5Å; L61-T96 HydrophobicContact CD1-CG2 3.54Å; L61-T96 HydrophobicContact CD2-CG2 3.98Å; L61-T96 HydrophobicContact CG-CG2 3.72Å; L61-L100 HydrophobicContact CD2-CD1 4.07Å; L61-L100 HydrophobicContact CD2-CD2 4.04Å; L61-L100 HydrophobicContact CD2-CG 4.2Å; L61-L100 HydrophobicContact CG-CD1 4.13Å; L61-W187 HydrophobicContact CD1-CZ3 4.48Å; L61-P228 HydrophobicContact CD1-CB 4.16Å; L61-P228 HydrophobicContact CD1-CG 3.71Å; L61-P230 HydrophobicContact CD2-CB 3.69Å; L61-P230 HydrophobicContact CD2-CG 3.93Å; L61-V237 HydrophobicContact CD2-CG1 4.47Å; L61-V237 HydrophobicContact CD2-CG2 4.02Å
62V93Very high94.4Very high45 Ų4528.9 Ų28.927%0.27314%0.137SC..Hα-helixtrans-52.9-44.8-171.2170.70000111.8R58 D59 R64 W65 I66R58-V62 HydrophobicContact CG-CG2 4.47Å; R58-V62 WeakPolarHBondContact O-CG2 3.47Å; R58-V62 PolarHBondContact O-N 3.03Å; D59-V62 PolarHBondContact O-N 3.47Å; V62-R64 VanDerWaalsContact C-N 3.31Å; V62-R64 PolarHBondContact O-N 2.9Å; V62-W65 PolarHBondContact O-N 3.23Å; V62-I66 HydrophobicContact CG1-CD1 3.81Å; V62-I66 HydrophobicContact CG1-CG1 4.46Å; V62-I66 WeakPolarHBondContact O-CG1 3.27Å; V62-I66 PolarHBondContact O-N 3.37Å
63S90.3Very high94Very high10 Ų1033.3 Ų33.37%0.0716%0.158CC..Hα-helixtrans-70.1-22.7-179.2-62.50000114.2L61 R67L61-S63 VanDerWaalsContact C-N 3.27Å; L61-S63 PolarHBondContact O-N 3.28Å; S63-R67 WeakPolarHBondContact O-CG 3.27Å; S63-R67 PolarHBondContact O-NE 3Å
64R93.8Very high93.7Very high4 Ų439.6 Ų39.62%0.01519%0.187CC..Hα-helixtrans-83.4-40.1171.2-69172.1170.386-4.3111.3E20 Y60 L61 V62 R67 T68 L100 N235 V237 P825E20-R64 VanDerWaalsContact CD-NH2 3.3Å; E20-R64 IonicContact OE1-CZ 2.65Å; E20-R64 IonicContact OE1-NH1 3.56Å; E20-R64 PolarHBondContact OE1-NH1 2.69Å; E20-R64 IonicContact OE1-NH2 3.51Å; E20-R64 PolarHBondContact OE1-NH2 2.73Å; E20-R64 IonicContact OE2-CZ 3.9Å; E20-R64 IonicContact OE2-NH2 2.74Å; E20-R64 PolarHBondContact OE2-NH2 2.9Å; Y60-R64 PolarHBondContact O-NH1 3.34Å; L61-R64 WeakPolarHBondContact O-CA 3.49Å; L61-R64 WeakPolarHBondContact O-CB 3.45Å; L61-R64 PolarHBondContact O-N 2.87Å; V62-R64 VanDerWaalsContact C-N 3.31Å; V62-R64 PolarHBondContact O-N 2.9Å; R64-R67 PolarHBondContact O-N 3.08Å; R64-T68 PolarHBondContact O-N 3.38Å; R64-T68 PolarHBondContact O-OG1 2.79Å; R64-L100 VanDerWaalsContact CD-CD2 3.47Å; R64-N235 HydrophobicContact CG-CB 4.39Å; R64-N235 PolarHBondContact NE-OD1 2.91Å; R64-N235 PolarHBondContact NH2-OD1 3.46Å; R64-V237 HydrophobicContact CB-CG2 3.64Å; R64-P825 HydrophobicContact CG-CG 4.11Å
65W95.8Very high93.4Very high22 Ų2246.7 Ų46.78%0.08322%0.218CC..Hα-helixtrans-62.9-49.9-178.8-165.726.8000113.1L61 V62 R67 T68 Q69 D226 P228 V237 N238 T239L61-W65 WeakPolarHBondContact O-CB 3.32Å; L61-W65 PolarHBondContact O-N 3.5Å; V62-W65 PolarHBondContact O-N 3.23Å; W65-R67 VanDerWaalsContact C-N 3.27Å; W65-R67 PolarHBondContact O-N 3.13Å; W65-T68 PolarHBondContact O-N 2.95Å; W65-Q69 WeakPolarHBondContact O-CG 3.49Å; W65-Q69 PolarHBondContact O-N 2.85Å; W65-D226 HydrophobicContact CH2-CB 3.52Å; W65-D226 HydrophobicContact CZ2-CB 3.67Å; W65-P228 HydrophobicContact CD2-CB 4.04Å; W65-P228 HydrophobicContact CE3-CB 4.2Å; W65-P228 HydrophobicContact CG-CB 4.45Å; W65-P228 HydrophobicContact CH2-CB 4.44Å; W65-P228 HydrophobicContact CZ2-CB 4.3Å; W65-P228 HydrophobicContact CZ3-CB 4.4Å; W65-V237 HydrophobicContact CB-CB 4.03Å; W65-V237 HydrophobicContact CB-CG1 3.88Å; W65-V237 VanDerWaalsContact CD1-O 3.31Å; W65-V237 HydrophobicContact CG-CB 4.32Å; W65-V237 HydrophobicContact CG-CG1 3.83Å; W65-N238 PolarHBondContact NE1-O 3.18Å; W65-T239 HydrophobicContact CZ2-CG2 4.12Å; W65-T239 PolarHBondContact NE1-OG1 3.43Å
66I93.2Very high93.1Very high85 Ų8545.6 Ų45.644%0.43621%0.213SC..Hα-helixtrans-59.1-41.6178.2-60.3164.7000110.4I13 V62 Q69 Q70I13-I66 HydrophobicContact CD1-CB 3.79Å; I13-I66 HydrophobicContact CD1-CD1 4.49Å; I13-I66 HydrophobicContact CD1-CG2 3.73Å; V62-I66 HydrophobicContact CG1-CD1 3.81Å; V62-I66 HydrophobicContact CG1-CG1 4.46Å; V62-I66 WeakPolarHBondContact O-CG1 3.27Å; V62-I66 PolarHBondContact O-N 3.37Å; I66-Q69 PolarHBondContact O-N 3.12Å; I66-Q70 VanDerWaalsContact O-CB 3.26Å; I66-Q70 WeakPolarHBondContact O-CB 3.22Å; I66-Q70 PolarHBondContact O-N 2.91Å
67R91.8Very high93.1Very high53 Ų5347.1 Ų47.120%0.222%0.223CC..Hα-helixtrans-71.3-33.8179.2-63.5-176.5-55.4130.123.8113.1I13 S63 R64 W65 H71 P823 A824 P825I13-R67 HydrophobicContact CD1-CG 3.47Å; I13-R67 VanDerWaalsContact CD1-CG 3.47Å; S63-R67 WeakPolarHBondContact O-CG 3.27Å; S63-R67 PolarHBondContact O-NE 3Å; R64-R67 PolarHBondContact O-N 3.08Å; W65-R67 VanDerWaalsContact C-N 3.27Å; W65-R67 PolarHBondContact O-N 3.13Å; R67-H71 VanDerWaalsContact O-CB 3.24Å; R67-H71 WeakPolarHBondContact O-CB 3.41Å; R67-H71 PolarHBondContact O-N 3.29Å; R67-P823 PolarHBondContact NH1-O 3.21Å; R67-P823 PolarHBondContact NH2-O 3.38Å; R67-A824 PolarHBondContact NH1-O 3.14Å; R67-P825 VanDerWaalsContact CZ-CA 3.43Å
68T95Very high93.1Very high0 Ų049.1 Ų49.10%023%0.232CC..Hα-helixtrans-64.4-49.2172.9-57.40000110.5R64 W65 Q70 H71 Y72 V236 V237R64-T68 PolarHBondContact O-N 3.38Å; R64-T68 PolarHBondContact O-OG1 2.79Å; W65-T68 PolarHBondContact O-N 2.95Å; T68-Q70 VanDerWaalsContact C-N 3.34Å; T68-Q70 PolarHBondContact O-N 3.09Å; T68-H71 PolarHBondContact O-N 3.13Å; T68-Y72 HydrophobicContact CG2-CD2 3.99Å; T68-Y72 HydrophobicContact CG2-CE2 3.4Å; T68-Y72 VanDerWaalsContact CG2-CE2 3.4Å; T68-Y72 WeakPolarHBondContact O-CD2 3.42Å; T68-Y72 PolarHBondContact O-N 3.38Å; T68-V236 HydrophobicContact CG2-CG1 3.85Å; T68-V237 WeakPolarHBondContact CB-O 3.43Å; T68-V237 VanDerWaalsContact CG2-O 3.25Å; T68-V237 WeakPolarHBondContact CG2-O 3.47Å; T68-V237 PolarHBondContact OG1-N 3.1Å
69Q93.5Very high93.2Very high49 Ų4947.1 Ų47.123%0.22922%0.224CC..Hα-helixtrans-65.9-35.4178.2-60.8-58.2-54.600112.1W65 I66 H73 Y153 T239W65-Q69 WeakPolarHBondContact O-CG 3.49Å; W65-Q69 PolarHBondContact O-N 2.85Å; I66-Q69 PolarHBondContact O-N 3.12Å; Q69-H73 PolarHBondContact O-N 3.08Å; Q69-Y153 PolarHBondContact OE1-OH 3.37Å; Q69-T239 PolarHBondContact NE2-OG1 2.9Å
70Q90.8Very high93.5Very high93 Ų9343.7 Ų43.744%0.43521%0.206SC..Hα-helixtrans-66.2-44.9171.9-179.9174.5-7.400112I66 T68 Y72 H73 E74I66-Q70 VanDerWaalsContact O-CB 3.26Å; I66-Q70 WeakPolarHBondContact O-CB 3.22Å; I66-Q70 PolarHBondContact O-N 2.91Å; T68-Q70 VanDerWaalsContact C-N 3.34Å; T68-Q70 PolarHBondContact O-N 3.09Å; Q70-Y72 VanDerWaalsContact C-N 3.34Å; Q70-Y72 PolarHBondContact O-N 3.29Å; Q70-H73 CarbonylContact O-C 3.59Å; Q70-H73 WeakPolarHBondContact O-CA 3.44Å; Q70-H73 WeakPolarHBondContact O-CB 3.19Å; Q70-H73 PolarHBondContact O-N 3.22Å; Q70-E74 HydrophobicContact CG-CG 4.34Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.23Å; Q70-E74 PolarHBondContact NE2-OE1 2.89Å; Q70-E74 WeakPolarHBondContact O-CG 3.5Å; Q70-E74 PolarHBondContact O-N 3.09Å
71H92.6Very high93.8Very high68 Ų6843.3 Ų43.332%0.31521%0.205SC..Hα-helixtrans-59.2-44.7176.318096.4000111.4R67 T68 H73 E74 K75R67-H71 VanDerWaalsContact O-CB 3.24Å; R67-H71 WeakPolarHBondContact O-CB 3.41Å; R67-H71 PolarHBondContact O-N 3.29Å; T68-H71 PolarHBondContact O-N 3.13Å; H71-H73 PolarHBondContact O-N 2.89Å; H71-E74 PolarHBondContact O-N 3.26Å; H71-K75 WeakPolarHBondContact O-CB 3.47Å; H71-K75 WeakPolarHBondContact O-CG 3.35Å; H71-K75 PolarHBondContact O-N 2.87Å
72Y93.9Very high94.1Very high9 Ų943.3 Ų43.34%0.03520%0.204CC..Hα-helixtrans-67.5-20.8173.3-62.2-27.1000113.7T68 Q70 D76 P77 R79 G149 V150 P151 V236 N238T68-Y72 HydrophobicContact CG2-CD2 3.99Å; T68-Y72 HydrophobicContact CG2-CE2 3.4Å; T68-Y72 VanDerWaalsContact CG2-CE2 3.4Å; T68-Y72 WeakPolarHBondContact O-CD2 3.42Å; T68-Y72 PolarHBondContact O-N 3.38Å; Q70-Y72 VanDerWaalsContact C-N 3.34Å; Q70-Y72 PolarHBondContact O-N 3.29Å; Y72-D76 PolarHBondContact O-N 3.48Å; Y72-P77 HydrophobicContact CD1-CG 4.16Å; Y72-P77 WeakPolarHBondContact O-CD 3.49Å; Y72-R79 PolarHBondContact O-NH2 2.69Å; Y72-G149 PolarHBondContact OH-O 3.47Å; Y72-G149 VanDerWaalsContact OH-O 3.11Å; Y72-V150 PolarHBondContact OH-O 3.15Å; Y72-P151 HydrophobicContact CD1-CB 3.91Å; Y72-P151 HydrophobicContact CD1-CG 4Å; Y72-P151 HydrophobicContact CD2-CB 4.34Å; Y72-P151 HydrophobicContact CE1-CB 3.77Å; Y72-P151 HydrophobicContact CE1-CG 3.65Å; Y72-P151 HydrophobicContact CE2-CB 4.2Å; Y72-P151 HydrophobicContact CG-CB 4.2Å; Y72-V236 WeakPolarHBondContact OH-CG1 3.44Å; Y72-N238 WeakPolarHBondContact CE2-OD1 3.49Å; Y72-N238 PolarHBondContact OH-OD1 2.92Å
73H90Very high94.4Very high93 Ų9341.1 Ų41.143%0.43119%0.191SC..Hα-helixtrans-78.5-42.4170.7-175.948.4000111.9Q69 Q70 H71 Y313Q69-H73 PolarHBondContact O-N 3.08Å; Q70-H73 CarbonylContact O-C 3.59Å; Q70-H73 WeakPolarHBondContact O-CA 3.44Å; Q70-H73 WeakPolarHBondContact O-CB 3.19Å; Q70-H73 PolarHBondContact O-N 3.22Å; H71-H73 PolarHBondContact O-N 2.89Å; H73-Y313 WeakPolarHBondContact CA-OH 3.42Å; H73-Y313 AromaticContact CE1-CE1 3.85Å; H73-Y313 AromaticContact ND1-CE1 3.44Å; H73-Y313 WeakPolarHBondContact ND1-CE1 3.38Å; H73-Y313 AromaticContact ND1-CZ 3.49Å; H73-Y313 PolarHBondContact ND1-OH 3.43Å; H73-Y313 WeakPolarHBondContact O-CE1 3.31Å
74E90.1Very high94.7Very high132 Ų13240.7 Ų40.762%0.61719%0.188SC*.Hα-helixtrans-73.9-36.9-177.7-70.7173.2-178.100113.3Q70 H71Q70-E74 HydrophobicContact CG-CG 4.34Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.23Å; Q70-E74 PolarHBondContact NE2-OE1 2.89Å; Q70-E74 WeakPolarHBondContact O-CG 3.5Å; Q70-E74 PolarHBondContact O-N 3.09Å; H71-E74 PolarHBondContact O-N 3.26Å
75K91.8Very high94.8Very high149 Ų14940.5 Ų40.565%0.64819%0.187SC*.SBendtrans-85-20.9178.3-64.5-62.4-172.7174.50114.1H71H71-K75 WeakPolarHBondContact O-CB 3.47Å; H71-K75 WeakPolarHBondContact O-CG 3.35Å; H71-K75 PolarHBondContact O-N 2.87Å
76D93Very high94.7Very high13 Ų1339.7 Ų39.77%0.0718%0.184CC..  trans37.561-170.6-173.849.3000115.1Y72 R79 Y313 R321 K329Y72-D76 PolarHBondContact O-N 3.48Å; D76-R79 IonicContact OD1-CZ 3.13Å; D76-R79 VanDerWaalsContact OD1-CZ 3.25Å; D76-R79 IonicContact OD1-NH1 2.7Å; D76-R79 PolarHBondContact OD1-NH1 3Å; D76-R79 IonicContact OD1-NH2 2.7Å; D76-R79 PolarHBondContact OD1-NH2 3.3Å; D76-Y313 HydrophobicContact CB-CD1 3.99Å; D76-Y313 HydrophobicContact CB-CE1 3.84Å; D76-Y313 WeakPolarHBondContact OD1-CE2 3.34Å; D76-R321 IonicContact OD1-NH1 3.85Å; D76-R321 IonicContact OD2-CZ 3.76Å; D76-R321 IonicContact OD2-NH1 3.1Å; D76-R321 PolarHBondContact OD2-NH1 3.01Å; D76-R321 IonicContact OD2-NH2 3.68Å; D76-R321 PolarHBondContact OD2-NH2 3.21Å; D76-K329 PolarHBondContact O-NZ 2.65Å; D76-K329 WeakPolarHBondContact OD2-CE 3.31Å; D76-K329 IonicContact OD2-NZ 2.92Å; D76-K329 PolarHBondContact OD2-NZ 2.85Å
77P95.2Very high94.8Very high34 Ų3435.8 Ų35.822%0.22116%0.164CC..  trans-70.7168.717733.4-36.4000111.6Y72 R79 P151Y72-P77 HydrophobicContact CD1-CG 4.16Å; Y72-P77 WeakPolarHBondContact O-CD 3.49Å; P77-R79 PolarHBondContact O-NH1 3.15Å; P77-P151 HydrophobicContact CB-CB 4.38Å; P77-P151 HydrophobicContact CB-CG 3.82Å; P77-P151 HydrophobicContact CG-CB 3.68Å; P77-P151 HydrophobicContact CG-CG 3.49Å; P77-P151 VanDerWaalsContact CG-CG 3.49Å
78K97.7Very high94.9Very high42 Ų4233.9 Ų33.918%0.18316%0.157CC..  trans-62.6135.7161.5-172.9173.5-176.3177.70109P327 W813 D814 V815K78-P327 WeakPolarHBondContact CE-O 3.47Å; K78-P327 PolarHBondContact NZ-O 2.99Å; K78-W813 WeakPolarHBondContact CD-O 3.48Å; K78-W813 WeakPolarHBondContact CE-O 3.49Å; K78-W813 PolarHBondContact NZ-O 2.73Å; K78-D814 WeakPolarHBondContact CD-O 3.25Å; K78-V815 HydrophobicContact CB-CG2 4.2Å; K78-V815 HydrophobicContact CD-CG2 4.02Å; K78-V815 HydrophobicContact CG-CG2 4.02Å
79R98.2Very high94.8Very high5 Ų535.7 Ų35.72%0.01917%0.166CC..EExtended strand (participates in β ladder)trans-115.8138.4-174.2-68.3171.7-166.486.8-8.6111.2Y72 D76 P77 Y81 P151 Y153 Y313 K329 A331Y72-R79 PolarHBondContact O-NH2 2.69Å; D76-R79 IonicContact OD1-CZ 3.13Å; D76-R79 VanDerWaalsContact OD1-CZ 3.25Å; D76-R79 IonicContact OD1-NH1 2.7Å; D76-R79 PolarHBondContact OD1-NH1 3Å; D76-R79 IonicContact OD1-NH2 2.7Å; D76-R79 PolarHBondContact OD1-NH2 3.3Å; P77-R79 PolarHBondContact O-NH1 3.15Å; R79-Y81 HydrophobicContact CB-CE1 4.5Å; R79-Y81 HydrophobicContact CB-CE2 3.81Å; R79-P151 VanDerWaalsContact CA-O 3.27Å; R79-P151 WeakPolarHBondContact CA-O 3.18Å; R79-P151 HydrophobicContact CG-CB 4.16Å; R79-Y153 HydrophobicContact CB-CE2 4.5Å; R79-Y153 HydrophobicContact CG-CE2 4.31Å; R79-Y313 VanDerWaalsContact NH2-CZ 3.34Å; R79-Y313 PolarHBondContact NH2-OH 3.42Å; R79-K329 PolarHBondContact N-O 2.98Å; R79-A331 PolarHBondContact O-N 3.43Å
80V98.8Very high94.8Very high0 Ų033.4 Ų33.40%016%0.155CC..EExtended strand (participates in β ladder)trans-96.1129.9177.2-176.40000109.1M145 V150 P151 A152 Y153 W813 V815V80-M145 HydrophobicContact CG1-SD 4.1Å; V80-V150 HydrophobicContact CG2-CG1 3.9Å; V80-P151 PolarHBondContact N-O 2.85Å; V80-A152 HydrophobicContact CB-CB 4.24Å; V80-A152 WeakPolarHBondContact O-CA 3.19Å; V80-Y153 PolarHBondContact O-N 3.02Å; V80-W813 HydrophobicContact CB-CE3 4.38Å; V80-W813 HydrophobicContact CG1-CD2 3.73Å; V80-W813 HydrophobicContact CG1-CE3 3.77Å; V80-W813 HydrophobicContact CG1-CG 4.38Å; V80-W813 HydrophobicContact CG1-CH2 3.99Å; V80-W813 HydrophobicContact CG1-CZ2 3.95Å; V80-W813 HydrophobicContact CG1-CZ3 3.9Å; V80-W813 HydrophobicContact CG2-CB 4.23Å; V80-W813 HydrophobicContact CG2-CD2 3.94Å; V80-W813 HydrophobicContact CG2-CE3 3.7Å; V80-W813 HydrophobicContact CG2-CG 4.19Å; V80-W813 HydrophobicContact CG2-CZ3 4.38Å; V80-V815 HydrophobicContact CG2-CG2 3.96Å
81Y98.9Very high94.9Very high3 Ų330.3 Ų30.31%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-118.6108.2177.4-60.9-71.8000109.1R79 Y153 Y155 I306 R309 V330 A331 I332 Q333R79-Y81 HydrophobicContact CB-CE1 4.5Å; R79-Y81 HydrophobicContact CB-CE2 3.81Å; Y81-Y153 HydrophobicContact CD1-CD2 4.08Å; Y81-Y153 HydrophobicContact CD1-CG 4.25Å; Y81-Y153 AromaticContact CE1-CD2 3.59Å; Y81-Y153 HydrophobicContact CE1-CD2 3.59Å; Y81-Y153 HydrophobicContact CE1-CE2 4.25Å; Y81-Y153 AromaticContact CE1-CG 3.99Å; Y81-Y153 HydrophobicContact CE1-CG 3.99Å; Y81-Y155 HydrophobicContact CD1-CD2 4.15Å; Y81-Y155 AromaticContact CD1-CE2 3.62Å; Y81-Y155 HydrophobicContact CD1-CE2 3.62Å; Y81-Y155 HydrophobicContact CE1-CE2 4.08Å; Y81-I306 HydrophobicContact CD1-CD1 3.84Å; Y81-I306 HydrophobicContact CD1-CG1 3.78Å; Y81-I306 HydrophobicContact CD2-CD1 3.82Å; Y81-I306 HydrophobicContact CD2-CG1 4.05Å; Y81-I306 HydrophobicContact CD2-CG2 4.26Å; Y81-I306 HydrophobicContact CE1-CD1 4.38Å; Y81-I306 HydrophobicContact CE1-CG1 3.82Å; Y81-I306 HydrophobicContact CE2-CD1 4.33Å; Y81-I306 HydrophobicContact CE2-CG1 4.06Å; Y81-I306 HydrophobicContact CE2-CG2 3.89Å; Y81-I306 HydrophobicContact CG-CD1 3.51Å; Y81-I306 HydrophobicContact CG-CG1 3.88Å; Y81-R309 WeakPolarHBondContact OH-CD 3.46Å; Y81-R309 PolarHBondContact OH-NH1 3.35Å; Y81-V330 HydrophobicContact CD2-CG1 3.78Å; Y81-V330 HydrophobicContact CE2-CB 4.38Å; Y81-V330 HydrophobicContact CE2-CG1 3.82Å; Y81-V330 HydrophobicContact CE2-CG2 4.31Å; Y81-A331 PolarHBondContact N-O 2.92Å; Y81-I332 HydrophobicContact CD2-CG1 4.34Å; Y81-I332 WeakPolarHBondContact O-CA 3.35Å; Y81-Q333 PolarHBondContact O-N 3.24Å
82Y98.8Very high95Very high0 Ų028 Ų280%013%0.13CC..EExtended strand (participates in β ladder)trans-99103.5-176.9-165.3-89.8000109.5F87 A138 F141 Y153 Y155 Q333 N335Y82-F87 HydrophobicContact CD1-CE1 4.23Å; Y82-F87 HydrophobicContact CD1-CZ 4.18Å; Y82-A138 HydrophobicContact CD1-CB 4.38Å; Y82-A138 HydrophobicContact CE1-CB 3.66Å; Y82-F141 AromaticContact CE2-CD2 3.66Å; Y82-F141 HydrophobicContact CE2-CD2 3.66Å; Y82-F141 HydrophobicContact CE2-CE2 4.2Å; Y82-F141 AromaticContact CZ-CD2 3.74Å; Y82-Y153 PolarHBondContact N-O 3.33Å; Y82-Y155 PolarHBondContact O-N 2.65Å; Y82-Q333 HydrophobicContact CD2-CB 3.75Å; Y82-Q333 HydrophobicContact CD2-CG 3.93Å; Y82-Q333 HydrophobicContact CE2-CB 4.17Å; Y82-Q333 HydrophobicContact CE2-CG 3.81Å; Y82-N335 HydrophobicContact CE1-CB 3.81Å; Y82-N335 PolarHBondContact OH-ND2 3.29Å; Y82-N335 PolarHBondContact OH-OD1 3Å; Y82-N335 VanDerWaalsContact OH-OD1 3.05Å
83L98.8Very high95.2Very high0 Ų027.5 Ų27.50%013%0.129CC..EExtended strand (participates in β ladder)trans-93.3124.5-175.4-82.957.4000109.7T302 I332 Q333 N335 P339 A342L83-T302 HydrophobicContact CD1-CG2 3.72Å; L83-T302 HydrophobicContact CD2-CG2 4.07Å; L83-T302 HydrophobicContact CG-CG2 3.9Å; L83-I332 HydrophobicContact CD1-CG2 3.68Å; L83-I332 HydrophobicContact CD2-CG2 3.93Å; L83-I332 HydrophobicContact CG-CG2 4.36Å; L83-Q333 PolarHBondContact N-O 2.87Å; L83-N335 VanDerWaalsContact O-CB 3.24Å; L83-N335 WeakPolarHBondContact O-CB 3.39Å; L83-N335 PolarHBondContact O-N 2.87Å; L83-P339 HydrophobicContact CB-CB 3.84Å; L83-P339 HydrophobicContact CB-CG 4.18Å; L83-P339 HydrophobicContact CD2-CB 4.26Å; L83-A342 HydrophobicContact CD2-CB 4.38Å
84S97.6Very high95.2Very high0 Ų024.8 Ų24.80%012%0.12CC..  trans-151.1147.5172.3-162.10000113.2E86 L134 Y155 G156 N335S84-E86 PolarHBondContact OG-N 3.24Å; S84-E86 PolarHBondContact OG-O 3.39Å; S84-L134 WeakPolarHBondContact OG-CD2 3.42Å; S84-Y155 PolarHBondContact N-O 2.84Å; S84-G156 VanDerWaalsContact O-CA 3.23Å; S84-G156 WeakPolarHBondContact O-CA 3.1Å; S84-N335 WeakPolarHBondContact CB-ND2 3.31Å; S84-N335 PolarHBondContact OG-ND2 2.99Å
85L95.7Very high95.2Very high1 Ų121.1 Ų21.11%0.00510%0.104CC..SBendtrans-79.8-1167.3-88.876.7000112.4Y159 Q294 Q295 L298 H338L85-Y159 WeakPolarHBondContact O-CE2 3.39Å; L85-Y159 PolarHBondContact O-OH 3.26Å; L85-Q294 HydrophobicContact CD2-CB 4.05Å; L85-Q295 HydrophobicContact CD1-CG 4.28Å; L85-Q295 HydrophobicContact CD2-CG 3.8Å; L85-L298 HydrophobicContact CD1-CB 4.42Å; L85-L298 HydrophobicContact CD1-CD2 3.42Å; L85-L298 VanDerWaalsContact CD1-CD2 3.42Å; L85-L298 HydrophobicContact CG-CD2 4.3Å; L85-H338 HydrophobicContact CB-CB 4.38Å; L85-H338 HydrophobicContact CD1-CB 3.81Å; L85-H338 HydrophobicContact CD2-CB 4.47Å; L85-H338 HydrophobicContact CG-CB 4.44Å
86E94Very high95.3Very high4 Ų414 Ų142%0.0197%0.074CC..  trans-133.8132.5175.2-60.8-171.9-160.900113.1S84 L129 N131 G132 L134 G135 A138 L278 Y279S84-E86 PolarHBondContact OG-N 3.24Å; S84-E86 PolarHBondContact OG-O 3.39Å; E86-L129 CarbonylContact C-O 3.55Å; E86-L129 VanDerWaalsContact CA-O 3.3Å; E86-L129 WeakPolarHBondContact CA-O 3.39Å; E86-N131 VanDerWaalsContact CD-N 3.31Å; E86-N131 PolarHBondContact OE2-N 2.78Å; E86-G132 PolarHBondContact OE2-N 3.44Å; E86-L134 HydrophobicContact CB-CD2 3.84Å; E86-L134 HydrophobicContact CG-CD2 4.07Å; E86-G135 WeakPolarHBondContact OE2-CA 3.2Å; E86-G135 PolarHBondContact OE2-N 3.42Å; E86-A138 WeakPolarHBondContact O-CB 3.28Å; E86-L278 HydrophobicContact CG-CD1 4.36Å; E86-Y279 HydrophobicContact CG-CE2 4.02Å; E86-Y279 WeakPolarHBondContact OE1-CE2 3.28Å; E86-Y279 PolarHBondContact OE1-OH 3.11Å
87F95.2Very high95.4Very high3 Ų313.4 Ų13.41%0.0137%0.071CC..EExtended strand (participates in β ladder)trans-136.896.6165.6-71.8-86.3000109.7Y82 M89 L129 A138 L142 Y155 L240 L242Y82-F87 HydrophobicContact CD1-CE1 4.23Å; Y82-F87 HydrophobicContact CD1-CZ 4.18Å; F87-M89 VanDerWaalsContact C-N 3.27Å; F87-M89 HydrophobicContact CB-CG 4.26Å; F87-M89 HydrophobicContact CB-SD 4.16Å; F87-M89 PolarHBondContact O-N 2.91Å; F87-L129 PolarHBondContact N-O 3.19Å; F87-L129 CarbonylContact O-C 3.6Å; F87-L129 WeakPolarHBondContact O-CB 3.46Å; F87-A138 HydrophobicContact CD1-CB 3.69Å; F87-A138 HydrophobicContact CE1-CB 3.72Å; F87-A138 HydrophobicContact CG-CB 4.41Å; F87-A138 HydrophobicContact CZ-CB 4.45Å; F87-L142 HydrophobicContact CD1-CD1 3.57Å; F87-L142 HydrophobicContact CD1-CG 4.29Å; F87-L142 HydrophobicContact CE1-CD1 3.58Å; F87-L142 HydrophobicContact CE1-CD2 4.23Å; F87-L142 HydrophobicContact CE1-CG 3.96Å; F87-Y155 WeakPolarHBondContact CE2-O 3.36Å; F87-L240 HydrophobicContact CB-CD2 4.17Å; F87-L240 HydrophobicContact CD1-CD1 4.02Å; F87-L240 HydrophobicContact CD1-CD2 4.36Å; F87-L240 HydrophobicContact CD2-CD1 3.89Å; F87-L240 HydrophobicContact CE1-CD1 4.04Å; F87-L240 HydrophobicContact CE2-CD1 3.91Å; F87-L240 HydrophobicContact CG-CD1 3.95Å; F87-L240 HydrophobicContact CG-CD2 4.18Å; F87-L240 HydrophobicContact CZ-CD1 3.98Å; F87-L242 HydrophobicContact CD2-CD2 4.48Å
88Y93Very high95.1Very high14 Ų1415.6 Ų15.66%0.0558%0.08CC..EExtended strand (participates in β ladder)trans-84.771.2-177.1-149.5147.5000110.3G130 G135 R136 I163 R630 V631Y88-G130 WeakPolarHBondContact CD1-O 3.15Å; Y88-G130 WeakPolarHBondContact CE1-O 3.46Å; Y88-G135 VanDerWaalsContact N-C 3.34Å; Y88-G135 PolarHBondContact N-O 2.98Å; Y88-R136 WeakPolarHBondContact O-CD 3.32Å; Y88-R136 PolarHBondContact O-NH1 3.25Å; Y88-I163 HydrophobicContact CE1-CG2 4.25Å; Y88-R630 HydrophobicContact CE2-CB 4.25Å; Y88-R630 VanDerWaalsContact OH-CA 3.3Å; Y88-R630 WeakPolarHBondContact OH-CA 3.41Å; Y88-R630 WeakPolarHBondContact OH-CB 3.32Å; Y88-V631 HydrophobicContact CD2-CB 4.43Å; Y88-V631 HydrophobicContact CD2-CG2 3.45Å; Y88-V631 VanDerWaalsContact CD2-CG2 3.45Å; Y88-V631 HydrophobicContact CE2-CB 4.43Å; Y88-V631 HydrophobicContact CE2-CG2 3.8Å; Y88-V631 HydrophobicContact CG-CG2 4.07Å
89M93.3Very high94.8Very high38 Ų3813.9 Ų13.919%0.1877%0.073CC..EExtended strand (participates in β ladder)trans-67.3-42.2-172.3-59.4-56.5-67.400112.3F87 A127 R136 A139 L142 L240F87-M89 VanDerWaalsContact C-N 3.27Å; F87-M89 HydrophobicContact CB-CG 4.26Å; F87-M89 HydrophobicContact CB-SD 4.16Å; F87-M89 PolarHBondContact O-N 2.91Å; M89-A127 HydrophobicContact CB-CB 4.12Å; M89-R136 PolarHBondContact O-NH1 3.22Å; M89-A139 HydrophobicContact SD-CB 3.58Å; M89-A139 VanDerWaalsContact SD-CB 3.58Å; M89-L142 HydrophobicContact SD-CD1 4.32Å; M89-L240 HydrophobicContact CE-CD2 4.39Å; M89-L240 HydrophobicContact CG-CD2 4.08Å; M89-L240 HydrophobicContact SD-CD2 3.9Å
90G93Very high94.5Very high0 Ų014.3 Ų14.30%08%0.075CC..EExtended strand (participates in β ladder)trans77.3-145.2-17200000111.5A127G90-A127 PolarHBondContact O-N 3.02Å
91R93.1Very high94Very high28 Ų2816.5 Ų16.511%0.10610%0.098CC..  trans-78.1147173.7-71.2-177.6176.8153.5-0.9111.4Q121 E122 E124 T632R91-Q121 WeakPolarHBondContact CD-O 3.48Å; R91-Q121 PolarHBondContact NE-O 2.94Å; R91-Q121 PolarHBondContact NH1-O 3.11Å; R91-E122 IonicContact CZ-OE1 3.1Å; R91-E122 IonicContact CZ-OE2 2.8Å; R91-E122 IonicContact NH1-OE1 3.84Å; R91-E122 PolarHBondContact NH1-OE1 3.31Å; R91-E122 IonicContact NH1-OE2 2.74Å; R91-E122 PolarHBondContact NH1-OE2 3.28Å; R91-E122 VanDerWaalsContact NH1-OE2 3.1Å; R91-E122 PolarHBondContact NH2-O 3.07Å; R91-E122 IonicContact NH2-OE1 3.92Å; R91-E122 IonicContact NH2-OE2 2.74Å; R91-E122 PolarHBondContact NH2-OE2 3.39Å; R91-E124 HydrophobicContact CB-CG 4.21Å; R91-E124 WeakPolarHBondContact CB-OE2 3.48Å; R91-E124 HydrophobicContact CG-CB 3.93Å; R91-E124 HydrophobicContact CG-CG 3.91Å; R91-E124 PolarHBondContact NE-O 2.92Å; R91-T632 VanDerWaalsContact CZ-CG2 3.47Å; R91-T632 PolarHBondContact NE-OG1 2.6Å; R91-T632 VanDerWaalsContact NH1-CG2 3.34Å
92T95.9Very high93.7Very high19 Ų1916.5 Ų16.512%0.11710%0.098CC..  trans-113.4-23.9-173.1-55.40000112.8T96 E124 W187T92-T96 VanDerWaalsContact O-CB 3.28Å; T92-T96 WeakPolarHBondContact O-CB 3.49Å; T92-T96 PolarHBondContact O-N 2.95Å; T92-T96 PolarHBondContact O-OG1 2.61Å; T92-E124 PolarHBondContact N-OE1 3.35Å; T92-E124 PolarHBondContact N-OE2 3.26Å; T92-W187 HydrophobicContact CG2-CD2 3.73Å; T92-W187 HydrophobicContact CG2-CE3 4.14Å; T92-W187 HydrophobicContact CG2-CG 3.86Å
93L96.6Very high93.2Very high0 Ų020.5 Ų20.50%012%0.117CC..Hα-helixtrans-58.4-55.5-177.2-179.554.4000112.1Y50 L53 V57 T96 M97 Q121 E124 W187Y50-L93 HydrophobicContact CD2-CD2 4.09Å; Y50-L93 HydrophobicContact CE2-CD2 4.06Å; L53-L93 HydrophobicContact CD2-CD2 3.98Å; L53-L93 HydrophobicContact CG-CD1 4.19Å; L53-L93 HydrophobicContact CG-CD2 4.36Å; V57-L93 HydrophobicContact CB-CD1 4.23Å; V57-L93 HydrophobicContact CG1-CD1 4.34Å; V57-L93 HydrophobicContact CG2-CD1 3.97Å; L93-T96 PolarHBondContact O-N 3.45Å; L93-M97 HydrophobicContact CD1-CE 4.22Å; L93-M97 HydrophobicContact CD1-CG 4.27Å; L93-M97 HydrophobicContact CD1-SD 4.02Å; L93-M97 HydrophobicContact CG-CE 3.95Å; L93-M97 HydrophobicContact CG-SD 4.41Å; L93-M97 WeakPolarHBondContact O-CG 3.42Å; L93-M97 PolarHBondContact O-N 2.85Å; L93-Q121 HydrophobicContact CD2-CG 4.03Å; L93-Q121 HydrophobicContact CG-CG 4.45Å; L93-E124 WeakPolarHBondContact CB-OE2 3.22Å; L93-E124 PolarHBondContact N-OE1 2.78Å; L93-E124 PolarHBondContact N-OE2 3.33Å; L93-W187 HydrophobicContact CB-CH2 4.4Å; L93-W187 HydrophobicContact CB-CZ2 3.83Å; L93-W187 HydrophobicContact CD1-CH2 3.89Å; L93-W187 HydrophobicContact CD1-CZ2 4.05Å
94S90.8Very high92.8Very high36 Ų3624.2 Ų24.225%0.25215%0.147SC..Hα-helixtrans-66-43.8-175.2-36.80000112.4T96 M97 L98 Q121S94-T96 VanDerWaalsContact C-N 3.34Å; S94-T96 PolarHBondContact O-N 2.88Å; S94-M97 PolarHBondContact O-N 2.71Å; S94-L98 WeakPolarHBondContact O-CB 3.4Å; S94-L98 PolarHBondContact O-N 3.17Å; S94-Q121 PolarHBondContact OG-OE1 3.31Å
95N90.5Very high92.7Very high54 Ų5425.8 Ų25.829%0.28916%0.157SC..Hα-helixtrans-61.7-40.8174.5168.5-104.3000111.7L98 N99 D143N95-L98 PolarHBondContact O-N 3.05Å; N95-N99 PolarHBondContact ND2-ND2 3.47Å; N95-N99 WeakPolarHBondContact O-CB 3.43Å; N95-N99 PolarHBondContact O-N 2.76Å; N95-D143 PolarHBondContact ND2-OD2 2.69Å; N95-D143 VanDerWaalsContact ND2-OD2 3.15Å
96T94.3Very high92.6Very high1 Ų125.8 Ų25.81%0.00616%0.157CC..Hα-helixtrans-64.5-46.4176.9-61.10000111.8V57 L61 T92 L93 S94 L98 N99 L100 W187V57-T96 HydrophobicContact CG1-CG2 3.38Å; L61-T96 HydrophobicContact CD1-CG2 3.54Å; L61-T96 HydrophobicContact CD2-CG2 3.98Å; L61-T96 HydrophobicContact CG-CG2 3.72Å; T92-T96 VanDerWaalsContact O-CB 3.28Å; T92-T96 WeakPolarHBondContact O-CB 3.49Å; T92-T96 PolarHBondContact O-N 2.95Å; T92-T96 PolarHBondContact O-OG1 2.61Å; L93-T96 PolarHBondContact O-N 3.45Å; S94-T96 VanDerWaalsContact C-N 3.34Å; S94-T96 PolarHBondContact O-N 2.88Å; T96-L98 VanDerWaalsContact C-N 3.3Å; T96-L98 PolarHBondContact O-N 2.72Å; T96-N99 PolarHBondContact O-N 2.87Å; T96-L100 HydrophobicContact CG2-CD1 3.92Å; T96-L100 HydrophobicContact CG2-CG 4.32Å; T96-L100 WeakPolarHBondContact O-CB 3.45Å; T96-L100 WeakPolarHBondContact O-CG 3.16Å; T96-L100 PolarHBondContact O-N 3.2Å; T96-W187 HydrophobicContact CG2-CZ3 4.39Å
97M93.9Very high92.6Very high0 Ų029.5 Ų29.50%018%0.177CC..Hα-helixtrans-64.2-35.8179.2-68.7-172.7-55.400112.5V57 L93 S94 G101 I102 Q103 C106 I117V57-M97 HydrophobicContact CG1-CG 3.96Å; V57-M97 HydrophobicContact CG2-CG 3.78Å; V57-M97 HydrophobicContact CG2-SD 4Å; L93-M97 HydrophobicContact CD1-CE 4.22Å; L93-M97 HydrophobicContact CD1-CG 4.27Å; L93-M97 HydrophobicContact CD1-SD 4.02Å; L93-M97 HydrophobicContact CG-CE 3.95Å; L93-M97 HydrophobicContact CG-SD 4.41Å; L93-M97 WeakPolarHBondContact O-CG 3.42Å; L93-M97 PolarHBondContact O-N 2.85Å; S94-M97 PolarHBondContact O-N 2.71Å; M97-G101 PolarHBondContact O-N 3Å; M97-I102 HydrophobicContact CB-CG1 4.32Å; M97-I102 HydrophobicContact CG-CG1 4.44Å; M97-I102 PolarHBondContact O-N 2.99Å; M97-Q103 HydrophobicContact CB-CB 4.02Å; M97-Q103 HydrophobicContact CB-CG 4.46Å; M97-Q103 PolarHBondContact O-N 3.31Å; M97-C106 HydrophobicContact SD-CB 3.55Å; M97-C106 VanDerWaalsContact SD-CB 3.55Å; M97-I117 HydrophobicContact CE-CD1 3.96Å; M97-I117 HydrophobicContact SD-CD1 4Å
98L89.3Confident92.6Very high79 Ų7933.3 Ų33.341%0.41420%0.195SC..Hα-helixtrans-67.9-53.8174.4179.364.3000111.8S94 N95 T96 L100 G101 Y232S94-L98 WeakPolarHBondContact O-CB 3.4Å; S94-L98 PolarHBondContact O-N 3.17Å; N95-L98 PolarHBondContact O-N 3.05Å; T96-L98 VanDerWaalsContact C-N 3.3Å; T96-L98 PolarHBondContact O-N 2.72Å; L98-L100 VanDerWaalsContact C-N 3.27Å; L98-L100 PolarHBondContact O-N 3.21Å; L98-G101 PolarHBondContact O-N 3.34Å; L98-Y232 HydrophobicContact CD1-CE2 4.23Å; L98-Y232 HydrophobicContact CG-CE2 4.21Å
99N91.4Very high92.7Very high6 Ų632.6 Ų32.63%0.03219%0.192CC..Hα-helixtrans-68.6-25.8-175.9-72.812000112.3N95 T96 D143 P230 Q233N95-N99 PolarHBondContact ND2-ND2 3.47Å; N95-N99 WeakPolarHBondContact O-CB 3.43Å; N95-N99 PolarHBondContact O-N 2.76Å; T96-N99 PolarHBondContact O-N 2.87Å; N99-D143 PolarHBondContact ND2-OD2 3.47Å; N99-P230 HydrophobicContact CB-CB 4.03Å; N99-P230 HydrophobicContact CB-CG 3.99Å; N99-P230 PolarHBondContact ND2-O 2.97Å; N99-Q233 WeakPolarHBondContact O-CA 3.22Å; N99-Q233 PolarHBondContact O-N 2.99Å
100L91.5Very high92.9Very high15 Ų1530.9 Ų30.98%0.07918%0.183CC..THydrogen-bonded Turntrans-79.4-15.4169.1-69.4-176.6000114L61 R64 T96 L98 I102L61-L100 HydrophobicContact CD2-CD1 4.07Å; L61-L100 HydrophobicContact CD2-CD2 4.04Å; L61-L100 HydrophobicContact CD2-CG 4.2Å; L61-L100 HydrophobicContact CG-CD1 4.13Å; R64-L100 VanDerWaalsContact CD-CD2 3.47Å; T96-L100 HydrophobicContact CG2-CD1 3.92Å; T96-L100 HydrophobicContact CG2-CG 4.32Å; T96-L100 WeakPolarHBondContact O-CB 3.45Å; T96-L100 WeakPolarHBondContact O-CG 3.16Å; T96-L100 PolarHBondContact O-N 3.2Å; L98-L100 VanDerWaalsContact C-N 3.27Å; L98-L100 PolarHBondContact O-N 3.21Å; L100-I102 HydrophobicContact CB-CD1 4.08Å; L100-I102 HydrophobicContact CB-CG1 3.96Å; L100-I102 HydrophobicContact CB-CG2 4.04Å; L100-I102 HydrophobicContact CD1-CD1 3.84Å
101G88.5Confident93Very high45 Ų4539.1 Ų39.146%0.46422%0.216SC..THydrogen-bonded Turntrans75.819.5-17600000114.5M97 L98M97-G101 PolarHBondContact O-N 3Å; L98-G101 PolarHBondContact O-N 3.34Å
102I92.8Very high93.2Very high3 Ų342.2 Ų42.22%0.01523%0.231CC..  trans-108.3-0.7-169.969.4176.6000114.3E20 M25 V57 Y60 M97 L100 A104 T105 C106E20-I102 HydrophobicContact CB-CG2 4.11Å; E20-I102 HydrophobicContact CG-CG2 3.94Å; M25-I102 HydrophobicContact CE-CB 3.78Å; M25-I102 HydrophobicContact CE-CD1 3.9Å; M25-I102 HydrophobicContact CE-CG1 4.16Å; M25-I102 HydrophobicContact CE-CG2 4.44Å; V57-I102 HydrophobicContact CG1-CD1 4.49Å; Y60-I102 HydrophobicContact CD2-CD1 4.32Å; M97-I102 HydrophobicContact CB-CG1 4.32Å; M97-I102 HydrophobicContact CG-CG1 4.44Å; M97-I102 PolarHBondContact O-N 2.99Å; L100-I102 HydrophobicContact CB-CD1 4.08Å; L100-I102 HydrophobicContact CB-CG1 3.96Å; L100-I102 HydrophobicContact CB-CG2 4.04Å; L100-I102 HydrophobicContact CD1-CD1 3.84Å; I102-A104 PolarHBondContact O-N 3.24Å; I102-T105 WeakPolarHBondContact O-CA 3.4Å; I102-T105 WeakPolarHBondContact O-CB 3.38Å; I102-T105 PolarHBondContact O-N 2.84Å; I102-C106 PolarHBondContact O-N 3.49Å
103Q89.1Confident93.2Very high85 Ų8542.5 Ų42.540%0.39723%0.232SC..Hα-helixtrans-52.6-48.9-172.5-176.1176.6-12.400114M97 T105 C106 D107M97-Q103 HydrophobicContact CB-CB 4.02Å; M97-Q103 HydrophobicContact CB-CG 4.46Å; M97-Q103 PolarHBondContact O-N 3.31Å; Q103-T105 VanDerWaalsContact C-N 3.26Å; Q103-T105 PolarHBondContact O-N 3.02Å; Q103-C106 WeakPolarHBondContact O-CB 3.29Å; Q103-C106 PolarHBondContact O-N 3.46Å; Q103-D107 WeakPolarHBondContact O-CB 3.24Å; Q103-D107 PolarHBondContact O-N 3.44Å
104A90.2Very high93.2Very high77 Ų7745.7 Ų45.764%0.63627%0.265SS*.Hα-helixtrans-64.9-29.7178.600000112.9I102 E108I102-A104 PolarHBondContact O-N 3.24Å; A104-E108 WeakPolarHBondContact O-CB 3.32Å; A104-E108 PolarHBondContact O-N 3.46Å; A104-E108 VanDerWaalsContact O-N 3.15Å
105T94.3Very high93.5Very high33 Ų3345.2 Ų45.220%0.20226%0.259CS..Hα-helixtrans-72.9-37.3175.7-41.50000111.3N21 V22 M25 I102 Q103 A109N21-T105 VanDerWaalsContact C-CG2 3.48Å; V22-T105 HydrophobicContact CB-CG2 4.5Å; V22-T105 HydrophobicContact CG2-CG2 3.76Å; M25-T105 HydrophobicContact CE-CG2 3.94Å; M25-T105 HydrophobicContact CG-CG2 4.46Å; M25-T105 HydrophobicContact SD-CG2 3.54Å; M25-T105 VanDerWaalsContact SD-CG2 3.54Å; I102-T105 WeakPolarHBondContact O-CA 3.4Å; I102-T105 WeakPolarHBondContact O-CB 3.38Å; I102-T105 PolarHBondContact O-N 2.84Å; Q103-T105 VanDerWaalsContact C-N 3.26Å; Q103-T105 PolarHBondContact O-N 3.02Å; T105-A109 WeakPolarHBondContact O-CB 3.44Å; T105-A109 PolarHBondContact O-N 2.85Å; T105-A109 VanDerWaalsContact O-N 3.11Å
106C94.7Very high93.7Very high2 Ų247 Ų471%0.01427%0.269CS..Hα-helixtrans-66.1-44.1172.7-680000111.7M25 M97 I102 Q103 A109 M110 I117M25-C106 VanDerWaalsContact CE-SG 3.56Å; M25-C106 HydrophobicContact SD-CB 4.37Å; M25-C106 PolarHBondContact SD-N 2.75Å; M25-C106 VanDerWaalsContact SD-SG 3.7Å; M97-C106 HydrophobicContact SD-CB 3.55Å; M97-C106 VanDerWaalsContact SD-CB 3.55Å; I102-C106 PolarHBondContact O-N 3.49Å; Q103-C106 WeakPolarHBondContact O-CB 3.29Å; Q103-C106 PolarHBondContact O-N 3.46Å; C106-A109 WeakPolarHBondContact O-CB 3.49Å; C106-A109 PolarHBondContact O-N 3.03Å; C106-M110 WeakPolarHBondContact O-CG 3.48Å; C106-M110 PolarHBondContact O-N 3.37Å; C106-I117 HydrophobicContact CB-CD1 3.77Å
107D92.5Very high93.6Very high81 Ų8147.5 Ų47.543%0.43327%0.271SS..Hα-helixtrans-59.5-56.3-179.6-171.223.1000111.4Q103 A109 M110 Y111 I117Q103-D107 WeakPolarHBondContact O-CB 3.24Å; Q103-D107 PolarHBondContact O-N 3.44Å; D107-A109 PolarHBondContact O-N 3Å; D107-M110 PolarHBondContact O-N 3.41Å; D107-Y111 WeakPolarHBondContact O-CB 3.48Å; D107-Y111 PolarHBondContact O-N 3.08Å; D107-I117 HydrophobicContact CB-CD1 4.48Å; D107-I117 HydrophobicContact CB-CG2 4.35Å; D107-I117 VanDerWaalsContact OD1-CG2 3.3Å; D107-I117 WeakPolarHBondContact OD1-CG2 3.29Å
108E95.2Very high93.4Very high83 Ų8353.6 Ų53.639%0.38830%0.3SS..Hα-helixtrans-57.6-35.7173.9-178.663.2-149.100112.3V22 A104 Q112V22-E108 HydrophobicContact CG1-CG 4.11Å; V22-E108 HydrophobicContact CG2-CB 4.09Å; V22-E108 HydrophobicContact CG2-CG 3.85Å; A104-E108 WeakPolarHBondContact O-CB 3.32Å; A104-E108 PolarHBondContact O-N 3.46Å; A104-E108 VanDerWaalsContact O-N 3.15Å; E108-Q112 WeakPolarHBondContact O-CB 3.08Å; E108-Q112 VanDerWaalsContact O-CG 3.28Å; E108-Q112 WeakPolarHBondContact O-CG 3.34Å; E108-Q112 PolarHBondContact O-N 3.07Å; E108-Q112 WeakPolarHBondContact OE1-CG 3.3Å; E108-Q112 PolarHBondContact OE1-NE2 2.91Å
109A95.8Very high93.6Very high0 Ų054.9 Ų54.90%030%0.303CS..Hα-helixtrans-67.7-38175.700000113.1V22 M25 K26 T105 C106 D107 L113V22-A109 HydrophobicContact CG1-CB 4.14Å; M25-A109 HydrophobicContact CB-CB 3.9Å; K26-A109 HydrophobicContact CG-CB 3.79Å; T105-A109 WeakPolarHBondContact O-CB 3.44Å; T105-A109 PolarHBondContact O-N 2.85Å; T105-A109 VanDerWaalsContact O-N 3.11Å; C106-A109 WeakPolarHBondContact O-CB 3.49Å; C106-A109 PolarHBondContact O-N 3.03Å; D107-A109 PolarHBondContact O-N 3Å; A109-L113 WeakPolarHBondContact O-CD1 3.5Å; A109-L113 VanDerWaalsContact O-CG 3.24Å; A109-L113 WeakPolarHBondContact O-CG 3.34Å; A109-L113 PolarHBondContact O-N 3.32Å
110M97.2Very high93.8Very high2 Ų254.7 Ų54.71%0.0130%0.303CS..Hα-helixtrans-73.8-43.7176.6-67.3-51.895.100111F29 L53 C106 D107 Q112 L113 G114 L115 I117 L120F29-M110 HydrophobicContact CB-CE 4.38Å; F29-M110 HydrophobicContact CD2-CE 3.62Å; F29-M110 HydrophobicContact CD2-SD 3.92Å; F29-M110 HydrophobicContact CE2-CE 3.97Å; F29-M110 HydrophobicContact CE2-SD 3.62Å; F29-M110 HydrophobicContact CG-CE 3.98Å; F29-M110 HydrophobicContact CZ-SD 4.16Å; L53-M110 HydrophobicContact CB-SD 4.48Å; L53-M110 HydrophobicContact CD1-CE 4.08Å; L53-M110 HydrophobicContact CD1-CG 4.44Å; L53-M110 HydrophobicContact CD1-SD 4.1Å; L53-M110 HydrophobicContact CD2-CG 4.16Å; L53-M110 HydrophobicContact CD2-SD 4.17Å; L53-M110 HydrophobicContact CG-SD 4.48Å; C106-M110 WeakPolarHBondContact O-CG 3.48Å; C106-M110 PolarHBondContact O-N 3.37Å; D107-M110 PolarHBondContact O-N 3.41Å; M110-Q112 PolarHBondContact O-N 3.32Å; M110-L113 HydrophobicContact CE-CD1 4.02Å; M110-L113 CarbonylContact O-C 3.59Å; M110-L113 WeakPolarHBondContact O-CA 3.26Å; M110-L113 WeakPolarHBondContact O-CB 3.42Å; M110-L113 PolarHBondContact O-N 2.89Å; M110-G114 PolarHBondContact O-N 2.95Å; M110-G114 VanDerWaalsContact O-N 3.12Å; M110-L115 CarbonylContact C-O 3.23Å; M110-L115 VanDerWaalsContact C-O 3.23Å; M110-L115 HydrophobicContact CB-CB 4.2Å; M110-L115 PolarHBondContact O-N 2.81Å; M110-L115 HydrophobicContact SD-CD1 4.19Å; M110-I117 HydrophobicContact CB-CB 4.38Å; M110-I117 HydrophobicContact CG-CB 4.33Å; M110-I117 HydrophobicContact CG-CD1 4.17Å; M110-I117 HydrophobicContact CG-CG1 4.19Å; M110-L120 HydrophobicContact CG-CD1 4.48Å; M110-L120 HydrophobicContact SD-CD1 4.06Å
111Y96.2Very high93.9Very high173 Ų17355.4 Ų55.468%0.67831%0.305SS*.Hα-helixtrans-55.4-50.4174.9178.6-107.3000111.7D107 L113 G114 L115D107-Y111 WeakPolarHBondContact O-CB 3.48Å; D107-Y111 PolarHBondContact O-N 3.08Å; Y111-L113 PolarHBondContact O-N 3.04Å; Y111-L113 VanDerWaalsContact O-N 3.08Å; Y111-G114 PolarHBondContact O-N 3.21Å; Y111-L115 PolarHBondContact N-O 3.35Å
112Q97Very high94.1Very high93 Ų9357.1 Ų57.144%0.43530%0.302SS..THydrogen-bonded Turntrans-69.7-1.3175-65.3-174.615.300114.9K26 E108 M110K26-Q112 HydrophobicContact CD-CB 4.02Å; K26-Q112 VanDerWaalsContact NZ-CB 3.3Å; K26-Q112 PolarHBondContact NZ-O 3.5Å; E108-Q112 WeakPolarHBondContact O-CB 3.08Å; E108-Q112 VanDerWaalsContact O-CG 3.28Å; E108-Q112 WeakPolarHBondContact O-CG 3.34Å; E108-Q112 PolarHBondContact O-N 3.07Å; E108-Q112 WeakPolarHBondContact OE1-CG 3.3Å; E108-Q112 PolarHBondContact OE1-NE2 2.91Å; M110-Q112 PolarHBondContact O-N 3.32Å
113L95.9Very high94.3Very high25 Ų2558.4 Ų58.413%0.13131%0.308CS..THydrogen-bonded Turntrans-107.93170.4-72.6174.3000112.6K26 F29 R41 A109 M110 Y111 L115K26-L113 HydrophobicContact CB-CD1 4.32Å; K26-L113 HydrophobicContact CG-CD1 4.07Å; K26-L113 HydrophobicContact CG-CG 4.1Å; F29-L113 HydrophobicContact CB-CD1 4.4Å; F29-L113 HydrophobicContact CD1-CD1 3.54Å; F29-L113 HydrophobicContact CE1-CD1 3.98Å; F29-L113 HydrophobicContact CG-CD1 4.06Å; R41-L113 PolarHBondContact NH1-O 3.34Å; R41-L113 PolarHBondContact NH2-O 2.9Å; A109-L113 WeakPolarHBondContact O-CD1 3.5Å; A109-L113 VanDerWaalsContact O-CG 3.24Å; A109-L113 WeakPolarHBondContact O-CG 3.34Å; A109-L113 PolarHBondContact O-N 3.32Å; M110-L113 HydrophobicContact CE-CD1 4.02Å; M110-L113 CarbonylContact O-C 3.59Å; M110-L113 WeakPolarHBondContact O-CA 3.26Å; M110-L113 WeakPolarHBondContact O-CB 3.42Å; M110-L113 PolarHBondContact O-N 2.89Å; Y111-L113 PolarHBondContact O-N 3.04Å; Y111-L113 VanDerWaalsContact O-N 3.08Å; L113-L115 HydrophobicContact CB-CD1 4.36Å
114G96.3Very high94.7Very high66 Ų6654.7 Ų54.768%0.6829%0.291SS*.THydrogen-bonded Turntrans73.138.1-179.300000113.4M110 Y111M110-G114 PolarHBondContact O-N 2.95Å; M110-G114 VanDerWaalsContact O-N 3.12Å; Y111-G114 PolarHBondContact O-N 3.21Å
115L96.7Very high94.9Very high26 Ų2655.1 Ų55.114%0.13628%0.279CS..  trans-131.2139.1-177.2-59.8172.7000110.5F29 Y49 M110 Y111 L113 L120F29-L115 HydrophobicContact CE1-CD1 3.95Å; F29-L115 HydrophobicContact CE2-CD1 4.36Å; F29-L115 HydrophobicContact CZ-CD1 3.48Å; F29-L115 VanDerWaalsContact CZ-CD1 3.48Å; Y49-L115 HydrophobicContact CD1-CD1 3.94Å; Y49-L115 HydrophobicContact CD1-CD2 4.39Å; Y49-L115 HydrophobicContact CD2-CD1 4.39Å; Y49-L115 HydrophobicContact CD2-CD2 3.51Å; Y49-L115 HydrophobicContact CE1-CD1 4.43Å; Y49-L115 HydrophobicContact CE1-CD2 4.5Å; Y49-L115 HydrophobicContact CE2-CD2 3.7Å; Y49-L115 HydrophobicContact CG-CD1 3.91Å; Y49-L115 HydrophobicContact CG-CD2 3.9Å; M110-L115 CarbonylContact C-O 3.23Å; M110-L115 VanDerWaalsContact C-O 3.23Å; M110-L115 HydrophobicContact CB-CB 4.2Å; M110-L115 PolarHBondContact O-N 2.81Å; M110-L115 HydrophobicContact SD-CD1 4.19Å; Y111-L115 PolarHBondContact N-O 3.35Å; L113-L115 HydrophobicContact CB-CD1 4.36Å; L115-L120 HydrophobicContact CB-CD1 4.45Å; L115-L120 HydrophobicContact CD1-CD1 4.47Å
116D94Very high94.9Very high93 Ų9354 Ų5450%0.49727%0.272SS..  trans-88.1123.8172.6-174.7-21.5000109.9E118 E119 L120D116-E118 PolarHBondContact OD1-N 3.15Å; D116-E119 HydrophobicContact CB-CB 4.07Å; D116-E119 PolarHBondContact O-N 3.1Å; D116-L120 WeakPolarHBondContact O-CG 3.47Å; D116-L120 PolarHBondContact O-N 2.89Å
117I93.3Very high94.9Very high11 Ų1154.4 Ų54.46%0.05628%0.276CS..Hα-helixtrans-74.5-22.6-179.3-157169.2000113L53 M97 C106 D107 M110 Q121L53-I117 HydrophobicContact CD2-CD1 4.16Å; L53-I117 HydrophobicContact CD2-CG1 3.91Å; M97-I117 HydrophobicContact CE-CD1 3.96Å; M97-I117 HydrophobicContact SD-CD1 4Å; C106-I117 HydrophobicContact CB-CD1 3.77Å; D107-I117 HydrophobicContact CB-CD1 4.48Å; D107-I117 HydrophobicContact CB-CG2 4.35Å; D107-I117 VanDerWaalsContact OD1-CG2 3.3Å; D107-I117 WeakPolarHBondContact OD1-CG2 3.29Å; M110-I117 HydrophobicContact CB-CB 4.38Å; M110-I117 HydrophobicContact CG-CB 4.33Å; M110-I117 HydrophobicContact CG-CD1 4.17Å; M110-I117 HydrophobicContact CG-CG1 4.19Å; I117-Q121 WeakPolarHBondContact O-CB 3.47Å; I117-Q121 WeakPolarHBondContact O-CG 3.28Å; I117-Q121 PolarHBondContact O-N 2.99Å; I117-Q121 VanDerWaalsContact O-N 3.09Å; I117-Q121 PolarHBondContact O-NE2 2.93Å
118E89.6Confident94.8Very high127 Ų12750.7 Ų50.759%0.59326%0.256SS*.Hα-helixtrans-72.5-39.8172.1-66.5-158.7179.200110.8D116 L120 Q121 E122D116-E118 PolarHBondContact OD1-N 3.15Å; E118-L120 PolarHBondContact O-N 3.39Å; E118-Q121 PolarHBondContact O-N 3.46Å; E118-E122 PolarHBondContact O-N 3.3Å; E118-E122 VanDerWaalsContact O-N 3.08Å
119E93.6Very high94.7Very high106 Ų10646.9 Ų46.950%0.49524%0.239SC..Hα-helixtrans-59.4-47.2172.8-169-168166.600110.9D116 Q121 E122D116-E119 HydrophobicContact CB-CB 4.07Å; D116-E119 PolarHBondContact O-N 3.1Å; E119-Q121 VanDerWaalsContact C-N 3.31Å; E119-Q121 PolarHBondContact O-N 3.38Å; E119-E122 PolarHBondContact O-N 3.33Å; E119-E122 VanDerWaalsContact O-N 3.12Å
120L96.3Very high94.3Very high3 Ų346.9 Ų46.92%0.01624%0.239CC..Hα-helixtrans-64.8-33.1178.6-62-173.4000112.9P46 Y50 L53 M110 L115 D116 E118 E122 I123P46-L120 WeakPolarHBondContact O-CD2 3.44Å; Y50-L120 VanDerWaalsContact CD2-O 3.31Å; Y50-L120 WeakPolarHBondContact CD2-O 3.19Å; L53-L120 HydrophobicContact CD2-CB 4.43Å; L53-L120 HydrophobicContact CD2-CD1 4.04Å; M110-L120 HydrophobicContact CG-CD1 4.48Å; M110-L120 HydrophobicContact SD-CD1 4.06Å; L115-L120 HydrophobicContact CB-CD1 4.45Å; L115-L120 HydrophobicContact CD1-CD1 4.47Å; D116-L120 WeakPolarHBondContact O-CG 3.47Å; D116-L120 PolarHBondContact O-N 2.89Å; E118-L120 PolarHBondContact O-N 3.39Å; L120-E122 VanDerWaalsContact C-N 3.33Å; L120-I123 HydrophobicContact CD2-CD1 4.26Å; L120-I123 PolarHBondContact O-N 3.48Å
121Q92.9Very high93.5Very high29 Ų2948 Ų4814%0.13625%0.245CC..Hα-helixtrans-68.9-29.5173.9-78.3168.175.900112.6R91 L93 S94 I117 E118 E119 I123 E124R91-Q121 WeakPolarHBondContact CD-O 3.48Å; R91-Q121 PolarHBondContact NE-O 2.94Å; R91-Q121 PolarHBondContact NH1-O 3.11Å; L93-Q121 HydrophobicContact CD2-CG 4.03Å; L93-Q121 HydrophobicContact CG-CG 4.45Å; S94-Q121 PolarHBondContact OG-OE1 3.31Å; I117-Q121 WeakPolarHBondContact O-CB 3.47Å; I117-Q121 WeakPolarHBondContact O-CG 3.28Å; I117-Q121 PolarHBondContact O-N 2.99Å; I117-Q121 VanDerWaalsContact O-N 3.09Å; I117-Q121 PolarHBondContact O-NE2 2.93Å; E118-Q121 PolarHBondContact O-N 3.46Å; E119-Q121 VanDerWaalsContact C-N 3.31Å; E119-Q121 PolarHBondContact O-N 3.38Å; Q121-I123 PolarHBondContact O-N 2.9Å; Q121-E124 PolarHBondContact O-N 3.41Å
122E92.8Very high92.8Very high82 Ų8240.9 Ų40.938%0.38322%0.224SC..Hα-helixtrans-71.3-17.9177-75.5-53.3131.900114.3R91 E118 E119 L120 K636R91-E122 IonicContact CZ-OE1 3.1Å; R91-E122 IonicContact CZ-OE2 2.8Å; R91-E122 IonicContact NH1-OE1 3.84Å; R91-E122 PolarHBondContact NH1-OE1 3.31Å; R91-E122 IonicContact NH1-OE2 2.74Å; R91-E122 PolarHBondContact NH1-OE2 3.28Å; R91-E122 VanDerWaalsContact NH1-OE2 3.1Å; R91-E122 PolarHBondContact NH2-O 3.07Å; R91-E122 IonicContact NH2-OE1 3.92Å; R91-E122 IonicContact NH2-OE2 2.74Å; R91-E122 PolarHBondContact NH2-OE2 3.39Å; E118-E122 PolarHBondContact O-N 3.3Å; E118-E122 VanDerWaalsContact O-N 3.08Å; E119-E122 PolarHBondContact O-N 3.33Å; E119-E122 VanDerWaalsContact O-N 3.12Å; L120-E122 VanDerWaalsContact C-N 3.33Å; E122-K636 WeakPolarHBondContact OE1-CE 3.49Å; E122-K636 IonicContact OE1-NZ 2.69Å; E122-K636 PolarHBondContact OE1-NZ 2.75Å; E122-K636 IonicContact OE2-NZ 3.45Å
123I96.5Very high92.1Very high29 Ų2938.5 Ų38.515%0.14923%0.225CC..THydrogen-bonded Turntrans-82.2-15.6179.9-59.2167.4000112.5P46 R47 Y50 L120 Q121 E125P46-I123 VanDerWaalsContact C-CD1 3.46Å; P46-I123 HydrophobicContact CB-CD1 3.38Å; P46-I123 WeakPolarHBondContact O-CD1 3.41Å; R47-I123 HydrophobicContact CB-CG2 3.97Å; R47-I123 HydrophobicContact CG-CG2 3.86Å; R47-I123 PolarHBondContact NH1-O 3.28Å; Y50-I123 HydrophobicContact CD1-CG2 4.21Å; Y50-I123 HydrophobicContact CG-CB 4.29Å; Y50-I123 HydrophobicContact CG-CG2 4.2Å; L120-I123 HydrophobicContact CD2-CD1 4.26Å; L120-I123 PolarHBondContact O-N 3.48Å; Q121-I123 PolarHBondContact O-N 2.9Å; I123-E125 PolarHBondContact O-N 3.38Å
124E97.2Very high91.6Very high7 Ų738.5 Ų38.53%0.03323%0.225CC..SBendtrans-70.3124.1174.1-171170.9-162.600110.6Y50 R91 T92 L93 Q121 W187Y50-E124 HydrophobicContact CD2-CB 4.43Å; Y50-E124 HydrophobicContact CE2-CB 3.66Å; Y50-E124 HydrophobicContact CE2-CG 4.07Å; Y50-E124 WeakPolarHBondContact OH-CG 3.46Å; R91-E124 HydrophobicContact CB-CG 4.21Å; R91-E124 WeakPolarHBondContact CB-OE2 3.48Å; R91-E124 HydrophobicContact CG-CB 3.93Å; R91-E124 HydrophobicContact CG-CG 3.91Å; R91-E124 PolarHBondContact NE-O 2.92Å; T92-E124 PolarHBondContact N-OE1 3.35Å; T92-E124 PolarHBondContact N-OE2 3.26Å; L93-E124 WeakPolarHBondContact CB-OE2 3.22Å; L93-E124 PolarHBondContact N-OE1 2.78Å; L93-E124 PolarHBondContact N-OE2 3.33Å; Q121-E124 PolarHBondContact O-N 3.41Å; E124-W187 PolarHBondContact OE1-NE1 3.16Å
125E95.2Very high91.3Very high86 Ų8635.4 Ų35.440%0.40219%0.192SC..PPolyproline II helixtrans-74141172.8-46.7-61.9161.800109.5R47 I123 A127 W180R47-E125 IonicContact CZ-OE1 3.32Å; R47-E125 IonicContact NH1-OE1 3.37Å; R47-E125 PolarHBondContact NH1-OE1 3.23Å; R47-E125 IonicContact NH2-OE1 3.5Å; R47-E125 PolarHBondContact NH2-OE1 2.94Å; I123-E125 PolarHBondContact O-N 3.38Å; E125-A127 PolarHBondContact O-N 2.79Å; E125-W180 HydrophobicContact CB-CB 4.36Å
126D93.9Very high91.1Very high9 Ų936.7 Ų36.75%0.04820%0.195CC..PPolyproline II helixtrans-60.8128.8171.8-74.765.4000109.6G128 R630 V631 T632D126-G128 PolarHBondContact O-N 2.98Å; D126-R630 VanDerWaalsContact CG-CD 3.5Å; D126-R630 VanDerWaalsContact OD1-CD 3.27Å; D126-R630 WeakPolarHBondContact OD1-CD 3.44Å; D126-R630 IonicContact OD1-CZ 2.71Å; D126-R630 IonicContact OD1-NE 3.28Å; D126-R630 PolarHBondContact OD1-NE 2.65Å; D126-R630 IonicContact OD1-NH2 2.79Å; D126-R630 WeakPolarHBondContact OD2-CG 3.36Å; D126-R630 IonicContact OD2-NE 3.54Å; D126-V631 PolarHBondContact OD2-N 2.83Å; D126-T632 WeakPolarHBondContact OD1-CB 3.18Å; D126-T632 PolarHBondContact OD1-OG1 2.93Å; D126-T632 PolarHBondContact OD2-N 3.25Å; D126-T632 PolarHBondContact OD2-OG1 2.83Å
127A94.9Very high90.9Very high12 Ų1233.7 Ų33.710%0.09918%0.179CC..EExtended strand (participates in β ladder)trans-70.481.4163.100000109.4M89 G90 E125 L129 W180M89-A127 HydrophobicContact CB-CB 4.12Å; G90-A127 PolarHBondContact O-N 3.02Å; E125-A127 PolarHBondContact O-N 2.79Å; A127-L129 PolarHBondContact O-N 3.45Å; A127-W180 HydrophobicContact CB-CE3 4.01Å; A127-W180 HydrophobicContact CB-CZ3 3.85Å
128G91.1Very high90.9Very high2 Ų233.1 Ų33.12%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-73.132.4-172.100000115.3D126 G130 G162 I163D126-G128 PolarHBondContact O-N 2.98Å; G128-G130 PolarHBondContact O-N 3.41Å; G128-G162 CarbonylContact O-C 3.59Å; G128-G162 WeakPolarHBondContact O-CA 3.37Å; G128-I163 PolarHBondContact O-N 2.8Å
129L92.9Very high91Very high4 Ų427.3 Ų27.32%0.02115%0.15CC..EExtended strand (participates in β ladder)trans-77.326.8-173.3-53.9176.2000113.6E86 F87 A127 Y159 W180 L242E86-L129 CarbonylContact C-O 3.55Å; E86-L129 VanDerWaalsContact CA-O 3.3Å; E86-L129 WeakPolarHBondContact CA-O 3.39Å; F87-L129 PolarHBondContact N-O 3.19Å; F87-L129 CarbonylContact O-C 3.6Å; F87-L129 WeakPolarHBondContact O-CB 3.46Å; A127-L129 PolarHBondContact O-N 3.45Å; L129-Y159 HydrophobicContact CD2-CD2 4.06Å; L129-Y159 HydrophobicContact CD2-CG 4.45Å; L129-W180 HydrophobicContact CD1-CH2 4.12Å; L129-W180 HydrophobicContact CD1-CZ2 3.95Å; L129-W180 HydrophobicContact CD2-CZ2 3.74Å; L129-W180 HydrophobicContact CG-CZ2 4.12Å; L129-L242 HydrophobicContact CD1-CD1 3.51Å
130G87.7Confident91Very high0 Ų023.9 Ų23.90%014%0.137CC..  trans-154.5156.9175.300000112.3Y88 G128 I163Y88-G130 WeakPolarHBondContact CD1-O 3.15Å; Y88-G130 WeakPolarHBondContact CE1-O 3.46Å; G128-G130 PolarHBondContact O-N 3.41Å; G130-I163 WeakPolarHBondContact O-CG2 3.33Å
131N80.2Confident91Very high26 Ų2623.9 Ų23.914%0.13914%0.137CC..  trans-98-15.3-174.3-77.3-22.7000113.8E86 I163 L278 Y279E86-N131 VanDerWaalsContact CD-N 3.31Å; E86-N131 PolarHBondContact OE2-N 2.78Å; N131-I163 HydrophobicContact CB-CD1 4.12Å; N131-I163 WeakPolarHBondContact OD1-CB 3.19Å; N131-I163 WeakPolarHBondContact OD1-CD1 3.32Å; N131-I163 WeakPolarHBondContact OD1-CG1 3.33Å; N131-L278 WeakPolarHBondContact OD1-CD2 3.18Å; N131-Y279 WeakPolarHBondContact ND2-CD2 3.38Å; N131-Y279 VanDerWaalsContact ND2-CE2 3.32Å; N131-Y279 WeakPolarHBondContact ND2-CE2 3.21Å
132G81.8Confident91.1Very high23 Ų2322.8 Ų22.824%0.23713%0.132CC..SBendtrans171.1-128.4178.100000114.8E86 L134 G135 R136E86-G132 PolarHBondContact OE2-N 3.44Å; G132-L134 PolarHBondContact O-N 2.84Å; G132-G135 PolarHBondContact O-N 2.88Å; G132-R136 PolarHBondContact O-N 2.87Å
133G80.9Confident91.1Very high43 Ų4320.8 Ų20.844%0.44312%0.124SC..Hα-helixtrans-59.1-41.8-170.600000114.1R136 L137G133-R136 PolarHBondContact O-N 3.48Å; G133-L137 VanDerWaalsContact O-CB 3.3Å; G133-L137 WeakPolarHBondContact O-CB 3.42Å; G133-L137 PolarHBondContact O-N 3.07Å
134L87.1Confident91.1Very high25 Ų2519.5 Ų19.513%0.13112%0.117CC..Hα-helixtrans-64.4-53.9178.8-176.1155.6000111.1S84 E86 G132 R136 L137 A138 N335 D336S84-L134 WeakPolarHBondContact OG-CD2 3.42Å; E86-L134 HydrophobicContact CB-CD2 3.84Å; E86-L134 HydrophobicContact CG-CD2 4.07Å; G132-L134 PolarHBondContact O-N 2.84Å; L134-R136 VanDerWaalsContact C-N 3.31Å; L134-R136 PolarHBondContact O-N 3.05Å; L134-L137 WeakPolarHBondContact O-CB 3.36Å; L134-L137 PolarHBondContact O-N 3.41Å; L134-A138 PolarHBondContact O-N 2.95Å; L134-N335 VanDerWaalsContact CD2-ND2 3.31Å; L134-N335 WeakPolarHBondContact CD2-ND2 3.39Å; L134-D336 HydrophobicContact CD1-CB 3.82Å
135G89Confident91.2Very high0 Ų019.1 Ų19.10%012%0.116CC..Hα-helixtrans-59.8-36.2175.300000114.4E86 Y88 G132 A139E86-G135 WeakPolarHBondContact OE2-CA 3.2Å; E86-G135 PolarHBondContact OE2-N 3.42Å; Y88-G135 VanDerWaalsContact N-C 3.34Å; Y88-G135 PolarHBondContact N-O 2.98Å; G132-G135 PolarHBondContact O-N 2.88Å; G135-A139 PolarHBondContact O-N 3.1Å; G135-A139 VanDerWaalsContact O-N 3.14Å
136R91.7Very high91.3Very high53 Ų5315 Ų1520%0.210%0.097CC..Hα-helixtrans-77.3-30.8177.7-171.762.1-151.4-170.7-0.4113.1Y88 M89 G132 G133 L134 A138 A139 C140Y88-R136 WeakPolarHBondContact O-CD 3.32Å; Y88-R136 PolarHBondContact O-NH1 3.25Å; M89-R136 PolarHBondContact O-NH1 3.22Å; G132-R136 PolarHBondContact O-N 2.87Å; G133-R136 PolarHBondContact O-N 3.48Å; L134-R136 VanDerWaalsContact C-N 3.31Å; L134-R136 PolarHBondContact O-N 3.05Å; R136-A138 VanDerWaalsContact C-N 3.33Å; R136-A139 PolarHBondContact O-N 3.22Å; R136-C140 PolarHBondContact NE-SG 2.95Å; R136-C140 VanDerWaalsContact NE-SG 3.43Å; R136-C140 PolarHBondContact O-N 2.96Å; R136-C140 PolarHBondContact O-SG 3.06Å
137L90.5Very high91.4Very high30 Ų3014.8 Ų14.816%0.15710%0.096CC..Hα-helixtrans-60.2-47.3170.4-172.874.4000109.9G133 L134 A139 C140 F141 T657G133-L137 VanDerWaalsContact O-CB 3.3Å; G133-L137 WeakPolarHBondContact O-CB 3.42Å; G133-L137 PolarHBondContact O-N 3.07Å; L134-L137 WeakPolarHBondContact O-CB 3.36Å; L134-L137 PolarHBondContact O-N 3.41Å; L137-A139 PolarHBondContact O-N 3.42Å; L137-C140 PolarHBondContact O-N 2.89Å; L137-F141 HydrophobicContact CD1-CD1 4.13Å; L137-F141 HydrophobicContact CD1-CE1 3.45Å; L137-F141 VanDerWaalsContact CD1-CE1 3.45Å; L137-F141 HydrophobicContact CD1-CE2 4.5Å; L137-F141 HydrophobicContact CD1-CZ 3.67Å; L137-F141 HydrophobicContact CD2-CE1 4.47Å; L137-F141 HydrophobicContact CD2-CE2 4.09Å; L137-F141 HydrophobicContact CD2-CZ 3.89Å; L137-F141 HydrophobicContact CG-CD1 4.19Å; L137-F141 HydrophobicContact CG-CD2 4.42Å; L137-F141 HydrophobicContact CG-CE1 3.77Å; L137-F141 HydrophobicContact CG-CE2 4.02Å; L137-F141 HydrophobicContact CG-CZ 3.67Å; L137-F141 WeakPolarHBondContact O-CB 3.41Å; L137-F141 WeakPolarHBondContact O-CD1 3.38Å; L137-F141 WeakPolarHBondContact O-CG 3.43Å; L137-F141 PolarHBondContact O-N 3.41Å; L137-T657 HydrophobicContact CD1-CG2 4.31Å
138A93.2Very high91.4Very high0 Ų014.3 Ų14.30%09%0.091CC..Hα-helixtrans-55.6-47.8175.100000112Y82 E86 F87 L134 R136 F141 L142Y82-A138 HydrophobicContact CD1-CB 4.38Å; Y82-A138 HydrophobicContact CE1-CB 3.66Å; E86-A138 WeakPolarHBondContact O-CB 3.28Å; F87-A138 HydrophobicContact CD1-CB 3.69Å; F87-A138 HydrophobicContact CE1-CB 3.72Å; F87-A138 HydrophobicContact CG-CB 4.41Å; F87-A138 HydrophobicContact CZ-CB 4.45Å; L134-A138 PolarHBondContact O-N 2.95Å; R136-A138 VanDerWaalsContact C-N 3.33Å; A138-F141 PolarHBondContact O-N 3.43Å; A138-L142 WeakPolarHBondContact O-CG 3.44Å; A138-L142 PolarHBondContact O-N 3.08Å; A138-L142 VanDerWaalsContact O-N 3.07Å
139A92.8Very high91.7Very high4 Ų414.7 Ų14.73%0.03310%0.095CC..Hα-helixtrans-60.4-45.8176.700000113.2M89 G135 R136 L137 F141 L142 D143M89-A139 HydrophobicContact SD-CB 3.58Å; M89-A139 VanDerWaalsContact SD-CB 3.58Å; G135-A139 PolarHBondContact O-N 3.1Å; G135-A139 VanDerWaalsContact O-N 3.14Å; R136-A139 PolarHBondContact O-N 3.22Å; L137-A139 PolarHBondContact O-N 3.42Å; A139-F141 VanDerWaalsContact C-N 3.33Å; A139-F141 PolarHBondContact O-N 3.33Å; A139-L142 PolarHBondContact O-N 3.38Å; A139-D143 PolarHBondContact O-N 2.91Å
140C92.7Very high92Very high34 Ų3414.5 Ų14.523%0.239%0.094CC..Hα-helixtrans-65.8-33.4175.8-72.70000112.7R136 L137 D143 S144R136-C140 PolarHBondContact NE-SG 2.95Å; R136-C140 VanDerWaalsContact NE-SG 3.43Å; R136-C140 PolarHBondContact O-N 2.96Å; R136-C140 PolarHBondContact O-SG 3.06Å; L137-C140 PolarHBondContact O-N 2.89Å; C140-D143 PolarHBondContact O-N 3.36Å; C140-S144 PolarHBondContact O-N 3.34Å
141F95.6Very high92.4Very high3 Ų315 Ų151%0.01310%0.097CC..Hα-helixtrans-67.7-35.1175.7-79.29.9000112.1Y82 L137 A138 A139 M145 T804 I805 Y808Y82-F141 AromaticContact CE2-CD2 3.66Å; Y82-F141 HydrophobicContact CE2-CD2 3.66Å; Y82-F141 HydrophobicContact CE2-CE2 4.2Å; Y82-F141 AromaticContact CZ-CD2 3.74Å; L137-F141 HydrophobicContact CD1-CD1 4.13Å; L137-F141 HydrophobicContact CD1-CE1 3.45Å; L137-F141 VanDerWaalsContact CD1-CE1 3.45Å; L137-F141 HydrophobicContact CD1-CE2 4.5Å; L137-F141 HydrophobicContact CD1-CZ 3.67Å; L137-F141 HydrophobicContact CD2-CE1 4.47Å; L137-F141 HydrophobicContact CD2-CE2 4.09Å; L137-F141 HydrophobicContact CD2-CZ 3.89Å; L137-F141 HydrophobicContact CG-CD1 4.19Å; L137-F141 HydrophobicContact CG-CD2 4.42Å; L137-F141 HydrophobicContact CG-CE1 3.77Å; L137-F141 HydrophobicContact CG-CE2 4.02Å; L137-F141 HydrophobicContact CG-CZ 3.67Å; L137-F141 WeakPolarHBondContact O-CB 3.41Å; L137-F141 WeakPolarHBondContact O-CD1 3.38Å; L137-F141 WeakPolarHBondContact O-CG 3.43Å; L137-F141 PolarHBondContact O-N 3.41Å; A138-F141 PolarHBondContact O-N 3.43Å; A139-F141 VanDerWaalsContact C-N 3.33Å; A139-F141 PolarHBondContact O-N 3.33Å; F141-M145 HydrophobicContact CB-CE 4.43Å; F141-M145 VanDerWaalsContact O-CB 3.31Å; F141-M145 WeakPolarHBondContact O-CB 3.28Å; F141-M145 WeakPolarHBondContact O-CE 3.36Å; F141-M145 VanDerWaalsContact O-CG 3.27Å; F141-M145 WeakPolarHBondContact O-CG 3.43Å; F141-M145 PolarHBondContact O-N 3.48Å; F141-T804 HydrophobicContact CE1-CG2 3.72Å; F141-T804 HydrophobicContact CZ-CG2 3.58Å; F141-I805 HydrophobicContact CB-CD1 3.95Å; F141-I805 HydrophobicContact CD1-CD1 4.06Å; F141-I805 HydrophobicContact CD1-CG1 4.35Å; F141-I805 HydrophobicContact CD2-CD1 4.01Å; F141-I805 HydrophobicContact CG-CD1 3.75Å; F141-I805 HydrophobicContact CG-CG1 4.45Å; F141-Y808 AromaticContact CE2-CE2 3.86Å; F141-Y808 HydrophobicContact CE2-CE2 3.86Å; F141-Y808 AromaticContact CZ-CE2 3.89Å; F141-Y808 HydrophobicContact CZ-CE2 3.89Å
142L95.8Very high93.3Very high6 Ų613.9 Ų13.93%0.0319%0.092CC..Hα-helixtrans-64.3-44.2174.6-65.6180000112.4F87 M89 A138 A139 M145 A146 V229 L240F87-L142 HydrophobicContact CD1-CD1 3.57Å; F87-L142 HydrophobicContact CD1-CG 4.29Å; F87-L142 HydrophobicContact CE1-CD1 3.58Å; F87-L142 HydrophobicContact CE1-CD2 4.23Å; F87-L142 HydrophobicContact CE1-CG 3.96Å; M89-L142 HydrophobicContact SD-CD1 4.32Å; A138-L142 WeakPolarHBondContact O-CG 3.44Å; A138-L142 PolarHBondContact O-N 3.08Å; A138-L142 VanDerWaalsContact O-N 3.07Å; A139-L142 PolarHBondContact O-N 3.38Å; L142-M145 HydrophobicContact CD2-CE 3.94Å; L142-M145 PolarHBondContact O-N 3.03Å; L142-A146 PolarHBondContact O-N 3.28Å; L142-V229 HydrophobicContact CB-CG1 4.03Å; L142-V229 HydrophobicContact CB-CG2 4.42Å; L142-V229 HydrophobicContact CD1-CG2 4.37Å; L142-L240 HydrophobicContact CD1-CB 4.04Å; L142-L240 HydrophobicContact CD1-CD1 4.09Å; L142-L240 HydrophobicContact CD1-CD2 4.05Å; L142-L240 HydrophobicContact CD1-CG 4.27Å
143D93.5Very high94.1Very high41 Ų4113.2 Ų13.222%0.2198%0.082CC..Hα-helixtrans-60.8-54.6175.6-173.5-63.4000110.4N95 N99 A139 C140 M145 A146 T147N95-D143 PolarHBondContact ND2-OD2 2.69Å; N95-D143 VanDerWaalsContact ND2-OD2 3.15Å; N99-D143 PolarHBondContact ND2-OD2 3.47Å; A139-D143 PolarHBondContact O-N 2.91Å; C140-D143 PolarHBondContact O-N 3.36Å; D143-M145 VanDerWaalsContact C-N 3.32Å; D143-M145 PolarHBondContact O-N 3.13Å; D143-A146 CarbonylContact O-C 3.56Å; D143-A146 WeakPolarHBondContact O-CA 3.48Å; D143-A146 WeakPolarHBondContact O-CB 3.44Å; D143-A146 PolarHBondContact O-N 3.48Å; D143-T147 WeakPolarHBondContact O-CB 3.44Å; D143-T147 PolarHBondContact O-N 3Å; D143-T147 PolarHBondContact O-OG1 2.55Å; D143-T147 PolarHBondContact OD1-OG1 3.25Å
144S95.8Very high94.9Very high1 Ų111.2 Ų11.21%0.0076%0.061CC..Hα-helixtrans-58.8-37.7177.8-74.80000113.4C140 T147 L148 S801 D802C140-S144 PolarHBondContact O-N 3.34Å; S144-T147 PolarHBondContact O-N 3.34Å; S144-L148 VanDerWaalsContact O-CB 3.24Å; S144-L148 WeakPolarHBondContact O-CB 3.14Å; S144-L148 WeakPolarHBondContact O-CG 3.47Å; S144-L148 PolarHBondContact O-N 3.25Å; S144-S801 VanDerWaalsContact OG-C 3.24Å; S144-S801 VanDerWaalsContact OG-CB 3.25Å; S144-S801 WeakPolarHBondContact OG-CB 3.19Å; S144-S801 PolarHBondContact OG-OG 3.36Å; S144-D802 WeakPolarHBondContact CA-OD1 3.42Å; S144-D802 WeakPolarHBondContact CB-OD1 3.35Å; S144-D802 PolarHBondContact OG-N 3.47Å; S144-D802 VanDerWaalsContact OG-N 3.17Å; S144-D802 PolarHBondContact OG-OD1 3.48Å
145M98.2Very high95.5Very high0 Ų010 Ų100%06%0.055CC..Hα-helixtrans-66.2-37.4174-77.3-173.3-65.200112.3V80 F141 L142 D143 G149 V150 A152 I805 W813V80-M145 HydrophobicContact CG1-SD 4.1Å; F141-M145 HydrophobicContact CB-CE 4.43Å; F141-M145 VanDerWaalsContact O-CB 3.31Å; F141-M145 WeakPolarHBondContact O-CB 3.28Å; F141-M145 WeakPolarHBondContact O-CE 3.36Å; F141-M145 VanDerWaalsContact O-CG 3.27Å; F141-M145 WeakPolarHBondContact O-CG 3.43Å; F141-M145 PolarHBondContact O-N 3.48Å; L142-M145 HydrophobicContact CD2-CE 3.94Å; L142-M145 PolarHBondContact O-N 3.03Å; D143-M145 VanDerWaalsContact C-N 3.32Å; D143-M145 PolarHBondContact O-N 3.13Å; M145-G149 PolarHBondContact O-N 2.98Å; M145-V150 HydrophobicContact CB-CB 4.07Å; M145-V150 HydrophobicContact CG-CB 4.25Å; M145-V150 HydrophobicContact CG-CG1 4.37Å; M145-V150 WeakPolarHBondContact O-CB 3.16Å; M145-V150 PolarHBondContact O-N 3.38Å; M145-A152 HydrophobicContact CB-CB 3.79Å; M145-A152 HydrophobicContact CE-CB 4.02Å; M145-A152 HydrophobicContact CG-CB 4.16Å; M145-A152 HydrophobicContact SD-CB 3.51Å; M145-A152 VanDerWaalsContact SD-CB 3.51Å; M145-I805 HydrophobicContact CG-CD1 3.83Å; M145-I805 HydrophobicContact CG-CG1 4.12Å; M145-I805 HydrophobicContact CG-CG2 3.69Å; M145-I805 HydrophobicContact SD-CD1 4.32Å; M145-W813 HydrophobicContact CG-CZ3 4.44Å; M145-W813 HydrophobicContact SD-CH2 3.9Å; M145-W813 HydrophobicContact SD-CZ3 3.79Å
146A97.3Very high95.9Very high0 Ų010 Ų100%06%0.055CC..Hα-helixtrans-68.8-44.6173.900000111.9L142 D143 L148 G149 V229 G231 N234 N238L142-A146 PolarHBondContact O-N 3.28Å; D143-A146 CarbonylContact O-C 3.56Å; D143-A146 WeakPolarHBondContact O-CA 3.48Å; D143-A146 WeakPolarHBondContact O-CB 3.44Å; D143-A146 PolarHBondContact O-N 3.48Å; A146-L148 VanDerWaalsContact C-N 3.3Å; A146-L148 PolarHBondContact O-N 3.33Å; A146-G149 PolarHBondContact O-N 3.3Å; A146-G149 VanDerWaalsContact O-N 3.14Å; A146-V229 HydrophobicContact CB-CG1 4.17Å; A146-V229 WeakPolarHBondContact CB-O 3.14Å; A146-G231 VanDerWaalsContact C-CA 3.5Å; A146-N234 PolarHBondContact O-ND2 3.37Å; A146-N238 WeakPolarHBondContact CA-ND2 3.47Å; A146-N238 HydrophobicContact CB-CB 4.17Å; A146-N238 PolarHBondContact N-ND2 3Å
147T95.8Very high96.2Very high4 Ų47.6 Ų7.63%0.0255%0.046CC..Hα-helixtrans-61.5-35.1177.7-65.80000112.4D143 S144 G149 Y232 N234 T494D143-T147 WeakPolarHBondContact O-CB 3.44Å; D143-T147 PolarHBondContact O-N 3Å; D143-T147 PolarHBondContact O-OG1 2.55Å; D143-T147 PolarHBondContact OD1-OG1 3.25Å; S144-T147 PolarHBondContact O-N 3.34Å; T147-G149 VanDerWaalsContact C-N 3.35Å; T147-Y232 PolarHBondContact OG1-N 2.98Å; T147-N234 VanDerWaalsContact C-ND2 3.35Å; T147-N234 WeakPolarHBondContact CA-ND2 3.47Å; T147-N234 PolarHBondContact O-ND2 3.37Å; T147-T494 HydrophobicContact CG2-CG2 4.09Å
148L96.8Very high96.6Very high1 Ų17.7 Ų7.71%0.0054%0.044CC..THydrogen-bonded Turntrans-90.811.9176.8-63.4172.6000114.5S144 A146 V150 D802 I805 K806 T817 T818 L819S144-L148 VanDerWaalsContact O-CB 3.24Å; S144-L148 WeakPolarHBondContact O-CB 3.14Å; S144-L148 WeakPolarHBondContact O-CG 3.47Å; S144-L148 PolarHBondContact O-N 3.25Å; A146-L148 VanDerWaalsContact C-N 3.3Å; A146-L148 PolarHBondContact O-N 3.33Å; L148-V150 HydrophobicContact CB-CG2 3.94Å; L148-V150 PolarHBondContact O-N 2.82Å; L148-V150 VanDerWaalsContact O-N 3.08Å; L148-D802 HydrophobicContact CD1-CB 4.04Å; L148-D802 WeakPolarHBondContact CD1-O 3.34Å; L148-D802 HydrophobicContact CD2-CB 4.44Å; L148-D802 HydrophobicContact CG-CB 4.45Å; L148-I805 HydrophobicContact CD1-CB 3.96Å; L148-I805 HydrophobicContact CD1-CG2 3.69Å; L148-K806 HydrophobicContact CD1-CG 3.93Å; L148-K806 HydrophobicContact CD2-CG 4.46Å; L148-T817 HydrophobicContact CB-CG2 4.2Å; L148-T817 HydrophobicContact CD1-CG2 4.35Å; L148-T818 CarbonylContact C-O 3.25Å; L148-T818 WeakPolarHBondContact CA-O 3.31Å; L148-T818 PolarHBondContact O-N 3.08Å; L148-L819 HydrophobicContact CD2-CD2 3.95Å
149G96.7Very high96.7Very high10 Ų107.7 Ų7.710%0.1034%0.044CC..THydrogen-bonded Turntrans66.96.617700000115.6Y72 M145 A146 T147 P151Y72-G149 PolarHBondContact OH-O 3.47Å; Y72-G149 VanDerWaalsContact OH-O 3.11Å; M145-G149 PolarHBondContact O-N 2.98Å; A146-G149 PolarHBondContact O-N 3.3Å; A146-G149 VanDerWaalsContact O-N 3.14Å; T147-G149 VanDerWaalsContact C-N 3.35Å; G149-P151 WeakPolarHBondContact O-CD 3.38Å
150V98Very high96.7Very high0 Ų010.4 Ų10.40%06%0.056CC..  trans-62.9126.5-174-175.70000109.3Y72 V80 M145 L148 A152 N238 I805 V815 T817Y72-V150 PolarHBondContact OH-O 3.15Å; V80-V150 HydrophobicContact CG2-CG1 3.9Å; M145-V150 HydrophobicContact CB-CB 4.07Å; M145-V150 HydrophobicContact CG-CB 4.25Å; M145-V150 HydrophobicContact CG-CG1 4.37Å; M145-V150 WeakPolarHBondContact O-CB 3.16Å; M145-V150 PolarHBondContact O-N 3.38Å; L148-V150 HydrophobicContact CB-CG2 3.94Å; L148-V150 PolarHBondContact O-N 2.82Å; L148-V150 VanDerWaalsContact O-N 3.08Å; V150-A152 VanDerWaalsContact C-N 3.26Å; V150-A152 HydrophobicContact CG1-CB 4.21Å; V150-A152 PolarHBondContact O-N 2.89Å; V150-N238 PolarHBondContact O-ND2 3.45Å; V150-N238 PolarHBondContact O-OD1 3.02Å; V150-I805 HydrophobicContact CG2-CG2 4.24Å; V150-V815 HydrophobicContact CG1-CG1 4.06Å; V150-T817 HydrophobicContact CG2-CG2 4Å
151P97.6Very high96.7Very high11 Ų1111.9 Ų11.97%0.0716%0.057CC..  trans-68.877.9178.7-20.433.8000112.5Y72 P77 R79 V80 G149Y72-P151 HydrophobicContact CD1-CB 3.91Å; Y72-P151 HydrophobicContact CD1-CG 4Å; Y72-P151 HydrophobicContact CD2-CB 4.34Å; Y72-P151 HydrophobicContact CE1-CB 3.77Å; Y72-P151 HydrophobicContact CE1-CG 3.65Å; Y72-P151 HydrophobicContact CE2-CB 4.2Å; Y72-P151 HydrophobicContact CG-CB 4.2Å; P77-P151 HydrophobicContact CB-CB 4.38Å; P77-P151 HydrophobicContact CB-CG 3.82Å; P77-P151 HydrophobicContact CG-CB 3.68Å; P77-P151 HydrophobicContact CG-CG 3.49Å; P77-P151 VanDerWaalsContact CG-CG 3.49Å; R79-P151 VanDerWaalsContact CA-O 3.27Å; R79-P151 WeakPolarHBondContact CA-O 3.18Å; R79-P151 HydrophobicContact CG-CB 4.16Å; V80-P151 PolarHBondContact N-O 2.85Å; G149-P151 WeakPolarHBondContact O-CD 3.38Å
152A98.2Very high96.1Very high2 Ų211.8 Ų11.82%0.0176%0.057CC..EExtended strand (participates in β ladder)trans-121.3148.4-163.700000113.7V80 M145 V150 N238V80-A152 HydrophobicContact CB-CB 4.24Å; V80-A152 WeakPolarHBondContact O-CA 3.19Å; M145-A152 HydrophobicContact CB-CB 3.79Å; M145-A152 HydrophobicContact CE-CB 4.02Å; M145-A152 HydrophobicContact CG-CB 4.16Å; M145-A152 HydrophobicContact SD-CB 3.51Å; M145-A152 VanDerWaalsContact SD-CB 3.51Å; V150-A152 VanDerWaalsContact C-N 3.26Å; V150-A152 HydrophobicContact CG1-CB 4.21Å; V150-A152 PolarHBondContact O-N 2.89Å; A152-N238 VanDerWaalsContact O-CG 3.28Å; A152-N238 PolarHBondContact O-OD1 2.78Å
153Y98.8Very high95.5Very high10 Ų1012 Ų124%0.0396%0.058CC..EExtended strand (participates in β ladder)trans-133.1125.9176-59.9-101.9000109.6Q69 R79 V80 Y81 Y82 Y155 T239Q69-Y153 PolarHBondContact OE1-OH 3.37Å; R79-Y153 HydrophobicContact CB-CE2 4.5Å; R79-Y153 HydrophobicContact CG-CE2 4.31Å; V80-Y153 PolarHBondContact O-N 3.02Å; Y81-Y153 HydrophobicContact CD1-CD2 4.08Å; Y81-Y153 HydrophobicContact CD1-CG 4.25Å; Y81-Y153 AromaticContact CE1-CD2 3.59Å; Y81-Y153 HydrophobicContact CE1-CD2 3.59Å; Y81-Y153 HydrophobicContact CE1-CE2 4.25Å; Y81-Y153 AromaticContact CE1-CG 3.99Å; Y81-Y153 HydrophobicContact CE1-CG 3.99Å; Y82-Y153 PolarHBondContact N-O 3.33Å; Y153-Y155 HydrophobicContact CG-CE2 4.24Å; Y153-T239 WeakPolarHBondContact CA-O 3.48Å
154G98.8Very high95.4Very high0 Ų011.5 Ų11.50%05%0.054CC..EExtended strand (participates in β ladder)trans-79.4137.9163.600000109.9T239 R241G154-T239 PolarHBondContact N-O 2.85Å; G154-R241 PolarHBondContact O-N 2.74Å
155Y98.9Very high95.2Very high0 Ų015.7 Ų15.70%07%0.072CC..EExtended strand (participates in β ladder)trans-128.6122.5174.3-83.7-95.2000110.6Y81 Y82 S84 F87 Y153 R241 W243 T302 D305 R309Y81-Y155 HydrophobicContact CD1-CD2 4.15Å; Y81-Y155 AromaticContact CD1-CE2 3.62Å; Y81-Y155 HydrophobicContact CD1-CE2 3.62Å; Y81-Y155 HydrophobicContact CE1-CE2 4.08Å; Y82-Y155 PolarHBondContact O-N 2.65Å; S84-Y155 PolarHBondContact N-O 2.84Å; F87-Y155 WeakPolarHBondContact CE2-O 3.36Å; Y153-Y155 HydrophobicContact CG-CE2 4.24Å; Y155-R241 WeakPolarHBondContact CA-O 3.42Å; Y155-R241 HydrophobicContact CD1-CB 4.02Å; Y155-R241 HydrophobicContact CD1-CG 4.02Å; Y155-R241 HydrophobicContact CE1-CB 3.96Å; Y155-R241 VanDerWaalsContact CE1-CD 3.45Å; Y155-R241 HydrophobicContact CE1-CG 3.78Å; Y155-R241 HydrophobicContact CG-CB 4.5Å; Y155-W243 HydrophobicContact CD1-CZ2 4.21Å; Y155-W243 AromaticContact CD1-NE1 3.59Å; Y155-W243 AromaticContact CE1-CZ2 3.8Å; Y155-W243 HydrophobicContact CE1-CZ2 3.8Å; Y155-T302 HydrophobicContact CD1-CG2 3.46Å; Y155-T302 VanDerWaalsContact CD1-CG2 3.46Å; Y155-T302 VanDerWaalsContact CD1-OG1 3.26Å; Y155-T302 WeakPolarHBondContact CD1-OG1 3.16Å; Y155-T302 HydrophobicContact CD2-CG2 3.97Å; Y155-T302 HydrophobicContact CE1-CG2 3.9Å; Y155-T302 HydrophobicContact CE2-CG2 4.4Å; Y155-T302 HydrophobicContact CG-CG2 3.45Å; Y155-T302 VanDerWaalsContact CG-CG2 3.45Å; Y155-D305 HydrophobicContact CE1-CB 4.46Å; Y155-D305 PolarHBondContact OH-OD2 3.12Å; Y155-R309 PolarHBondContact OH-NH1 3.18Å; Y155-R309 PolarHBondContact OH-NH2 2.87Å
156G98.4Very high95.1Very high0 Ų015.7 Ų15.70%07%0.072CC..EExtended strand (participates in β ladder)trans-151.7-165.3-178.700000113.3S84 R241 L242 W243S84-G156 VanDerWaalsContact O-CA 3.23Å; S84-G156 WeakPolarHBondContact O-CA 3.1Å; G156-R241 PolarHBondContact N-O 3.46Å; G156-L242 WeakPolarHBondContact O-CA 3.28Å; G156-W243 PolarHBondContact O-N 2.94Å
157L97.7Very high95.1Very high3 Ų316.1 Ų16.12%0.0168%0.076CC..EExtended strand (participates in β ladder)trans-107.5140.8177.8-60.4-173.5000111.4Y159 W243 T275 Q294 F297 L298L157-Y159 HydrophobicContact CB-CD1 4.48Å; L157-Y159 HydrophobicContact CB-CD2 4.29Å; L157-Y159 HydrophobicContact CB-CE1 4.07Å; L157-Y159 HydrophobicContact CB-CE2 3.85Å; L157-Y159 HydrophobicContact CD1-CE1 4Å; L157-Y159 WeakPolarHBondContact O-CD2 3.25Å; L157-Y159 PolarHBondContact O-N 2.92Å; L157-W243 HydrophobicContact CD2-CB 4.11Å; L157-T275 HydrophobicContact CB-CG2 4.39Å; L157-T275 HydrophobicContact CD1-CG2 4.47Å; L157-T275 HydrophobicContact CD2-CG2 4.33Å; L157-Q294 HydrophobicContact CD1-CB 3.85Å; L157-Q294 HydrophobicContact CD1-CG 3.98Å; L157-F297 HydrophobicContact CD2-CD1 3.76Å; L157-F297 HydrophobicContact CD2-CE1 4.31Å; L157-L298 HydrophobicContact CD2-CB 3.86Å; L157-L298 HydrophobicContact CD2-CD1 4.36Å; L157-L298 HydrophobicContact CG-CB 4.3Å
158R97.6Very high95.1Very high31 Ų3117.7 Ų17.712%0.1178%0.084CC..  trans-87.378.8172.9-170.9-180172.1-81.812.6109E160 E188 L242 W243R158-E160 PolarHBondContact O-N 3.32Å; R158-E188 IonicContact CZ-OE1 2.75Å; R158-E188 IonicContact CZ-OE2 2.72Å; R158-E188 IonicContact NE-OE1 3.5Å; R158-E188 PolarHBondContact NE-OE1 3.37Å; R158-E188 IonicContact NE-OE2 2.72Å; R158-E188 PolarHBondContact NE-OE2 3.2Å; R158-E188 IonicContact NH2-OE1 3.64Å; R158-E188 PolarHBondContact NH2-OE1 2.88Å; R158-E188 IonicContact NH2-OE2 3.41Å; R158-L242 HydrophobicContact CB-CB 3.74Å; R158-W243 PolarHBondContact N-O 2.94Å
159Y95.8Very high95Very high1 Ų122.6 Ų22.60%0.00411%0.105CC..  trans-61.7130.1175.2-57.4-76.7000110.8L85 L129 L157 Y161 W180 T275 V277 L278L85-Y159 WeakPolarHBondContact O-CE2 3.39Å; L85-Y159 PolarHBondContact O-OH 3.26Å; L129-Y159 HydrophobicContact CD2-CD2 4.06Å; L129-Y159 HydrophobicContact CD2-CG 4.45Å; L157-Y159 HydrophobicContact CB-CD1 4.48Å; L157-Y159 HydrophobicContact CB-CD2 4.29Å; L157-Y159 HydrophobicContact CB-CE1 4.07Å; L157-Y159 HydrophobicContact CB-CE2 3.85Å; L157-Y159 HydrophobicContact CD1-CE1 4Å; L157-Y159 WeakPolarHBondContact O-CD2 3.25Å; L157-Y159 PolarHBondContact O-N 2.92Å; Y159-Y161 WeakPolarHBondContact CB-O 3.5Å; Y159-W180 PolarHBondContact O-NE1 2.63Å; Y159-T275 CarbonylContact C-O 3.54Å; Y159-T275 WeakPolarHBondContact CA-O 3.39Å; Y159-V277 VanDerWaalsContact CD1-C 3.46Å; Y159-V277 WeakPolarHBondContact CD1-O 3.33Å; Y159-L278 HydrophobicContact CD1-CB 4.25Å; Y159-L278 HydrophobicContact CD2-CB 4.09Å; Y159-L278 HydrophobicContact CD2-CD1 4.06Å; Y159-L278 HydrophobicContact CE1-CB 4.43Å; Y159-L278 HydrophobicContact CE1-CD1 4.4Å; Y159-L278 HydrophobicContact CE2-CB 4.29Å; Y159-L278 HydrophobicContact CE2-CD1 3.48Å; Y159-L278 VanDerWaalsContact CE2-CD1 3.48Å; Y159-L278 HydrophobicContact CE2-CG 4.42Å; Y159-L278 HydrophobicContact CG-CB 4.06Å
160E93.7Very high94.7Very high61 Ų6125.6 Ų25.629%0.28514%0.135SC..SBendtrans-63.9-44.2176.3-164.7176.1126.700111R158 W180 T275 R276R158-E160 PolarHBondContact O-N 3.32Å; E160-W180 PolarHBondContact O-NE1 3.25Å; E160-T275 PolarHBondContact N-O 3.38Å; E160-R276 PolarHBondContact N-O 3.42Å; E160-R276 IonicContact OE1-NH1 3.25Å; E160-R276 WeakPolarHBondContact OE2-CD 3.43Å; E160-R276 IonicContact OE2-CZ 3.58Å; E160-R276 IonicContact OE2-NE 3.85Å; E160-R276 IonicContact OE2-NH1 2.67Å; E160-R276 PolarHBondContact OE2-NH1 3.2Å
161Y91.3Very high94.5Very high65 Ų6526 Ų2626%0.25514%0.14SC..BIsolated β-bridgetrans-111.4128.6169.5-52.4-82.3000109.8Y159 P177 D178 D179 R276Y159-Y161 WeakPolarHBondContact CB-O 3.5Å; Y161-P177 HydrophobicContact CD1-CB 3.63Å; Y161-P177 HydrophobicContact CE1-CB 3.89Å; Y161-P177 HydrophobicContact CG-CB 4.36Å; Y161-D178 WeakPolarHBondContact CA-O 3.24Å; Y161-D179 HydrophobicContact CD1-CB 4.13Å; Y161-D179 HydrophobicContact CE1-CB 3.93Å; Y161-R276 HydrophobicContact CD2-CG 4.08Å; Y161-R276 WeakPolarHBondContact CD2-O 3.48Å; Y161-R276 HydrophobicContact CE2-CG 4.1Å; Y161-R276 PolarHBondContact N-O 2.82Å
162G82.7Confident94.4Very high1 Ų129.4 Ų29.41%0.0116%0.156CC..  trans-73.3-156.2176.500000113.5G128 F164 D178G128-G162 CarbonylContact O-C 3.59Å; G128-G162 WeakPolarHBondContact O-CA 3.37Å; G162-F164 PolarHBondContact O-N 3.07Å; G162-D178 VanDerWaalsContact CA-OD2 3.31Å; G162-D178 WeakPolarHBondContact CA-OD2 3.44Å; G162-D178 PolarHBondContact N-O 3.06Å
163I84.2Confident94.3Very high9 Ų929.8 Ų29.85%0.04616%0.157CC..SBendtrans-64.4110.1168.5-179.8171.5000109.4Y88 G128 G130 N131 L278 K589Y88-I163 HydrophobicContact CE1-CG2 4.25Å; G128-I163 PolarHBondContact O-N 2.8Å; G130-I163 WeakPolarHBondContact O-CG2 3.33Å; N131-I163 HydrophobicContact CB-CD1 4.12Å; N131-I163 WeakPolarHBondContact OD1-CB 3.19Å; N131-I163 WeakPolarHBondContact OD1-CD1 3.32Å; N131-I163 WeakPolarHBondContact OD1-CG1 3.33Å; I163-L278 HydrophobicContact CB-CD2 4.11Å; I163-K589 HydrophobicContact CD1-CB 4.21Å; I163-K589 HydrophobicContact CD1-CD 3.54Å; I163-K589 HydrophobicContact CD1-CG 4.41Å; I163-K589 HydrophobicContact CG1-CD 3.71Å; I163-K589 PolarHBondContact O-NZ 2.82Å
164F90.8Very high94.2Very high31 Ų3131.6 Ų31.614%0.13617%0.169CC..  trans-24.8132.3-178.370.6-92.9000114.3G162 Q166 Q173 E175 E176 K589 A590 P592G162-F164 PolarHBondContact O-N 3.07Å; F164-Q166 HydrophobicContact CE2-CB 4.11Å; F164-Q166 PolarHBondContact O-N 3.39Å; F164-Q173 HydrophobicContact CE2-CG 4.41Å; F164-E175 HydrophobicContact CB-CB 4.3Å; F164-E175 HydrophobicContact CB-CG 4.46Å; F164-E175 HydrophobicContact CD1-CG 4.21Å; F164-E175 HydrophobicContact CD2-CB 3.93Å; F164-E175 HydrophobicContact CD2-CG 3.61Å; F164-E175 HydrophobicContact CE1-CG 4.39Å; F164-E175 HydrophobicContact CE2-CG 3.84Å; F164-E175 HydrophobicContact CG-CB 4.15Å; F164-E175 HydrophobicContact CG-CG 3.83Å; F164-E175 HydrophobicContact CZ-CG 4.22Å; F164-E176 CarbonylContact C-O 3.6Å; F164-E176 WeakPolarHBondContact CA-O 3.5Å; F164-E176 WeakPolarHBondContact CB-O 3.37Å; F164-K589 HydrophobicContact CE1-CB 4.49Å; F164-K589 HydrophobicContact CE2-CB 4.37Å; F164-K589 HydrophobicContact CE2-CD 4.2Å; F164-K589 HydrophobicContact CE2-CG 4.4Å; F164-K589 HydrophobicContact CZ-CB 3.8Å; F164-K589 HydrophobicContact CZ-CD 4.18Å; F164-K589 HydrophobicContact CZ-CG 4.28Å; F164-K589 WeakPolarHBondContact O-CE 3.46Å; F164-K589 PolarHBondContact O-NZ 3.21Å; F164-A590 VanDerWaalsContact CZ-O 3.26Å; F164-A590 WeakPolarHBondContact CZ-O 3.38Å; F164-P592 HydrophobicContact CD1-CG 4.19Å; F164-P592 HydrophobicContact CE1-CG 3.98Å
165K92.8Very high93.9Very high90 Ų9034.6 Ų34.639%0.39118%0.183SC..EExtended strand (participates in β ladder)trans-62.5121.4171.8-178.5-175176.1-159.60108.1E176K165-E176 HydrophobicContact CB-CB 4.12Å; K165-E176 PolarHBondContact N-O 3.33Å; K165-E176 IonicContact NZ-OE2 3.58Å; K165-E176 PolarHBondContact O-N 3.43Å
166Q95.4Very high93.7Very high0 Ų037.3 Ų37.30%020%0.196CC..EExtended strand (participates in β ladder)trans-85.3124.5178.4-176.9-169.544.700108.5F164 I168 Q173 G588 K589 Y625 E627 N628F164-Q166 HydrophobicContact CE2-CB 4.11Å; F164-Q166 PolarHBondContact O-N 3.39Å; Q166-I168 HydrophobicContact CG-CD1 4.44Å; Q166-Q173 HydrophobicContact CG-CG 4.04Å; Q166-G588 PolarHBondContact NE2-O 3.03Å; Q166-G588 VanDerWaalsContact NE2-O 3.16Å; Q166-K589 HydrophobicContact CB-CD 4.32Å; Q166-K589 HydrophobicContact CB-CG 4.06Å; Q166-Y625 PolarHBondContact NE2-OH 3.46Å; Q166-E627 WeakPolarHBondContact O-CG 3.3Å; Q166-N628 HydrophobicContact CB-CB 4.33Å; Q166-N628 PolarHBondContact N-OD1 3.31Å; Q166-N628 VanDerWaalsContact N-OD1 3.17Å; Q166-N628 WeakPolarHBondContact O-CB 3.19Å
167A96.4Very high93.3Very high8 Ų841.7 Ų41.77%0.06622%0.224CC..EExtended strand (participates in β ladder)trans-116.4144.6167.800000109.7V174 E176A167-V174 PolarHBondContact N-O 3.28Å; A167-V174 PolarHBondContact O-N 2.87Å; A167-E176 HydrophobicContact CB-CG 4.43Å
168I96.2Very high93Very high38 Ų3842.8 Ų42.820%0.19523%0.23CC..EExtended strand (participates in β ladder)trans-101.5115.4174.6-57.9-56.1000109.6Q166 M172 Q173 I601 Y625 E627Q166-I168 HydrophobicContact CG-CD1 4.44Å; I168-M172 WeakPolarHBondContact CA-O 3.43Å; I168-Q173 HydrophobicContact CD1-CB 4.48Å; I168-I601 HydrophobicContact CD1-CG2 3.87Å; I168-Y625 HydrophobicContact CD1-CD1 4.02Å; I168-Y625 HydrophobicContact CD1-CE1 3.66Å; I168-Y625 HydrophobicContact CG1-CD1 3.91Å; I168-Y625 HydrophobicContact CG1-CE1 3.98Å; I168-E627 WeakPolarHBondContact CB-OE2 3.28Å; I168-E627 HydrophobicContact CG1-CB 4.23Å; I168-E627 HydrophobicContact CG1-CG 4.19Å; I168-E627 WeakPolarHBondContact CG1-OE2 3.26Å; I168-E627 PolarHBondContact N-OE2 3.12Å
169K95.6Very high92.7Very high104 Ų10444.3 Ų44.345%0.45224%0.241SC..EExtended strand (participates in β ladder)trans-128117.2-179-58-176.2-172.3171.80109G171 M172 V174 E176K169-G171 VanDerWaalsContact C-N 3.27Å; K169-G171 PolarHBondContact O-N 2.95Å; K169-M172 PolarHBondContact N-O 3.09Å; K169-M172 PolarHBondContact O-N 3.45Å; K169-V174 HydrophobicContact CB-CG2 3.97Å; K169-V174 HydrophobicContact CD-CB 4.34Å; K169-V174 HydrophobicContact CD-CG2 4.08Å; K169-V174 HydrophobicContact CG-CG2 4.15Å; K169-E176 WeakPolarHBondContact CE-OE1 3.3Å; K169-E176 IonicContact NZ-OE1 3.16Å; K169-E176 PolarHBondContact NZ-OE1 3.06Å
170G90.9Very high92.6Very high72 Ų7245.2 Ų45.274%0.74224%0.244SC*.THydrogen-bonded Turntrans58.437.6-17300000113.3M172G170-M172 PolarHBondContact O-N 3.21Å; G170-M172 VanDerWaalsContact O-N 3.16Å
171G92.6Very high92.7Very high9 Ų943.3 Ų43.39%0.09324%0.236CC..THydrogen-bonded Turntrans73.1-9.1-173.900000115.5K169 R602 N605K169-G171 VanDerWaalsContact C-N 3.27Å; K169-G171 PolarHBondContact O-N 2.95Å; G171-R602 WeakPolarHBondContact O-CA 3.4Å; G171-N605 PolarHBondContact O-ND2 2.89Å
172M95.3Very high92.9Very high82 Ų8248.6 Ų48.640%0.40426%0.255SS..EExtended strand (participates in β ladder)trans-91.8144.1-179.1-62.1-168.8-6300112.2I168 K169 G170 V174 R602I168-M172 WeakPolarHBondContact CA-O 3.43Å; K169-M172 PolarHBondContact N-O 3.09Å; K169-M172 PolarHBondContact O-N 3.45Å; G170-M172 PolarHBondContact O-N 3.21Å; G170-M172 VanDerWaalsContact O-N 3.16Å; M172-V174 PolarHBondContact O-N 3.39Å; M172-R602 HydrophobicContact CG-CB 4.35Å; M172-R602 HydrophobicContact CG-CG 3.78Å; M172-R602 VanDerWaalsContact SD-CZ 3.51Å
173Q97.3Very high93.5Very high10 Ų1053.4 Ų53.45%0.04728%0.276CS..EExtended strand (participates in β ladder)trans-63.9128.1164.5167.8173-58.100110.5F164 Q166 I168 E175 A590 I601F164-Q173 HydrophobicContact CE2-CG 4.41Å; Q166-Q173 HydrophobicContact CG-CG 4.04Å; I168-Q173 HydrophobicContact CD1-CB 4.48Å; Q173-E175 PolarHBondContact NE2-OE1 2.77Å; Q173-A590 PolarHBondContact NE2-O 3.46Å; Q173-I601 HydrophobicContact CB-CD1 3.87Å; Q173-I601 HydrophobicContact CB-CG2 4.31Å; Q173-I601 HydrophobicContact CG-CD1 4.5Å
174V96Very high94.1Very high49 Ų4954.9 Ų54.930%0.29729%0.293SS..EExtended strand (participates in β ladder)trans-116135.5165.6177.50000108.4A167 K169 M172A167-V174 PolarHBondContact N-O 3.28Å; A167-V174 PolarHBondContact O-N 2.87Å; K169-V174 HydrophobicContact CB-CG2 3.97Å; K169-V174 HydrophobicContact CD-CB 4.34Å; K169-V174 HydrophobicContact CD-CG2 4.08Å; K169-V174 HydrophobicContact CG-CG2 4.15Å; M172-V174 PolarHBondContact O-N 3.39Å
175E93.2Very high94.4Very high63 Ų6354.7 Ų54.729%0.29429%0.294SS..EExtended strand (participates in β ladder)trans-83.6121.2173-67.272.6-144.400110.8F164 Q173 P592 K598F164-E175 HydrophobicContact CB-CB 4.3Å; F164-E175 HydrophobicContact CB-CG 4.46Å; F164-E175 HydrophobicContact CD1-CG 4.21Å; F164-E175 HydrophobicContact CD2-CB 3.93Å; F164-E175 HydrophobicContact CD2-CG 3.61Å; F164-E175 HydrophobicContact CE1-CG 4.39Å; F164-E175 HydrophobicContact CE2-CG 3.84Å; F164-E175 HydrophobicContact CG-CB 4.15Å; F164-E175 HydrophobicContact CG-CG 3.83Å; F164-E175 HydrophobicContact CZ-CG 4.22Å; Q173-E175 PolarHBondContact NE2-OE1 2.77Å; E175-P592 HydrophobicContact CG-CB 4.08Å; E175-P592 HydrophobicContact CG-CG 3.93Å; E175-K598 WeakPolarHBondContact OE1-CE 3.4Å; E175-K598 IonicContact OE1-NZ 2.71Å; E175-K598 PolarHBondContact OE1-NZ 2.93Å; E175-K598 IonicContact OE2-NZ 3.92Å; E175-K598 PolarHBondContact OE2-NZ 3.23Å
176E93.4Very high94.6Very high56 Ų5650.8 Ų50.826%0.26228%0.278SS..EExtended strand (participates in β ladder)trans-112.6149.9167.9-66.5-176171.100110F164 K165 A167 K169 D178F164-E176 CarbonylContact C-O 3.6Å; F164-E176 WeakPolarHBondContact CA-O 3.5Å; F164-E176 WeakPolarHBondContact CB-O 3.37Å; K165-E176 HydrophobicContact CB-CB 4.12Å; K165-E176 PolarHBondContact N-O 3.33Å; K165-E176 IonicContact NZ-OE2 3.58Å; K165-E176 PolarHBondContact O-N 3.43Å; A167-E176 HydrophobicContact CB-CG 4.43Å; K169-E176 WeakPolarHBondContact CE-OE1 3.3Å; K169-E176 IonicContact NZ-OE1 3.16Å; K169-E176 PolarHBondContact NZ-OE1 3.06Å; E176-D178 PolarHBondContact O-N 2.82Å
177P91Very high94.7Very high92 Ų9251 Ų5160%0.59728%0.279SS*.  trans-63.3134.6177.625.1-33.3000111.8Y161 D179Y161-P177 HydrophobicContact CD1-CB 3.63Å; Y161-P177 HydrophobicContact CE1-CB 3.89Å; Y161-P177 HydrophobicContact CG-CB 4.36Å; P177-D179 PolarHBondContact O-N 2.98Å
178D90.3Very high94.8Very high26 Ų2651.9 Ų51.914%0.13928%0.281CS..  trans-89.771.9178.3-17048.5000109.9Y161 G162 E176 W180Y161-D178 WeakPolarHBondContact CA-O 3.24Å; G162-D178 VanDerWaalsContact CA-OD2 3.31Å; G162-D178 WeakPolarHBondContact CA-OD2 3.44Å; G162-D178 PolarHBondContact N-O 3.06Å; E176-D178 PolarHBondContact O-N 2.82Å; D178-W180 PolarHBondContact O-N 3.22Å
179D91.4Very high94.9Very high63 Ų6354 Ų5434%0.33729%0.289SS..  trans-75.755.4-173.4-171.312.8000112.7Y161 P177 L181 R182Y161-D179 HydrophobicContact CD1-CB 4.13Å; Y161-D179 HydrophobicContact CE1-CB 3.93Å; P177-D179 PolarHBondContact O-N 2.98Å; D179-L181 PolarHBondContact O-N 2.83Å; D179-L181 VanDerWaalsContact O-N 3.14Å; D179-R182 WeakPolarHBondContact O-CB 3.37Å; D179-R182 PolarHBondContact O-N 3.33Å; D179-R182 PolarHBondContact OD1-N 2.91Å; D179-R182 WeakPolarHBondContact OD2-CB 3.03Å; D179-R182 WeakPolarHBondContact OD2-CD 3.19Å; D179-R182 WeakPolarHBondContact OD2-CG 3.46Å
180W95Very high95Very high20 Ų2050.5 Ų50.58%0.07628%0.279CS..THydrogen-bonded Turntrans-63.9-16-176.375.3-71.8000113.7E125 A127 L129 Y159 E160 D178 N185E125-W180 HydrophobicContact CB-CB 4.36Å; A127-W180 HydrophobicContact CB-CE3 4.01Å; A127-W180 HydrophobicContact CB-CZ3 3.85Å; L129-W180 HydrophobicContact CD1-CH2 4.12Å; L129-W180 HydrophobicContact CD1-CZ2 3.95Å; L129-W180 HydrophobicContact CD2-CZ2 3.74Å; L129-W180 HydrophobicContact CG-CZ2 4.12Å; Y159-W180 PolarHBondContact O-NE1 2.63Å; E160-W180 PolarHBondContact O-NE1 3.25Å; D178-W180 PolarHBondContact O-N 3.22Å; W180-N185 HydrophobicContact CZ3-CB 4.13Å
181L96.1Very high95.3Very high22 Ų2250.2 Ų50.212%0.11526%0.256CS..THydrogen-bonded Turntrans-97.8-5.1-179-71.6168.9000114.3D179 F183 G184 N185D179-L181 PolarHBondContact O-N 2.83Å; D179-L181 VanDerWaalsContact O-N 3.14Å; L181-F183 PolarHBondContact O-N 3.03Å; L181-G184 PolarHBondContact O-N 2.65Å; L181-N185 HydrophobicContact CD2-CB 3.7Å
182R95Very high95.5Very high176 Ų17653.2 Ų53.266%0.66427%0.273SS*.THydrogen-bonded Turntrans-48.2-39.9-175-167.6176170.5177.4-2115.2D179D179-R182 WeakPolarHBondContact O-CB 3.37Å; D179-R182 PolarHBondContact O-N 3.33Å; D179-R182 PolarHBondContact OD1-N 2.91Å; D179-R182 WeakPolarHBondContact OD2-CB 3.03Å; D179-R182 WeakPolarHBondContact OD2-CD 3.19Å; D179-R182 WeakPolarHBondContact OD2-CG 3.46Å
183F95.2Very high95.6Very high102 Ų10254 Ų5445%0.44728%0.276SS..THydrogen-bonded Turntrans-101.75-177.5-56.7-71.2000112.8F51 L181F51-F183 HydrophobicContact CE2-CB 4.02Å; F51-F183 HydrophobicContact CZ-CB 3.95Å; F51-F183 WeakPolarHBondContact CZ-O 3.5Å; L181-F183 PolarHBondContact O-N 3.03Å
184G95.5Very high95.5Very high39 Ų3957.7 Ų57.740%0.40229%0.29SS..  trans84.5150.8-169.900000113.2F51 L181F51-G184 WeakPolarHBondContact CZ-O 3.41Å; L181-G184 PolarHBondContact O-N 2.65Å
185N97.3Very high95.5Very high27 Ų2758.8 Ų58.814%0.14429%0.293CS..  trans-101.7117.6170.8168.513.2000108.2W180 L181 W187 E188W180-N185 HydrophobicContact CZ3-CB 4.13Å; L181-N185 HydrophobicContact CD2-CB 3.7Å; N185-W187 VanDerWaalsContact C-N 3.3Å; N185-W187 PolarHBondContact O-N 2.91Å; N185-W187 WeakPolarHBondContact OD1-CB 3.45Å; N185-W187 PolarHBondContact OD1-N 3.07Å; N185-E188 HydrophobicContact CB-CG 3.94Å; N185-E188 WeakPolarHBondContact ND2-CB 3.38Å; N185-E188 WeakPolarHBondContact ND2-CG 3.32Å; N185-E188 PolarHBondContact ND2-OE2 2.87Å
186P97.5Very high95.7Very high9 Ų956.9 Ų56.96%0.05829%0.285CS..SBendtrans-74-23.1-176.929.1-31000112.5F51 A54 R58F51-P186 HydrophobicContact CD1-CB 4.09Å; F51-P186 HydrophobicContact CD1-CG 4.18Å; F51-P186 HydrophobicContact CE1-CB 4.26Å; F51-P186 HydrophobicContact CE1-CG 4.12Å; A54-P186 HydrophobicContact CB-CB 4.02Å; A54-P186 HydrophobicContact CB-CG 3.7Å; R58-P186 WeakPolarHBondContact CD-O 3.4Å; R58-P186 PolarHBondContact NE-O 3.44Å
187W98.1Very high95.8Very high5 Ų556.9 Ų56.92%0.01929%0.289CS..SBendtrans-79.3-32.9-170.2-53.9111000113.6A54 V57 R58 L61 T92 L93 T96 E124 N185 T227 P228A54-W187 HydrophobicContact CB-CH2 4.05Å; A54-W187 HydrophobicContact CB-CZ2 3.75Å; V57-W187 HydrophobicContact CB-CH2 4.28Å; V57-W187 HydrophobicContact CG1-CH2 4.02Å; V57-W187 HydrophobicContact CG1-CZ3 4.18Å; R58-W187 HydrophobicContact CB-CE3 4.25Å; R58-W187 HydrophobicContact CB-CZ3 4Å; L61-W187 HydrophobicContact CD1-CZ3 4.48Å; T92-W187 HydrophobicContact CG2-CD2 3.73Å; T92-W187 HydrophobicContact CG2-CE3 4.14Å; T92-W187 HydrophobicContact CG2-CG 3.86Å; L93-W187 HydrophobicContact CB-CH2 4.4Å; L93-W187 HydrophobicContact CB-CZ2 3.83Å; L93-W187 HydrophobicContact CD1-CH2 3.89Å; L93-W187 HydrophobicContact CD1-CZ2 4.05Å; T96-W187 HydrophobicContact CG2-CZ3 4.39Å; E124-W187 PolarHBondContact OE1-NE1 3.16Å; N185-W187 VanDerWaalsContact C-N 3.3Å; N185-W187 PolarHBondContact O-N 2.91Å; N185-W187 WeakPolarHBondContact OD1-CB 3.45Å; N185-W187 PolarHBondContact OD1-N 3.07Å; W187-T227 HydrophobicContact CB-CG2 4.31Å; W187-P228 VanDerWaalsContact O-CD 3.27Å; W187-P228 WeakPolarHBondContact O-CD 3.28Å
188E97.8Very high96.1Very high25 Ų2552.6 Ų52.612%0.11726%0.262CS..  trans-73.6159.7-177.364.2-176.6-143.900113.7R158 N185 Y225 D226R158-E188 IonicContact CZ-OE1 2.75Å; R158-E188 IonicContact CZ-OE2 2.72Å; R158-E188 IonicContact NE-OE1 3.5Å; R158-E188 PolarHBondContact NE-OE1 3.37Å; R158-E188 IonicContact NE-OE2 2.72Å; R158-E188 PolarHBondContact NE-OE2 3.2Å; R158-E188 IonicContact NH2-OE1 3.64Å; R158-E188 PolarHBondContact NH2-OE1 2.88Å; R158-E188 IonicContact NH2-OE2 3.41Å; N185-E188 HydrophobicContact CB-CG 3.94Å; N185-E188 WeakPolarHBondContact ND2-CB 3.38Å; N185-E188 WeakPolarHBondContact ND2-CG 3.32Å; N185-E188 PolarHBondContact ND2-OE2 2.87Å; E188-Y225 HydrophobicContact CB-CD1 4.3Å; E188-Y225 VanDerWaalsContact CD-CD1 3.48Å; E188-Y225 HydrophobicContact CG-CD1 4.06Å; E188-Y225 VanDerWaalsContact OE1-CD1 3.26Å; E188-Y225 WeakPolarHBondContact OE1-CD1 3.23Å; E188-Y225 WeakPolarHBondContact OE1-CE1 3.38Å; E188-D226 CarbonylContact C-O 3.56Å; E188-D226 WeakPolarHBondContact CA-O 3.49Å
189K98Very high96.4Very high84 Ų8453.5 Ų53.537%0.36527%0.267SS..EExtended strand (participates in β ladder)trans-132.7110.9165.1179.664.3-177.579.40109.5D226K189-D226 PolarHBondContact N-O 3.39Å; K189-D226 PolarHBondContact O-N 3.24Å
190A98.1Very high96.6Very high29 Ų2950.5 Ų50.524%0.2425%0.251CS..EExtended strand (participates in β ladder)trans-57.4140.9168.600000111.1P192 Y225A190-P192 VanDerWaalsContact C-CD 3.49Å; A190-Y225 HydrophobicContact CB-CD1 3.88Å; A190-Y225 HydrophobicContact CB-CE1 3.65Å; A190-Y225 HydrophobicContact CB-CG 4.48Å
191R98Very high96.7Very high66 Ų6652.3 Ų52.325%0.24926%0.258CS..  trans-127.662.1-176.9-69.3-66-174-170.9-5112.2E193 Y194 P224 D226R191-E193 WeakPolarHBondContact CA-OE2 3.21Å; R191-E193 WeakPolarHBondContact CD-OE1 3.4Å; R191-E193 IonicContact CZ-OE1 3.9Å; R191-E193 IonicContact NE-OE1 3.43Å; R191-E193 IonicContact NH1-OE1 3.68Å; R191-E193 PolarHBondContact NH1-OE1 3.18Å; R191-E193 PolarHBondContact O-N 3.2Å; R191-E193 VanDerWaalsContact O-N 3.09Å; R191-Y194 HydrophobicContact CB-CD2 4.12Å; R191-Y194 HydrophobicContact CG-CD2 4.42Å; R191-Y194 PolarHBondContact O-N 3.14Å; R191-P224 HydrophobicContact CB-CB 4.24Å; R191-P224 HydrophobicContact CB-CG 3.84Å; R191-P224 WeakPolarHBondContact CB-O 3.41Å; R191-P224 PolarHBondContact N-O 3.18Å; R191-P224 WeakPolarHBondContact O-CD 3.06Å; R191-D226 HydrophobicContact CG-CB 4.5Å; R191-D226 WeakPolarHBondContact CG-OD2 3.5Å; R191-D226 IonicContact NE-OD2 3.97Å; R191-D226 PolarHBondContact NE-OD2 2.87Å; R191-D226 VanDerWaalsContact NE-OD2 3.1Å
192P96.4Very high96.8Very high72 Ų7252.7 Ų52.747%0.46827%0.267SS..G310 helixtrans-57.4-24.1177.626.7-35.7000112.8A190 Y194 M195 M223A190-P192 VanDerWaalsContact C-CD 3.49Å; P192-Y194 PolarHBondContact O-N 3.17Å; P192-Y194 VanDerWaalsContact O-N 3.14Å; P192-M195 HydrophobicContact CB-CE 4.43Å; P192-M195 PolarHBondContact O-N 3.41Å; P192-M223 HydrophobicContact CB-SD 4.1Å
193E96.4Very high96.9Very high99 Ų9950.4 Ų50.446%0.46326%0.258SS..G310 helixtrans-64.3-10.8173.870.3-90.5-150.100114.8R191R191-E193 WeakPolarHBondContact CA-OE2 3.21Å; R191-E193 WeakPolarHBondContact CD-OE1 3.4Å; R191-E193 IonicContact CZ-OE1 3.9Å; R191-E193 IonicContact NE-OE1 3.43Å; R191-E193 IonicContact NH1-OE1 3.68Å; R191-E193 PolarHBondContact NH1-OE1 3.18Å; R191-E193 PolarHBondContact O-N 3.2Å; R191-E193 VanDerWaalsContact O-N 3.09Å
194Y96.5Very high97Very high88 Ų8847.3 Ų47.335%0.34525%0.247SC..G310 helixtrans-125.730.3176.3-55.7-50.8000112.5R191 P192 P224R191-Y194 HydrophobicContact CB-CD2 4.12Å; R191-Y194 HydrophobicContact CG-CD2 4.42Å; R191-Y194 PolarHBondContact O-N 3.14Å; P192-Y194 PolarHBondContact O-N 3.17Å; P192-Y194 VanDerWaalsContact O-N 3.14Å; Y194-P224 WeakPolarHBondContact O-CD 3.27Å; Y194-P224 WeakPolarHBondContact O-CG 3.49Å
195M96Very high97.1Very high72 Ų7248.7 Ų48.736%0.35525%0.245SC..  trans-66137.9173.1-163.2-179.5-5900110.9P192 F221 A222 M223P192-M195 HydrophobicContact CB-CE 4.43Å; P192-M195 PolarHBondContact O-N 3.41Å; M195-F221 HydrophobicContact CG-CB 3.97Å; M195-F221 HydrophobicContact CG-CD1 4.12Å; M195-F221 HydrophobicContact CG-CG 4.47Å; M195-F221 HydrophobicContact SD-CB 3.76Å; M195-F221 HydrophobicContact SD-CD1 4.08Å; M195-F221 HydrophobicContact SD-CG 4.12Å; M195-A222 WeakPolarHBondContact CA-O 3.35Å; M195-M223 HydrophobicContact CE-CB 4.09Å; M195-M223 HydrophobicContact CE-CG 3.99Å; M195-M223 HydrophobicContact CE-SD 3.72Å; M195-M223 HydrophobicContact CG-CB 4.35Å
196L96.9Very high97Very high22 Ų2253.6 Ų53.612%0.11527%0.265CS..EExtended strand (participates in β ladder)trans-126.5143.9-174.3-67.5171.7000112.5F221 A222 W243 A301 Q304 D305L196-F221 CarbonylContact O-C 3.45Å; L196-F221 WeakPolarHBondContact O-CA 3.47Å; L196-A222 PolarHBondContact N-O 3.23Å; L196-A222 PolarHBondContact O-N 3.27Å; L196-W243 HydrophobicContact CD1-CH2 3.69Å; L196-W243 HydrophobicContact CD1-CZ2 4.48Å; L196-W243 HydrophobicContact CD1-CZ3 4.2Å; L196-A301 WeakPolarHBondContact CD1-O 3.29Å; L196-Q304 HydrophobicContact CD1-CB 3.87Å; L196-D305 HydrophobicContact CD1-CB 4.03Å
197P96.4Very high96.7Very high56 Ų5655.2 Ų55.236%0.36427%0.273SS..EExtended strand (participates in β ladder)trans-74.7144174.531.8-34.6000111.8L219 L220 F221 Q304P197-L219 HydrophobicContact CB-CD1 3.66Å; P197-L220 CarbonylContact C-O 3.37Å; P197-F221 HydrophobicContact CB-CE1 4.42Å; P197-Q304 PolarHBondContact O-NE2 3.16Å
198I97.2Very high96.4Very high2 Ų264.7 Ų64.71%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-135.8126.7177.8-49.2-67.2000108.3F200 L220 A222 Y296 F297 A300 A301I198-F200 HydrophobicContact CB-CE2 4.48Å; I198-F200 HydrophobicContact CG2-CD2 4.38Å; I198-F200 HydrophobicContact CG2-CE2 3.65Å; I198-F200 HydrophobicContact CG2-CZ 4.04Å; I198-L220 HydrophobicContact CB-CB 4.38Å; I198-L220 PolarHBondContact N-O 3.05Å; I198-L220 PolarHBondContact O-N 2.75Å; I198-A222 HydrophobicContact CD1-CB 4.15Å; I198-A222 HydrophobicContact CG1-CB 3.88Å; I198-Y296 HydrophobicContact CG2-CD1 4.28Å; I198-Y296 HydrophobicContact CG2-CE1 4.07Å; I198-F297 HydrophobicContact CB-CD2 4.15Å; I198-F297 HydrophobicContact CB-CE2 4.32Å; I198-F297 HydrophobicContact CG1-CD2 3.96Å; I198-F297 HydrophobicContact CG1-CE2 3.88Å; I198-F297 HydrophobicContact CG2-CD2 3.96Å; I198-A300 HydrophobicContact CD1-CB 3.85Å; I198-A300 HydrophobicContact CG2-CB 4.23Å; I198-A301 HydrophobicContact CD1-CB 3.69Å; I198-A301 VanDerWaalsContact CD1-N 3.33Å
199N96.2Very high96Very high46 Ų4671.6 Ų71.625%0.24635%0.347CS..EExtended strand (participates in β ladder)trans-101.6147.2-175.7-67.80.8000111.6W214 T217 M218 Y296N199-W214 HydrophobicContact CB-CE3 4.25Å; N199-W214 HydrophobicContact CB-CH2 3.83Å; N199-W214 HydrophobicContact CB-CZ2 4.34Å; N199-W214 HydrophobicContact CB-CZ3 3.77Å; N199-W214 VanDerWaalsContact O-CH2 3.26Å; N199-W214 WeakPolarHBondContact O-CH2 3.27Å; N199-T217 HydrophobicContact CB-CG2 3.98Å; N199-T217 PolarHBondContact ND2-OG1 3.33Å; N199-M218 CarbonylContact C-O 3.44Å; N199-M218 WeakPolarHBondContact CA-O 3.45Å; N199-Y296 VanDerWaalsContact O-CE1 3.28Å; N199-Y296 WeakPolarHBondContact O-CE1 3.47Å
200F95.9Very high95.5Very high0 Ų070 Ų700%035%0.354CS..EExtended strand (participates in β ladder)trans-138.8160.1171.9-69.5-82.6000111.7I198 G202 T217 M218 L220 I274 K293 Y296 F297 L392 L393I198-F200 HydrophobicContact CB-CE2 4.48Å; I198-F200 HydrophobicContact CG2-CD2 4.38Å; I198-F200 HydrophobicContact CG2-CE2 3.65Å; I198-F200 HydrophobicContact CG2-CZ 4.04Å; F200-G202 PolarHBondContact O-N 3.11Å; F200-T217 CarbonylContact O-C 3.52Å; F200-T217 VanDerWaalsContact O-CA 3.24Å; F200-T217 WeakPolarHBondContact O-CA 3.41Å; F200-T217 VanDerWaalsContact O-CB 3.31Å; F200-T217 WeakPolarHBondContact O-CB 3.42Å; F200-M218 HydrophobicContact CB-CB 4.48Å; F200-M218 PolarHBondContact N-O 3.3Å; F200-M218 PolarHBondContact O-N 2.93Å; F200-L220 HydrophobicContact CD2-CB 4.42Å; F200-L220 HydrophobicContact CD2-CD1 3.58Å; F200-L220 HydrophobicContact CE2-CB 4.32Å; F200-L220 HydrophobicContact CE2-CD1 3.59Å; F200-I274 HydrophobicContact CE2-CD1 4.01Å; F200-I274 HydrophobicContact CZ-CD1 4.06Å; F200-K293 HydrophobicContact CD1-CG 4.12Å; F200-K293 HydrophobicContact CE1-CB 4.1Å; F200-K293 HydrophobicContact CE1-CG 3.79Å; F200-K293 HydrophobicContact CZ-CB 4.35Å; F200-K293 HydrophobicContact CZ-CG 4.35Å; F200-Y296 HydrophobicContact CD1-CD1 4.19Å; F200-Y296 AromaticContact CE1-CD1 3.61Å; F200-Y296 HydrophobicContact CE1-CD1 3.61Å; F200-Y296 HydrophobicContact CE1-CG 4.34Å; F200-Y296 AromaticContact CZ-CD1 3.91Å; F200-Y296 HydrophobicContact CZ-CD1 3.91Å; F200-F297 HydrophobicContact CE2-CD2 4.36Å; F200-F297 HydrophobicContact CZ-CB 4.2Å; F200-F297 HydrophobicContact CZ-CD2 4.49Å; F200-L392 HydrophobicContact CB-CD1 4.26Å; F200-L392 HydrophobicContact CD1-CD1 3.72Å; F200-L392 HydrophobicContact CD1-CD2 4.33Å; F200-L392 HydrophobicContact CD1-CG 3.95Å; F200-L392 HydrophobicContact CG-CD1 4.39Å; F200-L393 HydrophobicContact CD1-CD2 4.44Å
201Y96.9Very high95.1Very high57 Ų5775.3 Ų75.322%0.22437%0.368CS..EExtended strand (participates in β ladder)trans57.7-128.1-179.8-46.8-73.6000112.6W214 M218 E289 K293 H391 L392 P394Y201-W214 PolarHBondContact O-NE1 3.01Å; Y201-M218 HydrophobicContact CD2-CB 3.87Å; Y201-M218 HydrophobicContact CD2-SD 4.32Å; Y201-M218 HydrophobicContact CE2-CB 4.4Å; Y201-M218 HydrophobicContact CE2-SD 3.9Å; Y201-E289 PolarHBondContact OH-OE1 3.39Å; Y201-K293 WeakPolarHBondContact OH-CE 2.99Å; Y201-K293 PolarHBondContact OH-NZ 3.33Å; Y201-H391 AromaticContact CD1-CE1 3.72Å; Y201-H391 AromaticContact CD1-NE2 3.65Å; Y201-H391 AromaticContact CE1-CD2 3.9Å; Y201-H391 AromaticContact CE1-CE1 3.92Å; Y201-H391 AromaticContact CE1-NE2 3.4Å; Y201-H391 WeakPolarHBondContact CE1-NE2 3.35Å; Y201-L392 HydrophobicContact CD1-CD1 3.89Å; Y201-L392 HydrophobicContact CE1-CD1 3.61Å; Y201-L392 HydrophobicContact CG-CD1 4.49Å; Y201-L392 PolarHBondContact N-O 2.84Å; Y201-P394 WeakPolarHBondContact O-CD 3.42Å
202G96.6Very high94.9Very high30 Ų3072.6 Ų72.631%0.30936%0.36SS..EExtended strand (participates in β ladder)trans64.8-155.8-178.300000113.4F200 I215 D216F200-G202 PolarHBondContact O-N 3.11Å; G202-I215 CarbonylContact C-O 3.58Å; G202-I215 WeakPolarHBondContact CA-O 3.21Å; G202-D216 WeakPolarHBondContact CA-O 3.45Å
203R97.7Very high94.9Very high129 Ų12972.5 Ų72.549%0.48735%0.353SS..EExtended strand (participates in β ladder)trans-150.5162.1-178.960.4-179.3172.1116.37.6111.6I215 D216R203-I215 HydrophobicContact CG-CG1 4.04Å; R203-I215 PolarHBondContact N-O 2.9Å; R203-I215 PolarHBondContact O-N 3.01Å; R203-D216 IonicContact CZ-OD2 2.76Å; R203-D216 IonicContact NE-OD2 2.83Å; R203-D216 PolarHBondContact NE-OD2 2.78Å; R203-D216 IonicContact NH2-OD2 2.79Å; R203-D216 PolarHBondContact NH2-OD2 3.45Å
204V98Very high95Very high36 Ų3669 Ų6922%0.21834%0.335CS..EExtended strand (participates in β ladder)trans-94.9135.3170.9-175.20000109.8H213 P394 R395V204-H213 WeakPolarHBondContact CA-O 3.4Å; V204-P394 HydrophobicContact CG2-CB 4.42Å; V204-R395 HydrophobicContact CG2-CB 3.74Å; V204-R395 HydrophobicContact CG2-CG 4.38Å
205I97.2Very high95Very high69 Ų6967 Ų6735%0.35433%0.33SS..EExtended strand (participates in β ladder)trans-118.7158.9161.361.8164.8000109.3S212 H213 I215I205-S212 CarbonylContact O-C 3.56Å; I205-S212 WeakPolarHBondContact O-CA 3.18Å; I205-H213 HydrophobicContact CG1-CB 4.09Å; I205-H213 PolarHBondContact N-O 2.98Å; I205-H213 PolarHBondContact O-N 2.94Å; I205-I215 HydrophobicContact CB-CD1 4.49Å; I205-I215 HydrophobicContact CD1-CD1 3.71Å; I205-I215 HydrophobicContact CD1-CG1 4.5Å; I205-I215 HydrophobicContact CG1-CD1 3.88Å; I205-I215 HydrophobicContact CG1-CG1 4.2Å; I205-I215 HydrophobicContact CG1-CG2 4.44Å; I205-I215 HydrophobicContact CG2-CD1 3.81Å; I205-I215 HydrophobicContact CG2-CG1 4.31Å
206K94.7Very high95Very high130 Ų13068.6 Ų68.657%0.56534%0.34SS*.EExtended strand (participates in β ladder)trans-113.7137173.6-67.6-179.6-178.2175.40109.9R211 S212 E398K206-R211 VanDerWaalsContact CA-O 3.32Å; K206-R211 WeakPolarHBondContact CA-O 2.98Å; K206-S212 WeakPolarHBondContact CE-OG 3.42Å; K206-E398 IonicContact NZ-OE1 3.32Å
207D92.1Very high94.9Very high43 Ų4369.2 Ų69.223%0.2335%0.345CS..  trans-80174.8173.471.818.1000112.4K209 G210 R211 H213D207-K209 PolarHBondContact O-N 2.99Å; D207-K209 WeakPolarHBondContact OD1-CA 3.32Å; D207-K209 WeakPolarHBondContact OD1-CB 3.43Å; D207-K209 PolarHBondContact OD1-N 2.79Å; D207-G210 WeakPolarHBondContact O-CA 3.34Å; D207-G210 PolarHBondContact O-N 3.45Å; D207-G210 PolarHBondContact OD1-N 3.48Å; D207-R211 PolarHBondContact N-O 2.83Å; D207-R211 PolarHBondContact OD1-N 3.31Å; D207-R211 IonicContact OD1-NE 3.61Å; D207-R211 IonicContact OD2-CZ 2.71Å; D207-R211 IonicContact OD2-NE 3.83Å; D207-R211 PolarHBondContact OD2-NE 2.89Å; D207-R211 IonicContact OD2-NH2 3.54Å; D207-R211 PolarHBondContact OD2-NH2 3.23Å; D207-H213 IonicContact OD2-CD2 3.78Å; D207-H213 IonicContact OD2-CE1 3.65Å; D207-H213 IonicContact OD2-NE2 2.8Å; D207-H213 PolarHBondContact OD2-NE2 3.45Å
208E92.4Very high94.7Very high204 Ų20470.2 Ų70.295%0.95335%0.346SS*.THydrogen-bonded Turntrans-56.9-17.3178.8-59.7176.1165.400114
209K87.9Confident94.4Very high169 Ų16972.5 Ų72.574%0.73536%0.358SS*.THydrogen-bonded Turntrans-100.49.9178-56.6-179.1-178.2179.30111.9D207 R211D207-K209 PolarHBondContact O-N 2.99Å; D207-K209 WeakPolarHBondContact OD1-CA 3.32Å; D207-K209 WeakPolarHBondContact OD1-CB 3.43Å; D207-K209 PolarHBondContact OD1-N 2.79Å; K209-R211 VanDerWaalsContact C-N 3.28Å; K209-R211 HydrophobicContact CB-CG 4.45Å; K209-R211 PolarHBondContact O-N 3.27Å
210G87.8Confident94.3Very high50 Ų5070.5 Ų70.552%0.51535%0.347SS..  trans76.15.9179.600000115D207D207-G210 WeakPolarHBondContact O-CA 3.34Å; D207-G210 PolarHBondContact O-N 3.45Å; D207-G210 PolarHBondContact OD1-N 3.48Å
211R89.4Confident94.2Very high141 Ų14172.7 Ų72.753%0.53236%0.357SS..  trans-78.9130.2-176.6-57.1179-62.7166.75.9110.2K206 D207 K209 H213K206-R211 VanDerWaalsContact CA-O 3.32Å; K206-R211 WeakPolarHBondContact CA-O 2.98Å; D207-R211 PolarHBondContact N-O 2.83Å; D207-R211 PolarHBondContact OD1-N 3.31Å; D207-R211 IonicContact OD1-NE 3.61Å; D207-R211 IonicContact OD2-CZ 2.71Å; D207-R211 IonicContact OD2-NE 3.83Å; D207-R211 PolarHBondContact OD2-NE 2.89Å; D207-R211 IonicContact OD2-NH2 3.54Å; D207-R211 PolarHBondContact OD2-NH2 3.23Å; K209-R211 VanDerWaalsContact C-N 3.28Å; K209-R211 HydrophobicContact CB-CG 4.45Å; K209-R211 PolarHBondContact O-N 3.27Å; R211-H213 PolarHBondContact O-CD2 3.35Å; R211-H213 VanDerWaalsContact O-CD2 3.23Å
212S95.3Very high94.3Very high9 Ų970 Ų706%0.06335%0.346CS..EExtended strand (participates in β ladder)trans-72.1131.9174.7-71.90000111.1I205 K206 R395 E398I205-S212 CarbonylContact O-C 3.56Å; I205-S212 WeakPolarHBondContact O-CA 3.18Å; K206-S212 WeakPolarHBondContact CE-OG 3.42Å; S212-R395 VanDerWaalsContact CB-CZ 3.49Å; S212-R395 PolarHBondContact OG-NH1 2.91Å; S212-E398 PolarHBondContact OG-OE2 3.09Å
213H95.8Very high94.4Very high70 Ų7069.7 Ų69.732%0.32434%0.337SS..EExtended strand (participates in β ladder)trans-118.7128.8169.5-61.1-92000108.5V204 I205 D207 R211 I215V204-H213 WeakPolarHBondContact CA-O 3.4Å; I205-H213 HydrophobicContact CG1-CB 4.09Å; I205-H213 PolarHBondContact N-O 2.98Å; I205-H213 PolarHBondContact O-N 2.94Å; D207-H213 IonicContact OD2-CD2 3.78Å; D207-H213 IonicContact OD2-CE1 3.65Å; D207-H213 IonicContact OD2-NE2 2.8Å; D207-H213 PolarHBondContact OD2-NE2 3.45Å; R211-H213 PolarHBondContact O-CD2 3.35Å; R211-H213 VanDerWaalsContact O-CD2 3.23Å; H213-I215 HydrophobicContact CB-CG2 4.23Å
214W97.4Very high94.4Very high26 Ų2663.5 Ų63.510%0.09831%0.313CS..EExtended strand (participates in β ladder)trans-93.8115.2176.4-173.224.5000108.9N199 Y201 T217 Y296 L393 R395 H396N199-W214 HydrophobicContact CB-CE3 4.25Å; N199-W214 HydrophobicContact CB-CH2 3.83Å; N199-W214 HydrophobicContact CB-CZ2 4.34Å; N199-W214 HydrophobicContact CB-CZ3 3.77Å; N199-W214 VanDerWaalsContact O-CH2 3.26Å; N199-W214 WeakPolarHBondContact O-CH2 3.27Å; Y201-W214 PolarHBondContact O-NE1 3.01Å; W214-T217 HydrophobicContact CD2-CG2 3.9Å; W214-T217 HydrophobicContact CG-CG2 4.02Å; W214-T217 HydrophobicContact CZ2-CG2 4.05Å; W214-Y296 HydrophobicContact CH2-CE1 4.14Å; W214-Y296 WeakPolarHBondContact CZ3-OH 3.27Å; W214-L393 HydrophobicContact CH2-CD2 4.02Å; W214-L393 HydrophobicContact CZ2-CD2 4.34Å; W214-R395 HydrophobicContact CB-CB 4.22Å; W214-R395 HydrophobicContact CD2-CB 4.33Å; W214-R395 HydrophobicContact CG-CB 4.11Å; W214-H396 AromaticContact CH2-CE1 3.82Å; W214-H396 AromaticContact CZ3-CE1 3.63Å
215I96.9Very high94.4Very high46 Ų4663.2 Ų63.224%0.23631%0.309CS..EExtended strand (participates in β ladder)trans-131.9172.4-169.264.7161.3000111.9G202 R203 I205 H213 T217G202-I215 CarbonylContact C-O 3.58Å; G202-I215 WeakPolarHBondContact CA-O 3.21Å; R203-I215 HydrophobicContact CG-CG1 4.04Å; R203-I215 PolarHBondContact N-O 2.9Å; R203-I215 PolarHBondContact O-N 3.01Å; I205-I215 HydrophobicContact CB-CD1 4.49Å; I205-I215 HydrophobicContact CD1-CD1 3.71Å; I205-I215 HydrophobicContact CD1-CG1 4.5Å; I205-I215 HydrophobicContact CG1-CD1 3.88Å; I205-I215 HydrophobicContact CG1-CG1 4.2Å; I205-I215 HydrophobicContact CG1-CG2 4.44Å; I205-I215 HydrophobicContact CG2-CD1 3.81Å; I205-I215 HydrophobicContact CG2-CG1 4.31Å; H213-I215 HydrophobicContact CB-CG2 4.23Å; I215-T217 PolarHBondContact O-N 2.88Å
216D95.9Very high94.5Very high106 Ų10660.5 Ų60.557%0.56730%0.295SS*.EExtended strand (participates in β ladder)trans57.230.9178.4-50.6-16.5000113.4G202 R203G202-D216 WeakPolarHBondContact CA-O 3.45Å; R203-D216 IonicContact CZ-OD2 2.76Å; R203-D216 IonicContact NE-OD2 2.83Å; R203-D216 PolarHBondContact NE-OD2 2.78Å; R203-D216 IonicContact NH2-OD2 2.79Å; R203-D216 PolarHBondContact NH2-OD2 3.45Å
217T94.9Very high94.7Very high35 Ų3555 Ų5522%0.21527%0.272CS..EExtended strand (participates in β ladder)trans-84.7144.2-175.353.60000112.8N199 F200 W214 I215 L219N199-T217 HydrophobicContact CB-CG2 3.98Å; N199-T217 PolarHBondContact ND2-OG1 3.33Å; F200-T217 CarbonylContact O-C 3.52Å; F200-T217 VanDerWaalsContact O-CA 3.24Å; F200-T217 WeakPolarHBondContact O-CA 3.41Å; F200-T217 VanDerWaalsContact O-CB 3.31Å; F200-T217 WeakPolarHBondContact O-CB 3.42Å; W214-T217 HydrophobicContact CD2-CG2 3.9Å; W214-T217 HydrophobicContact CG-CG2 4.02Å; W214-T217 HydrophobicContact CZ2-CG2 4.05Å; I215-T217 PolarHBondContact O-N 2.88Å; T217-L219 PolarHBondContact O-N 2.63Å
218M92Very high95Very high76 Ų7653.3 Ų53.337%0.37426%0.263SS..EExtended strand (participates in β ladder)trans-64.9129.5163.3-178.1-174.1-174.700109.4N199 F200 Y201 L220 A271N199-M218 CarbonylContact C-O 3.44Å; N199-M218 WeakPolarHBondContact CA-O 3.45Å; F200-M218 HydrophobicContact CB-CB 4.48Å; F200-M218 PolarHBondContact N-O 3.3Å; F200-M218 PolarHBondContact O-N 2.93Å; Y201-M218 HydrophobicContact CD2-CB 3.87Å; Y201-M218 HydrophobicContact CD2-SD 4.32Å; Y201-M218 HydrophobicContact CE2-CB 4.4Å; Y201-M218 HydrophobicContact CE2-SD 3.9Å; M218-L220 HydrophobicContact CE-CD1 4.49Å; M218-A271 HydrophobicContact CE-CB 4.26Å
219L91.7Very high95.2Very high50 Ų5043.8 Ų43.826%0.26222%0.219SC..EExtended strand (participates in β ladder)trans-96.8137.8178.8-175.157.3000111.6P197 T217 F221P197-L219 HydrophobicContact CB-CD1 3.66Å; T217-L219 PolarHBondContact O-N 2.63Å; L219-F221 HydrophobicContact CD2-CE2 3.97Å; L219-F221 HydrophobicContact CD2-CZ 3.89Å; L219-F221 HydrophobicContact CG-CE2 3.97Å; L219-F221 HydrophobicContact CG-CZ 4.23Å
220L93.2Very high95.7Very high4 Ų435.9 Ų35.92%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-137.9155.5178.3-101155.7000108.9P197 I198 F200 M218 A271 I274P197-L220 CarbonylContact C-O 3.37Å; I198-L220 HydrophobicContact CB-CB 4.38Å; I198-L220 PolarHBondContact N-O 3.05Å; I198-L220 PolarHBondContact O-N 2.75Å; F200-L220 HydrophobicContact CD2-CB 4.42Å; F200-L220 HydrophobicContact CD2-CD1 3.58Å; F200-L220 HydrophobicContact CE2-CB 4.32Å; F200-L220 HydrophobicContact CE2-CD1 3.59Å; M218-L220 HydrophobicContact CE-CD1 4.49Å; L220-A271 HydrophobicContact CD2-CB 3.79Å; L220-A271 WeakPolarHBondContact CD2-O 3.43Å; L220-A271 HydrophobicContact CG-CB 4.45Å; L220-I274 HydrophobicContact CD1-CD1 3.62Å
221F95.4Very high96Very high47 Ų4733.6 Ų33.621%0.20616%0.161CC..EExtended strand (participates in β ladder)trans-118.2134.9-179.7-72.7-88.4000112.2M195 L196 P197 L219 K246 E248M195-F221 HydrophobicContact CG-CB 3.97Å; M195-F221 HydrophobicContact CG-CD1 4.12Å; M195-F221 HydrophobicContact CG-CG 4.47Å; M195-F221 HydrophobicContact SD-CB 3.76Å; M195-F221 HydrophobicContact SD-CD1 4.08Å; M195-F221 HydrophobicContact SD-CG 4.12Å; L196-F221 CarbonylContact O-C 3.45Å; L196-F221 WeakPolarHBondContact O-CA 3.47Å; P197-F221 HydrophobicContact CB-CE1 4.42Å; L219-F221 HydrophobicContact CD2-CE2 3.97Å; L219-F221 HydrophobicContact CD2-CZ 3.89Å; L219-F221 HydrophobicContact CG-CE2 3.97Å; L219-F221 HydrophobicContact CG-CZ 4.23Å; F221-K246 HydrophobicContact CB-CB 4.13Å; F221-K246 PolarHBondContact N-O 3.48Å; F221-K246 PolarHBondContact O-N 3.15Å; F221-E248 HydrophobicContact CD2-CB 4.25Å; F221-E248 HydrophobicContact CE2-CB 3.85Å; F221-E248 HydrophobicContact CE2-CG 3.93Å
222A97.9Very high96.2Very high0 Ų028.5 Ų28.50%014%0.143CC..EExtended strand (participates in β ladder)trans-99.7106.9173.100000110.3M195 L196 I198 W243 F297 A301M195-A222 WeakPolarHBondContact CA-O 3.35Å; L196-A222 PolarHBondContact N-O 3.23Å; L196-A222 PolarHBondContact O-N 3.27Å; I198-A222 HydrophobicContact CD1-CB 4.15Å; I198-A222 HydrophobicContact CG1-CB 3.88Å; A222-W243 HydrophobicContact CB-CD2 4.22Å; A222-W243 HydrophobicContact CB-CE3 3.68Å; A222-W243 HydrophobicContact CB-CZ3 4.2Å; A222-F297 HydrophobicContact CB-CE1 4.11Å; A222-F297 HydrophobicContact CB-CE2 4.07Å; A222-F297 HydrophobicContact CB-CZ 3.58Å; A222-A301 HydrophobicContact CB-CB 3.5Å; A222-A301 VanDerWaalsContact CB-CB 3.5Å
223M97.7Very high96.1Very high23 Ų2330.7 Ų30.711%0.11315%0.152CC..EExtended strand (participates in β ladder)trans-91.9119.3172.9-170.3166.774.400109.8P192 M195 Y225 S244 K246P192-M223 HydrophobicContact CB-SD 4.1Å; M195-M223 HydrophobicContact CE-CB 4.09Å; M195-M223 HydrophobicContact CE-CG 3.99Å; M195-M223 HydrophobicContact CE-SD 3.72Å; M195-M223 HydrophobicContact CG-CB 4.35Å; M223-Y225 HydrophobicContact CE-CE2 3.45Å; M223-Y225 VanDerWaalsContact CE-CE2 3.45Å; M223-Y225 VanDerWaalsContact CE-OH 3.29Å; M223-Y225 WeakPolarHBondContact CE-OH 3.29Å; M223-S244 PolarHBondContact N-O 2.88Å; M223-S244 PolarHBondContact O-N 2.95Å; M223-K246 HydrophobicContact CB-CG 4.1Å
224P98.6Very high96Very high0 Ų027.6 Ų27.60%014%0.138CC..EExtended strand (participates in β ladder)trans-76.9142.9177.818.5-14.4000111.8R191 Y194 R241 W243R191-P224 HydrophobicContact CB-CB 4.24Å; R191-P224 HydrophobicContact CB-CG 3.84Å; R191-P224 WeakPolarHBondContact CB-O 3.41Å; R191-P224 PolarHBondContact N-O 3.18Å; R191-P224 WeakPolarHBondContact O-CD 3.06Å; Y194-P224 WeakPolarHBondContact O-CD 3.27Å; Y194-P224 WeakPolarHBondContact O-CG 3.49Å; P224-R241 HydrophobicContact CB-CG 4.01Å; P224-W243 HydrophobicContact CB-CE3 3.75Å; P224-W243 HydrophobicContact CB-CH2 4.13Å; P224-W243 HydrophobicContact CB-CZ3 3.51Å; P224-W243 HydrophobicContact CG-CE3 4.1Å; P224-W243 HydrophobicContact CG-CH2 4.16Å; P224-W243 HydrophobicContact CG-CZ3 3.47Å; P224-W243 VanDerWaalsContact CG-CZ3 3.47Å
225Y98.8Very high95.9Very high30 Ų3027.7 Ų27.712%0.11814%0.14CC..EExtended strand (participates in β ladder)trans-118.2125.4163-74-109.8000107.7E188 A190 M223 R241 L242E188-Y225 HydrophobicContact CB-CD1 4.3Å; E188-Y225 VanDerWaalsContact CD-CD1 3.48Å; E188-Y225 HydrophobicContact CG-CD1 4.06Å; E188-Y225 VanDerWaalsContact OE1-CD1 3.26Å; E188-Y225 WeakPolarHBondContact OE1-CD1 3.23Å; E188-Y225 WeakPolarHBondContact OE1-CE1 3.38Å; A190-Y225 HydrophobicContact CB-CD1 3.88Å; A190-Y225 HydrophobicContact CB-CE1 3.65Å; A190-Y225 HydrophobicContact CB-CG 4.48Å; M223-Y225 HydrophobicContact CE-CE2 3.45Å; M223-Y225 VanDerWaalsContact CE-CE2 3.45Å; M223-Y225 VanDerWaalsContact CE-OH 3.29Å; M223-Y225 WeakPolarHBondContact CE-OH 3.29Å; Y225-R241 WeakPolarHBondContact O-CA 3.47Å; Y225-L242 PolarHBondContact N-O 2.87Å; Y225-L242 PolarHBondContact O-N 3.03Å
226D98.7Very high95.9Very high11 Ų1125.8 Ų25.86%0.05913%0.13CC..EExtended strand (participates in β ladder)trans-97.9126177.5-66.7-27000110W65 E188 K189 R191 T239 R241W65-D226 HydrophobicContact CH2-CB 3.52Å; W65-D226 HydrophobicContact CZ2-CB 3.67Å; E188-D226 CarbonylContact C-O 3.56Å; E188-D226 WeakPolarHBondContact CA-O 3.49Å; K189-D226 PolarHBondContact N-O 3.39Å; K189-D226 PolarHBondContact O-N 3.24Å; R191-D226 HydrophobicContact CG-CB 4.5Å; R191-D226 WeakPolarHBondContact CG-OD2 3.5Å; R191-D226 IonicContact NE-OD2 3.97Å; R191-D226 PolarHBondContact NE-OD2 2.87Å; R191-D226 VanDerWaalsContact NE-OD2 3.1Å; D226-T239 HydrophobicContact CB-CG2 4.02Å; D226-R241 VanDerWaalsContact CG-NH2 3.26Å; D226-R241 IonicContact OD1-CZ 2.86Å; D226-R241 IonicContact OD1-NE 2.68Å; D226-R241 PolarHBondContact OD1-NE 2.67Å; D226-R241 IonicContact OD1-NH2 2.72Å; D226-R241 PolarHBondContact OD1-NH2 2.71Å; D226-R241 IonicContact OD2-NH2 3.36Å; D226-R241 PolarHBondContact OD2-NH2 3.18Å
227T98.4Very high96Very high14 Ų1420.8 Ų20.89%0.08610%0.104CC..EExtended strand (participates in β ladder)trans-111129.1169.3-610000109.1W187 L240W187-T227 HydrophobicContact CB-CG2 4.31Å; T227-L240 PolarHBondContact N-O 2.89Å; T227-L240 PolarHBondContact O-N 2.87Å
228P98.3Very high96.2Very high8 Ų819.3 Ų19.35%0.0529%0.094CC..EExtended strand (participates in β ladder)trans-70.3144.8177.828.8-34.8000111.8L61 W65 W187 V237L61-P228 HydrophobicContact CD1-CB 4.16Å; L61-P228 HydrophobicContact CD1-CG 3.71Å; W65-P228 HydrophobicContact CD2-CB 4.04Å; W65-P228 HydrophobicContact CE3-CB 4.2Å; W65-P228 HydrophobicContact CG-CB 4.45Å; W65-P228 HydrophobicContact CH2-CB 4.44Å; W65-P228 HydrophobicContact CZ2-CB 4.3Å; W65-P228 HydrophobicContact CZ3-CB 4.4Å; W187-P228 VanDerWaalsContact O-CD 3.27Å; W187-P228 WeakPolarHBondContact O-CD 3.28Å; P228-V237 HydrophobicContact CB-CG1 3.51Å
229V98.1Very high96.5Very high5 Ų516 Ų163%0.038%0.078CC..EExtended strand (participates in β ladder)trans-125.1100.7174.2-176.20000109.5L142 A146 V237 N238 L240L142-V229 HydrophobicContact CB-CG1 4.03Å; L142-V229 HydrophobicContact CB-CG2 4.42Å; L142-V229 HydrophobicContact CD1-CG2 4.37Å; A146-V229 HydrophobicContact CB-CG1 4.17Å; A146-V229 WeakPolarHBondContact CB-O 3.14Å; V229-V237 CarbonylContact O-C 3.01Å; V229-V237 VanDerWaalsContact O-CA 3.32Å; V229-V237 WeakPolarHBondContact O-CA 3.21Å; V229-N238 HydrophobicContact CB-CB 4.33Å; V229-N238 PolarHBondContact N-O 2.98Å; V229-N238 PolarHBondContact O-N 2.97Å; V229-L240 HydrophobicContact CG2-CB 4.08Å
230P96.6Very high96.8Very high2 Ų213.7 Ų13.71%0.0137%0.066CC..EExtended strand (participates in β ladder)trans-75.7136.7179.629.3-32.7000112.5L61 N99 V237L61-P230 HydrophobicContact CD2-CB 3.69Å; L61-P230 HydrophobicContact CD2-CG 3.93Å; N99-P230 HydrophobicContact CB-CB 4.03Å; N99-P230 HydrophobicContact CB-CG 3.99Å; N99-P230 PolarHBondContact ND2-O 2.97Å; P230-V237 HydrophobicContact CB-CG2 4.33Å
231G95.3Very high97.1Very high2 Ų214 Ų142%0.0217%0.067CC..  trans-81.6151.6166.300000111.8A146 Q233 N234 V236A146-G231 VanDerWaalsContact C-CA 3.5Å; G231-Q233 PolarHBondContact O-N 3.3Å; G231-N234 PolarHBondContact O-OD1 3.1Å; G231-V236 PolarHBondContact N-O 2.95Å
232Y93.5Very high97.2Very high35 Ų3512 Ų1214%0.1376%0.059CC..THydrogen-bonded Turntrans-63.8108.9-176.8-175.2-92.3000112.4L98 T147 N234 I493 T494L98-Y232 HydrophobicContact CD1-CE2 4.23Å; L98-Y232 HydrophobicContact CG-CE2 4.21Å; T147-Y232 PolarHBondContact OG1-N 2.98Å; Y232-N234 PolarHBondContact O-N 3.39Å; Y232-I493 HydrophobicContact CD1-CG2 4.16Å; Y232-I493 HydrophobicContact CD2-CG2 4.15Å; Y232-I493 HydrophobicContact CE1-CB 4.33Å; Y232-I493 HydrophobicContact CE1-CG2 3.8Å; Y232-I493 HydrophobicContact CE2-CG2 3.81Å; Y232-I493 HydrophobicContact CG-CG2 4.32Å; Y232-I493 WeakPolarHBondContact OH-CD1 3.4Å; Y232-T494 HydrophobicContact CD1-CG2 3.57Å; Y232-T494 HydrophobicContact CE1-CG2 4.27Å; Y232-T494 HydrophobicContact CG-CG2 4.34Å
233Q92.1Very high97.3Very high55 Ų5512 Ų1226%0.2576%0.059SC..THydrogen-bonded Turntrans49.424.4175.1-57.8-169.58.900116.2N99 G231 R821N99-Q233 WeakPolarHBondContact O-CA 3.22Å; N99-Q233 PolarHBondContact O-N 2.99Å; G231-Q233 PolarHBondContact O-N 3.3Å; Q233-R821 WeakPolarHBondContact O-CD 3.24Å; Q233-R821 VanDerWaalsContact O-CZ 3.26Å; Q233-R821 PolarHBondContact O-NE 3.44Å
234N94.7Very high97.3Very high5 Ų511.1 Ų11.13%0.0276%0.055CC..SBendtrans-108.61.1-178.172.10.8000113.9A146 T147 G231 Y232 V236 R821 L822A146-N234 PolarHBondContact O-ND2 3.37Å; T147-N234 VanDerWaalsContact C-ND2 3.35Å; T147-N234 WeakPolarHBondContact CA-ND2 3.47Å; T147-N234 PolarHBondContact O-ND2 3.37Å; G231-N234 PolarHBondContact O-OD1 3.1Å; Y232-N234 PolarHBondContact O-N 3.39Å; N234-V236 HydrophobicContact CB-CG2 4.48Å; N234-V236 PolarHBondContact O-N 2.84Å; N234-V236 VanDerWaalsContact O-N 3.1Å; N234-V236 VanDerWaalsContact OD1-CB 3.28Å; N234-V236 WeakPolarHBondContact OD1-CB 3.37Å; N234-V236 PolarHBondContact OD1-N 2.78Å; N234-R821 CarbonylContact O-C 3.11Å; N234-R821 WeakPolarHBondContact O-CA 3.37Å; N234-L822 PolarHBondContact O-N 2.88Å
235N95.3Very high97.2Very high27 Ų2711.1 Ų11.114%0.1446%0.055CC..  trans59.59.3-175.5-59.6-47.7000115.6R64 L822R64-N235 HydrophobicContact CG-CB 4.39Å; R64-N235 PolarHBondContact NE-OD1 2.91Å; R64-N235 PolarHBondContact NH2-OD1 3.46Å; N235-L822 HydrophobicContact CB-CB 4.07Å; N235-L822 WeakPolarHBondContact CB-O 3.29Å; N235-L822 PolarHBondContact ND2-O 3.07Å
236V96.6Very high96.9Very high6 Ų612.6 Ų12.64%0.0366%0.062CC..  trans-80.1134.6170.7-179.50000108.8T68 Y72 G231 N234 L822T68-V236 HydrophobicContact CG2-CG1 3.85Å; Y72-V236 WeakPolarHBondContact OH-CG1 3.44Å; G231-V236 PolarHBondContact N-O 2.95Å; N234-V236 HydrophobicContact CB-CG2 4.48Å; N234-V236 PolarHBondContact O-N 2.84Å; N234-V236 VanDerWaalsContact O-N 3.1Å; N234-V236 VanDerWaalsContact OD1-CB 3.28Å; N234-V236 WeakPolarHBondContact OD1-CB 3.37Å; N234-V236 PolarHBondContact OD1-N 2.78Å; V236-L822 HydrophobicContact CG2-CD1 3.89Å; V236-L822 HydrophobicContact CG2-CG 4Å
237V98.1Very high96.3Very high1 Ų112.9 Ų12.91%0.0067%0.066CC..EExtended strand (participates in β ladder)trans-131.7108.3170.2-177.60000109.3L61 R64 W65 T68 P228 V229 P230L61-V237 HydrophobicContact CD2-CG1 4.47Å; L61-V237 HydrophobicContact CD2-CG2 4.02Å; R64-V237 HydrophobicContact CB-CG2 3.64Å; W65-V237 HydrophobicContact CB-CB 4.03Å; W65-V237 HydrophobicContact CB-CG1 3.88Å; W65-V237 VanDerWaalsContact CD1-O 3.31Å; W65-V237 HydrophobicContact CG-CB 4.32Å; W65-V237 HydrophobicContact CG-CG1 3.83Å; T68-V237 WeakPolarHBondContact CB-O 3.43Å; T68-V237 VanDerWaalsContact CG2-O 3.25Å; T68-V237 WeakPolarHBondContact CG2-O 3.47Å; T68-V237 PolarHBondContact OG1-N 3.1Å; P228-V237 HydrophobicContact CB-CG1 3.51Å; V229-V237 CarbonylContact O-C 3.01Å; V229-V237 VanDerWaalsContact O-CA 3.32Å; V229-V237 WeakPolarHBondContact O-CA 3.21Å; P230-V237 HydrophobicContact CB-CG2 4.33Å
238N98.2Very high95.4Very high4 Ų415.6 Ų15.62%0.0218%0.078CC..EExtended strand (participates in β ladder)trans-79.7-177.8173.3-87.1-26.7000111W65 Y72 A146 V150 A152 V229W65-N238 PolarHBondContact NE1-O 3.18Å; Y72-N238 WeakPolarHBondContact CE2-OD1 3.49Å; Y72-N238 PolarHBondContact OH-OD1 2.92Å; A146-N238 WeakPolarHBondContact CA-ND2 3.47Å; A146-N238 HydrophobicContact CB-CB 4.17Å; A146-N238 PolarHBondContact N-ND2 3Å; V150-N238 PolarHBondContact O-ND2 3.45Å; V150-N238 PolarHBondContact O-OD1 3.02Å; A152-N238 VanDerWaalsContact O-CG 3.28Å; A152-N238 PolarHBondContact O-OD1 2.78Å; V229-N238 HydrophobicContact CB-CB 4.33Å; V229-N238 PolarHBondContact N-O 2.98Å; V229-N238 PolarHBondContact O-N 2.97Å
239T98.7Very high93.9Very high6 Ų623 Ų234%0.03712%0.117CC..EExtended strand (participates in β ladder)trans-128.5128.9-175.9-58.20000111.4W65 Q69 Y153 G154 D226 R241W65-T239 HydrophobicContact CZ2-CG2 4.12Å; W65-T239 PolarHBondContact NE1-OG1 3.43Å; Q69-T239 PolarHBondContact NE2-OG1 2.9Å; Y153-T239 WeakPolarHBondContact CA-O 3.48Å; G154-T239 PolarHBondContact N-O 2.85Å; D226-T239 HydrophobicContact CB-CG2 4.02Å; T239-R241 HydrophobicContact CG2-CB 4.44Å
240L98.8Very high92Very high2 Ų229.4 Ų29.41%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-93.8113.7157.4173.352.8000108.1F87 M89 L142 T227 V229 L242F87-L240 HydrophobicContact CB-CD2 4.17Å; F87-L240 HydrophobicContact CD1-CD1 4.02Å; F87-L240 HydrophobicContact CD1-CD2 4.36Å; F87-L240 HydrophobicContact CD2-CD1 3.89Å; F87-L240 HydrophobicContact CE1-CD1 4.04Å; F87-L240 HydrophobicContact CE2-CD1 3.91Å; F87-L240 HydrophobicContact CG-CD1 3.95Å; F87-L240 HydrophobicContact CG-CD2 4.18Å; F87-L240 HydrophobicContact CZ-CD1 3.98Å; M89-L240 HydrophobicContact CE-CD2 4.39Å; M89-L240 HydrophobicContact CG-CD2 4.08Å; M89-L240 HydrophobicContact SD-CD2 3.9Å; L142-L240 HydrophobicContact CD1-CB 4.04Å; L142-L240 HydrophobicContact CD1-CD1 4.09Å; L142-L240 HydrophobicContact CD1-CD2 4.05Å; L142-L240 HydrophobicContact CD1-CG 4.27Å; T227-L240 PolarHBondContact N-O 2.89Å; T227-L240 PolarHBondContact O-N 2.87Å; V229-L240 HydrophobicContact CG2-CB 4.08Å; L240-L242 HydrophobicContact CD1-CD2 3.71Å; L240-L242 HydrophobicContact CD1-CG 4.27Å; L240-L242 HydrophobicContact CD2-CD1 4.47Å; L240-L242 HydrophobicContact CD2-CD2 4.27Å; L240-L242 HydrophobicContact CD2-CG 4.46Å; L240-L242 HydrophobicContact CG-CD1 4.45Å; L240-L242 HydrophobicContact CG-CD2 3.92Å; L240-L242 HydrophobicContact CG-CG 3.99Å
241R98.8Very high90Very high11 Ų1136.2 Ų36.24%0.04218%0.176CC..EExtended strand (participates in β ladder)trans-99.2119.6176.1176.3159.1-76-158.2-11.8109.6G154 Y155 G156 P224 Y225 D226 T239 W243 D305G154-R241 PolarHBondContact O-N 2.74Å; Y155-R241 WeakPolarHBondContact CA-O 3.42Å; Y155-R241 HydrophobicContact CD1-CB 4.02Å; Y155-R241 HydrophobicContact CD1-CG 4.02Å; Y155-R241 HydrophobicContact CE1-CB 3.96Å; Y155-R241 VanDerWaalsContact CE1-CD 3.45Å; Y155-R241 HydrophobicContact CE1-CG 3.78Å; Y155-R241 HydrophobicContact CG-CB 4.5Å; G156-R241 PolarHBondContact N-O 3.46Å; P224-R241 HydrophobicContact CB-CG 4.01Å; Y225-R241 WeakPolarHBondContact O-CA 3.47Å; D226-R241 VanDerWaalsContact CG-NH2 3.26Å; D226-R241 IonicContact OD1-CZ 2.86Å; D226-R241 IonicContact OD1-NE 2.68Å; D226-R241 PolarHBondContact OD1-NE 2.67Å; D226-R241 IonicContact OD1-NH2 2.72Å; D226-R241 PolarHBondContact OD1-NH2 2.71Å; D226-R241 IonicContact OD2-NH2 3.36Å; D226-R241 PolarHBondContact OD2-NH2 3.18Å; T239-R241 HydrophobicContact CG2-CB 4.44Å; R241-W243 HydrophobicContact CG-CZ2 4.4Å; R241-D305 IonicContact CZ-OD2 3.57Å; R241-D305 IonicContact NE-OD2 3.23Å; R241-D305 VanDerWaalsContact NH1-CG 3.31Å; R241-D305 IonicContact NH1-OD1 3.18Å; R241-D305 PolarHBondContact NH1-OD1 3.44Å; R241-D305 IonicContact NH1-OD2 3.67Å; R241-D305 PolarHBondContact NH1-OD2 3.36Å
242L98.8Very high88.2Confident4 Ų439.4 Ų39.42%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-114.4125-179.3-59.3174.4000109.8F87 L129 G156 R158 Y225 L240F87-L242 HydrophobicContact CD2-CD2 4.48Å; L129-L242 HydrophobicContact CD1-CD1 3.51Å; G156-L242 WeakPolarHBondContact O-CA 3.28Å; R158-L242 HydrophobicContact CB-CB 3.74Å; Y225-L242 PolarHBondContact N-O 2.87Å; Y225-L242 PolarHBondContact O-N 3.03Å; L240-L242 HydrophobicContact CD1-CD2 3.71Å; L240-L242 HydrophobicContact CD1-CG 4.27Å; L240-L242 HydrophobicContact CD2-CD1 4.47Å; L240-L242 HydrophobicContact CD2-CD2 4.27Å; L240-L242 HydrophobicContact CD2-CG 4.46Å; L240-L242 HydrophobicContact CG-CD1 4.45Å; L240-L242 HydrophobicContact CG-CD2 3.92Å; L240-L242 HydrophobicContact CG-CG 3.99Å
243W98.7Very high86.7Confident0 Ų042.8 Ų42.80%021%0.212CC..EExtended strand (participates in β ladder)trans-86.8134.3179.1-58.5107.9000111.5Y155 G156 L157 R158 L196 A222 P224 R241 T275 F297 A301 T302 D305Y155-W243 HydrophobicContact CD1-CZ2 4.21Å; Y155-W243 AromaticContact CD1-NE1 3.59Å; Y155-W243 AromaticContact CE1-CZ2 3.8Å; Y155-W243 HydrophobicContact CE1-CZ2 3.8Å; G156-W243 PolarHBondContact O-N 2.94Å; L157-W243 HydrophobicContact CD2-CB 4.11Å; R158-W243 PolarHBondContact N-O 2.94Å; L196-W243 HydrophobicContact CD1-CH2 3.69Å; L196-W243 HydrophobicContact CD1-CZ2 4.48Å; L196-W243 HydrophobicContact CD1-CZ3 4.2Å; A222-W243 HydrophobicContact CB-CD2 4.22Å; A222-W243 HydrophobicContact CB-CE3 3.68Å; A222-W243 HydrophobicContact CB-CZ3 4.2Å; P224-W243 HydrophobicContact CB-CE3 3.75Å; P224-W243 HydrophobicContact CB-CH2 4.13Å; P224-W243 HydrophobicContact CB-CZ3 3.51Å; P224-W243 HydrophobicContact CG-CE3 4.1Å; P224-W243 HydrophobicContact CG-CH2 4.16Å; P224-W243 HydrophobicContact CG-CZ3 3.47Å; P224-W243 VanDerWaalsContact CG-CZ3 3.47Å; R241-W243 HydrophobicContact CG-CZ2 4.4Å; W243-T275 WeakPolarHBondContact O-CG2 3.43Å; W243-F297 HydrophobicContact CB-CD1 4.43Å; W243-F297 HydrophobicContact CB-CE1 3.83Å; W243-A301 HydrophobicContact CD2-CB 3.52Å; W243-A301 VanDerWaalsContact CE2-CB 3.41Å; W243-A301 HydrophobicContact CE3-CB 3.94Å; W243-A301 HydrophobicContact CG-CB 3.88Å; W243-A301 HydrophobicContact CH2-CB 4.18Å; W243-A301 VanDerWaalsContact CZ2-C 3.45Å; W243-A301 HydrophobicContact CZ2-CB 3.78Å; W243-A301 VanDerWaalsContact CZ2-O 3.27Å; W243-A301 WeakPolarHBondContact CZ2-O 3.3Å; W243-A301 HydrophobicContact CZ3-CB 4.22Å; W243-T302 PolarHBondContact NE1-OG1 3.41Å; W243-D305 HydrophobicContact CH2-CB 3.94Å; W243-D305 HydrophobicContact CZ2-CB 3.91Å
244S97.6Very high85.2Confident6 Ų644.3 Ų44.34%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-108.7134.5168.91790000109.7M223M223-S244 PolarHBondContact N-O 2.88Å; M223-S244 PolarHBondContact O-N 2.95Å
245A96.4Very high83.5Confident0 Ų049.1 Ų49.10%025%0.247CC..EExtended strand (participates in β ladder)trans-72.2132.9172.100000111I274 T275 F297A245-I274 HydrophobicContact CB-CB 4.08Å; A245-T275 HydrophobicContact CB-CG2 3.93Å; A245-T275 PolarHBondContact N-OG1 3.43Å; A245-F297 VanDerWaalsContact CA-CZ 3.47Å; A245-F297 HydrophobicContact CB-CE1 4.27Å; A245-F297 HydrophobicContact CB-CE2 4.15Å; A245-F297 HydrophobicContact CB-CZ 3.8Å
246K93Very high81.8Confident60 Ų6051.9 Ų51.926%0.26126%0.257SS..EExtended strand (participates in β ladder)trans-129.2132.5171.9-67.1-66.6127.8-154.30108.1F221 M223 E272F221-K246 HydrophobicContact CB-CB 4.13Å; F221-K246 PolarHBondContact N-O 3.48Å; F221-K246 PolarHBondContact O-N 3.15Å; M223-K246 HydrophobicContact CB-CG 4.1Å; K246-E272 IonicContact NZ-OE1 3.77Å; K246-E272 PolarHBondContact NZ-OE1 3.06Å; K246-E272 IonicContact NZ-OE2 3.61Å
247A87Confident80.4Confident17 Ų1757.4 Ų57.414%0.1429%0.287CS..  trans-64.4160167.600000110.4R268 A271A247-R268 HydrophobicContact CB-CB 4.3Å; A247-R268 HydrophobicContact CB-CG 3.48Å; A247-R268 VanDerWaalsContact CB-CG 3.48Å; A247-A271 HydrophobicContact CB-CB 3.84Å
248E78.2Confident79Confident72 Ų7263.3 Ų63.334%0.33632%0.318SS..  trans-63.8138.3169.6-179.6151.7-134.600111.1F221 H250F221-E248 HydrophobicContact CD2-CB 4.25Å; F221-E248 HydrophobicContact CE2-CB 3.85Å; F221-E248 HydrophobicContact CE2-CG 3.93Å; E248-H250 HydrophobicContact CG-CB 4.36Å; E248-H250 PolarHBondContact O-N 2.91Å; E248-H250 IonicContact OE1-CE1 3.71Å; E248-H250 IonicContact OE1-NE2 3.38Å
249N66.9Low77.3Confident162 Ų16264.9 Ų64.987%0.86634%0.335SS*.  trans-7766.7173.7-88.3-12.3000110.3
250H58.1Low75.7Confident141 Ų14167.9 Ų67.965%0.65335%0.351SS*.  trans-111.482.3166.7-78.516.9000108.7E248 N252E248-H250 HydrophobicContact CG-CB 4.36Å; E248-H250 PolarHBondContact O-N 2.91Å; E248-H250 IonicContact OE1-CE1 3.71Å; E248-H250 IonicContact OE1-NE2 3.38Å; H250-N252 PolarHBondContact O-N 3.25Å
251F56Low74.2Confident144 Ų14473.5 Ų73.563%0.63237%0.373SS*.  trans-67.986.5163.7-168.6-87.9000107.4L253 F256F251-L253 HydrophobicContact CD1-CD2 4Å; F251-L253 HydrophobicContact CD1-CG 4.23Å; F251-L253 HydrophobicContact CE1-CD2 3.91Å; F251-L253 PolarHBondContact O-N 2.86Å; F251-F256 HydrophobicContact CE1-CB 4.15Å; F251-F256 HydrophobicContact CE1-CD1 4.22Å; F251-F256 AromaticContact CE1-CD2 3.76Å; F251-F256 HydrophobicContact CE1-CD2 3.76Å; F251-F256 HydrophobicContact CE1-CE2 4.22Å; F251-F256 AromaticContact CE1-CG 3.77Å; F251-F256 HydrophobicContact CE1-CG 3.77Å; F251-F256 HydrophobicContact CE2-CD2 4.15Å; F251-F256 HydrophobicContact CE2-CE2 4.29Å; F251-F256 HydrophobicContact CZ-CD1 4.39Å; F251-F256 AromaticContact CZ-CD2 3.32Å; F251-F256 HydrophobicContact CZ-CD2 3.32Å; F251-F256 HydrophobicContact CZ-CE1 4.49Å; F251-F256 AromaticContact CZ-CE2 3.47Å; F251-F256 HydrophobicContact CZ-CE2 3.47Å; F251-F256 VanDerWaalsContact CZ-CE2 3.47Å; F251-F256 AromaticContact CZ-CG 3.83Å; F251-F256 HydrophobicContact CZ-CG 3.83Å; F251-F256 HydrophobicContact CZ-CZ 4.07Å
252N56.5Low73Confident69 Ų6978.8 Ų78.837%0.36940%0.401SS..  trans-72.693.4-172.3-171.1-18.6000109.4H250 T254 F255 F256H250-N252 PolarHBondContact O-N 3.25Å; N252-T254 PolarHBondContact O-N 2.91Å; N252-T254 VanDerWaalsContact OD1-CB 3.32Å; N252-T254 WeakPolarHBondContact OD1-CB 3.38Å; N252-T254 PolarHBondContact OD1-N 2.86Å; N252-T254 PolarHBondContact OD1-OG1 2.97Å; N252-F255 HydrophobicContact CB-CD2 4.04Å; N252-F255 VanDerWaalsContact ND2-CD2 3.3Å; N252-F255 WeakPolarHBondContact ND2-CD2 3.38Å; N252-F255 PolarHBondContact O-N 3.28Å; N252-F255 VanDerWaalsContact O-N 3.14Å; N252-F256 PolarHBondContact O-N 2.79Å
253L61.5Low71.5Confident106 Ų10682.7 Ų82.756%0.55542%0.419SS*.Hα-helixtrans-54.8-24.5-178.7-77.1165.7000113F251 N257F251-L253 HydrophobicContact CD1-CD2 4Å; F251-L253 HydrophobicContact CD1-CG 4.23Å; F251-L253 HydrophobicContact CE1-CD2 3.91Å; F251-L253 PolarHBondContact O-N 2.86Å; L253-N257 VanDerWaalsContact O-CB 3.24Å; L253-N257 WeakPolarHBondContact O-CB 3.33Å; L253-N257 PolarHBondContact O-N 3.47Å; L253-N257 PolarHBondContact O-ND2 3.16Å; L253-N257 VanDerWaalsContact O-ND2 3.11Å
254T61.8Low70Confident88 Ų8885 Ų8554%0.5444%0.438SS..Hα-helixtrans-63.4-62173.4-16.30000110.5N252 F256 N257 D258N252-T254 PolarHBondContact O-N 2.91Å; N252-T254 VanDerWaalsContact OD1-CB 3.32Å; N252-T254 WeakPolarHBondContact OD1-CB 3.38Å; N252-T254 PolarHBondContact OD1-N 2.86Å; N252-T254 PolarHBondContact OD1-OG1 2.97Å; T254-F256 PolarHBondContact O-N 2.76Å; T254-N257 PolarHBondContact O-N 2.87Å; T254-D258 WeakPolarHBondContact O-CB 3.39Å; T254-D258 VanDerWaalsContact O-CG 3.23Å; T254-D258 PolarHBondContact O-N 3.12Å
255F59.2Low68.8Low106 Ų10688.6 Ų88.647%0.46546%0.46SS..Hα-helixtrans-58-33.8176.1-72.5-60.5000113.2N252 G259 D260N252-F255 HydrophobicContact CB-CD2 4.04Å; N252-F255 VanDerWaalsContact ND2-CD2 3.3Å; N252-F255 WeakPolarHBondContact ND2-CD2 3.38Å; N252-F255 PolarHBondContact O-N 3.28Å; N252-F255 VanDerWaalsContact O-N 3.14Å; F255-G259 PolarHBondContact O-N 3.31Å; F255-D260 HydrophobicContact CD1-CB 4.5Å; F255-D260 PolarHBondContact O-N 2.97Å
256F59.3Low67.6Low84 Ų8492.9 Ų92.937%0.36848%0.482SS..Hα-helixtrans-66.4-41.2175.2-168.6-91000112.3F251 N252 T254 Y261F251-F256 HydrophobicContact CE1-CB 4.15Å; F251-F256 HydrophobicContact CE1-CD1 4.22Å; F251-F256 AromaticContact CE1-CD2 3.76Å; F251-F256 HydrophobicContact CE1-CD2 3.76Å; F251-F256 HydrophobicContact CE1-CE2 4.22Å; F251-F256 AromaticContact CE1-CG 3.77Å; F251-F256 HydrophobicContact CE1-CG 3.77Å; F251-F256 HydrophobicContact CE2-CD2 4.15Å; F251-F256 HydrophobicContact CE2-CE2 4.29Å; F251-F256 HydrophobicContact CZ-CD1 4.39Å; F251-F256 AromaticContact CZ-CD2 3.32Å; F251-F256 HydrophobicContact CZ-CD2 3.32Å; F251-F256 HydrophobicContact CZ-CE1 4.49Å; F251-F256 AromaticContact CZ-CE2 3.47Å; F251-F256 HydrophobicContact CZ-CE2 3.47Å; F251-F256 VanDerWaalsContact CZ-CE2 3.47Å; F251-F256 AromaticContact CZ-CG 3.83Å; F251-F256 HydrophobicContact CZ-CG 3.83Å; F251-F256 HydrophobicContact CZ-CZ 4.07Å; N252-F256 PolarHBondContact O-N 2.79Å; T254-F256 PolarHBondContact O-N 2.76Å; F256-Y261 AromaticContact CD1-CE1 3.92Å; F256-Y261 HydrophobicContact CD1-CE1 3.92Å; F256-Y261 AromaticContact CD2-CD1 3.45Å; F256-Y261 HydrophobicContact CD2-CD1 3.45Å; F256-Y261 VanDerWaalsContact CD2-CD1 3.45Å; F256-Y261 AromaticContact CD2-CE1 3.59Å; F256-Y261 HydrophobicContact CD2-CE1 3.59Å; F256-Y261 AromaticContact CE1-CE1 3.86Å; F256-Y261 HydrophobicContact CE1-CE1 3.86Å; F256-Y261 AromaticContact CE2-CD1 3.46Å; F256-Y261 HydrophobicContact CE2-CD1 3.46Å; F256-Y261 VanDerWaalsContact CE2-CD1 3.46Å; F256-Y261 AromaticContact CE2-CE1 3.51Å; F256-Y261 HydrophobicContact CE2-CE1 3.51Å; F256-Y261 HydrophobicContact CG-CD1 4.06Å; F256-Y261 AromaticContact CG-CE1 3.79Å; F256-Y261 HydrophobicContact CG-CE1 3.79Å; F256-Y261 HydrophobicContact CZ-CD1 4.09Å; F256-Y261 AromaticContact CZ-CE1 3.65Å; F256-Y261 HydrophobicContact CZ-CE1 3.65Å; F256-Y261 WeakPolarHBondContact O-CE1 3.5Å; F256-Y261 VanDerWaalsContact O-CZ 3.28Å; F256-Y261 PolarHBondContact O-OH 2.95Å
257N66.1Low66.5Low122 Ų12294.1 Ų94.165%0.65249%0.491SS*.Hα-helixtrans-75.9-32.8177.9-68.4-20.5000112.5L253 T254 G259L253-N257 VanDerWaalsContact O-CB 3.24Å; L253-N257 WeakPolarHBondContact O-CB 3.33Å; L253-N257 PolarHBondContact O-N 3.47Å; L253-N257 PolarHBondContact O-ND2 3.16Å; L253-N257 VanDerWaalsContact O-ND2 3.11Å; T254-N257 PolarHBondContact O-N 2.87Å; N257-G259 PolarHBondContact O-N 3.23Å
258D68.8Low66Low125 Ų12598.1 Ų98.167%0.66850%0.503SS*.THydrogen-bonded Turntrans-75.7-7.1177.5-63-32000112.7T254T254-D258 WeakPolarHBondContact O-CB 3.39Å; T254-D258 VanDerWaalsContact O-CG 3.23Å; T254-D258 PolarHBondContact O-N 3.12Å
259G62.5Low65.9Low37 Ų3797.4 Ų97.438%0.38150%0.501SS..THydrogen-bonded Turntrans93.21.3171.700000115.8F255 N257 Y261F255-G259 PolarHBondContact O-N 3.31Å; N257-G259 PolarHBondContact O-N 3.23Å; G259-Y261 WeakPolarHBondContact O-CD2 3.45Å; G259-Y261 PolarHBondContact O-N 3.15Å
260D65.3Low66.4Low69 Ų6993 Ų9337%0.36948%0.483SS..  trans-85.456.9177-161.6-5.8000112.1F255 I262 Q263F255-D260 HydrophobicContact CD1-CB 4.5Å; F255-D260 PolarHBondContact O-N 2.97Å; D260-I262 PolarHBondContact O-N 2.9Å; D260-Q263 VanDerWaalsContact OD1-CB 3.23Å; D260-Q263 WeakPolarHBondContact OD1-CB 3.43Å; D260-Q263 PolarHBondContact OD1-N 3.35Å; D260-Q263 WeakPolarHBondContact OD2-CB 3.33Å
261Y68.3Low67.4Low120 Ų12086.6 Ų86.647%0.47146%0.455SS..Hα-helixtrans-60.3-28.6176.3-53.2-74.3000112.6F256 G259 V265F256-Y261 AromaticContact CD1-CE1 3.92Å; F256-Y261 HydrophobicContact CD1-CE1 3.92Å; F256-Y261 AromaticContact CD2-CD1 3.45Å; F256-Y261 HydrophobicContact CD2-CD1 3.45Å; F256-Y261 VanDerWaalsContact CD2-CD1 3.45Å; F256-Y261 AromaticContact CD2-CE1 3.59Å; F256-Y261 HydrophobicContact CD2-CE1 3.59Å; F256-Y261 AromaticContact CE1-CE1 3.86Å; F256-Y261 HydrophobicContact CE1-CE1 3.86Å; F256-Y261 AromaticContact CE2-CD1 3.46Å; F256-Y261 HydrophobicContact CE2-CD1 3.46Å; F256-Y261 VanDerWaalsContact CE2-CD1 3.46Å; F256-Y261 AromaticContact CE2-CE1 3.51Å; F256-Y261 HydrophobicContact CE2-CE1 3.51Å; F256-Y261 HydrophobicContact CG-CD1 4.06Å; F256-Y261 AromaticContact CG-CE1 3.79Å; F256-Y261 HydrophobicContact CG-CE1 3.79Å; F256-Y261 HydrophobicContact CZ-CD1 4.09Å; F256-Y261 AromaticContact CZ-CE1 3.65Å; F256-Y261 HydrophobicContact CZ-CE1 3.65Å; F256-Y261 WeakPolarHBondContact O-CE1 3.5Å; F256-Y261 VanDerWaalsContact O-CZ 3.28Å; F256-Y261 PolarHBondContact O-OH 2.95Å; G259-Y261 WeakPolarHBondContact O-CD2 3.45Å; G259-Y261 PolarHBondContact O-N 3.15Å; Y261-V265 WeakPolarHBondContact O-CG2 3.44Å
262I72.4Confident69Low123 Ų12380.3 Ų80.363%0.63143%0.428SS*.Hα-helixtrans-77.7-50.6-172-63.1-179.6000109.7D260 A264 V265 L266D260-I262 PolarHBondContact O-N 2.9Å; I262-A264 PolarHBondContact O-N 3.34Å; I262-V265 PolarHBondContact O-N 3.3Å; I262-V265 VanDerWaalsContact O-N 3.15Å; I262-L266 HydrophobicContact CG2-CD1 3.75Å; I262-L266 HydrophobicContact CG2-CG 4.08Å; I262-L266 WeakPolarHBondContact O-CG 3.47Å; I262-L266 PolarHBondContact O-N 3.21Å
263Q68Low70.6Confident86 Ų8679.9 Ų79.940%0.40243%0.425SS..Hα-helixtrans-62.6-43.9-175.4-168.15943.500111.9D260 V265 L266 D267D260-Q263 VanDerWaalsContact OD1-CB 3.23Å; D260-Q263 WeakPolarHBondContact OD1-CB 3.43Å; D260-Q263 PolarHBondContact OD1-N 3.35Å; D260-Q263 WeakPolarHBondContact OD2-CB 3.33Å; Q263-V265 PolarHBondContact O-N 3.25Å; Q263-L266 PolarHBondContact O-N 2.82Å; Q263-L266 VanDerWaalsContact O-N 3.08Å; Q263-D267 PolarHBondContact NE2-OD1 3.05Å; Q263-D267 VanDerWaalsContact O-CG 3.3Å; Q263-D267 PolarHBondContact O-N 3.31Å
264A66.3Low72.1Confident48 Ų4875 Ų7540%0.39740%0.399SS..Hα-helixtrans-58.7-31.6177.600000113.5I262 R268I262-A264 PolarHBondContact O-N 3.34Å; A264-R268 PolarHBondContact O-N 2.79Å
265V72.5Confident73.7Confident82 Ų8271 Ų7150%0.49738%0.375SS..Hα-helixtrans-82.3-36175.6174.30000111.8Y261 I262 Q263 R268 N269Y261-V265 WeakPolarHBondContact O-CG2 3.44Å; I262-V265 PolarHBondContact O-N 3.3Å; I262-V265 VanDerWaalsContact O-N 3.15Å; Q263-V265 PolarHBondContact O-N 3.25Å; V265-R268 PolarHBondContact O-N 3.46Å; V265-N269 VanDerWaalsContact O-CG 3.28Å; V265-N269 PolarHBondContact O-N 2.98Å; V265-N269 PolarHBondContact O-ND2 3.42Å
266L72.2Confident75.2Confident90 Ų9068.2 Ų68.247%0.47136%0.361SS..Hα-helixtrans-62.7-45.1174.2-71177.9000111.6I262 Q263 R268 N269 S270I262-L266 HydrophobicContact CG2-CD1 3.75Å; I262-L266 HydrophobicContact CG2-CG 4.08Å; I262-L266 WeakPolarHBondContact O-CG 3.47Å; I262-L266 PolarHBondContact O-N 3.21Å; Q263-L266 PolarHBondContact O-N 2.82Å; Q263-L266 VanDerWaalsContact O-N 3.08Å; L266-R268 VanDerWaalsContact C-N 3.34Å; L266-R268 PolarHBondContact O-N 2.75Å; L266-N269 PolarHBondContact O-N 2.8Å; L266-N269 VanDerWaalsContact O-N 3.14Å; L266-S270 WeakPolarHBondContact O-CB 3.23Å; L266-S270 PolarHBondContact O-N 2.8Å
267D70.4Confident76.6Confident85 Ų8566.7 Ų66.746%0.45536%0.359SS..Hα-helixtrans-60.8-44.4177.1-67-19.7000111.1Q263 N269 S270 A271Q263-D267 PolarHBondContact NE2-OD1 3.05Å; Q263-D267 VanDerWaalsContact O-CG 3.3Å; Q263-D267 PolarHBondContact O-N 3.31Å; D267-N269 VanDerWaalsContact C-N 3.28Å; D267-N269 PolarHBondContact O-N 3.33Å; D267-S270 PolarHBondContact O-N 3Å; D267-A271 WeakPolarHBondContact O-CB 3.33Å; D267-A271 PolarHBondContact O-N 3.02Å
268R75.4Confident77.4Confident102 Ų10261.3 Ų61.339%0.38533%0.33SS..Hα-helixtrans-58.9-38.8175.3-153.8-157.274.571.819.4112.1A247 A264 V265 L266 E272A247-R268 HydrophobicContact CB-CB 4.3Å; A247-R268 HydrophobicContact CB-CG 3.48Å; A247-R268 VanDerWaalsContact CB-CG 3.48Å; A264-R268 PolarHBondContact O-N 2.79Å; V265-R268 PolarHBondContact O-N 3.46Å; L266-R268 VanDerWaalsContact C-N 3.34Å; L266-R268 PolarHBondContact O-N 2.75Å; R268-E272 IonicContact CZ-OE1 3.95Å; R268-E272 IonicContact CZ-OE2 2.65Å; R268-E272 IonicContact NH1-OE1 3.6Å; R268-E272 PolarHBondContact NH1-OE1 3Å; R268-E272 IonicContact NH1-OE2 3.21Å; R268-E272 PolarHBondContact NH1-OE2 3.25Å; R268-E272 IonicContact NH2-OE1 3.76Å; R268-E272 IonicContact NH2-OE2 2.75Å; R268-E272 PolarHBondContact NH2-OE2 2.95Å; R268-E272 WeakPolarHBondContact O-CG 3.43Å; R268-E272 PolarHBondContact O-N 2.67Å
269N77.5Confident77.6Confident56 Ų5658.7 Ų58.730%0.29931%0.311SS..Hα-helixtrans-76.1-36.9178.1-70.3-22.7000112.3V265 L266 D267 E272 N273 R276V265-N269 VanDerWaalsContact O-CG 3.28Å; V265-N269 PolarHBondContact O-N 2.98Å; V265-N269 PolarHBondContact O-ND2 3.42Å; L266-N269 PolarHBondContact O-N 2.8Å; L266-N269 VanDerWaalsContact O-N 3.14Å; D267-N269 VanDerWaalsContact C-N 3.28Å; D267-N269 PolarHBondContact O-N 3.33Å; N269-E272 PolarHBondContact O-N 3.43Å; N269-N273 PolarHBondContact O-N 2.82Å; N269-N273 PolarHBondContact O-ND2 2.84Å; N269-N273 PolarHBondContact O-OD1 2.82Å; N269-N273 VanDerWaalsContact O-OD1 3.08Å; N269-R276 PolarHBondContact O-NH2 2.96Å
270S76.5Confident77.9Confident70 Ų7057.9 Ų57.949%0.4930%0.299SS..Hα-helixtrans-61.6-44173.7-170.80000111.5L266 D267 N273L266-S270 WeakPolarHBondContact O-CB 3.23Å; L266-S270 PolarHBondContact O-N 2.8Å; D267-S270 PolarHBondContact O-N 3Å; S270-N273 WeakPolarHBondContact O-CB 3.45Å; S270-N273 PolarHBondContact O-N 3.34Å
271A79.9Confident77.9Confident7 Ų758.1 Ų58.16%0.05830%0.3CS..Hα-helixtrans-57.7-47.3172.400000112.4M218 L220 A247 D267 N273M218-A271 HydrophobicContact CE-CB 4.26Å; L220-A271 HydrophobicContact CD2-CB 3.79Å; L220-A271 WeakPolarHBondContact CD2-O 3.43Å; L220-A271 HydrophobicContact CG-CB 4.45Å; A247-A271 HydrophobicContact CB-CB 3.84Å; D267-A271 WeakPolarHBondContact O-CB 3.33Å; D267-A271 PolarHBondContact O-N 3.02Å; A271-N273 VanDerWaalsContact C-N 3.27Å; A271-N273 PolarHBondContact O-N 3.09Å
272E87.6Confident77.6Confident12 Ų1256.4 Ų56.46%0.05630%0.3CS..Hα-helixtrans-73.2-14.6178.5-69-169.5155.800114.2K246 R268 N269 I274 T275K246-E272 IonicContact NZ-OE1 3.77Å; K246-E272 PolarHBondContact NZ-OE1 3.06Å; K246-E272 IonicContact NZ-OE2 3.61Å; R268-E272 IonicContact CZ-OE1 3.95Å; R268-E272 IonicContact CZ-OE2 2.65Å; R268-E272 IonicContact NH1-OE1 3.6Å; R268-E272 PolarHBondContact NH1-OE1 3Å; R268-E272 IonicContact NH1-OE2 3.21Å; R268-E272 PolarHBondContact NH1-OE2 3.25Å; R268-E272 IonicContact NH2-OE1 3.76Å; R268-E272 IonicContact NH2-OE2 2.75Å; R268-E272 PolarHBondContact NH2-OE2 2.95Å; R268-E272 WeakPolarHBondContact O-CG 3.43Å; R268-E272 PolarHBondContact O-N 2.67Å; N269-E272 PolarHBondContact O-N 3.43Å; E272-I274 PolarHBondContact O-N 3.43Å; E272-I274 VanDerWaalsContact O-N 3.1Å; E272-T275 PolarHBondContact O-N 3.42Å
273N90.6Very high77.2Confident60 Ų6055.2 Ų55.232%0.32130%0.295SS..G310 helixtrans-64.1-19.3-175.9-78.9-18000114.2N269 S270 A271 T275 R276N269-N273 PolarHBondContact O-N 2.82Å; N269-N273 PolarHBondContact O-ND2 2.84Å; N269-N273 PolarHBondContact O-OD1 2.82Å; N269-N273 VanDerWaalsContact O-OD1 3.08Å; S270-N273 WeakPolarHBondContact O-CB 3.45Å; S270-N273 PolarHBondContact O-N 3.34Å; A271-N273 VanDerWaalsContact C-N 3.27Å; A271-N273 PolarHBondContact O-N 3.09Å; N273-T275 PolarHBondContact O-N 3.16Å; N273-R276 WeakPolarHBondContact O-CB 3.5Å; N273-R276 PolarHBondContact O-N 3.05Å; N273-R276 VanDerWaalsContact O-N 3.07Å; N273-R276 PolarHBondContact OD1-NE 3.16Å; N273-R276 PolarHBondContact OD1-NH2 2.97Å; N273-R276 VanDerWaalsContact OD1-NH2 3.15Å
274I93.4Very high77.3Confident2 Ų257.5 Ų57.51%0.0130%0.304CS..G310 helixtrans-51.7-44.2174.1-60.7178.8000110.9F200 L220 A245 E272 L290 K293 Q294 F297F200-I274 HydrophobicContact CE2-CD1 4.01Å; F200-I274 HydrophobicContact CZ-CD1 4.06Å; L220-I274 HydrophobicContact CD1-CD1 3.62Å; A245-I274 HydrophobicContact CB-CB 4.08Å; E272-I274 PolarHBondContact O-N 3.43Å; E272-I274 VanDerWaalsContact O-N 3.1Å; I274-L290 HydrophobicContact CG1-CD1 4.25Å; I274-K293 HydrophobicContact CD1-CB 4.11Å; I274-K293 HydrophobicContact CG1-CB 4.14Å; I274-Q294 HydrophobicContact CG2-CG 4.01Å; I274-Q294 WeakPolarHBondContact O-CG 3.42Å; I274-Q294 PolarHBondContact O-NE2 2.85Å; I274-F297 HydrophobicContact CD1-CD2 4.3Å; I274-F297 HydrophobicContact CG2-CB 3.85Å; I274-F297 HydrophobicContact CG2-CD1 4.14Å; I274-F297 HydrophobicContact CG2-CD2 4.43Å; I274-F297 HydrophobicContact CG2-CG 3.9Å
275T94.9Very high77.4Confident4 Ų460.2 Ų60.23%0.02531%0.306CS..G310 helixtrans-104.927.9179.564.60000112.9L157 Y159 E160 W243 A245 E272 N273 F297L157-T275 HydrophobicContact CB-CG2 4.39Å; L157-T275 HydrophobicContact CD1-CG2 4.47Å; L157-T275 HydrophobicContact CD2-CG2 4.33Å; Y159-T275 CarbonylContact C-O 3.54Å; Y159-T275 WeakPolarHBondContact CA-O 3.39Å; E160-T275 PolarHBondContact N-O 3.38Å; W243-T275 WeakPolarHBondContact O-CG2 3.43Å; A245-T275 HydrophobicContact CB-CG2 3.93Å; A245-T275 PolarHBondContact N-OG1 3.43Å; E272-T275 PolarHBondContact O-N 3.42Å; N273-T275 PolarHBondContact O-N 3.16Å; T275-F297 HydrophobicContact CG2-CD1 4.27Å; T275-F297 HydrophobicContact CG2-CE1 3.94Å
276R91.5Very high77.5Confident48 Ų4862.7 Ų62.718%0.18131%0.312CS..THydrogen-bonded Turntrans-82.3-50.7178.7-158.778.169.7-168.8-0112.7E160 Y161 N269 N273E160-R276 PolarHBondContact N-O 3.42Å; E160-R276 IonicContact OE1-NH1 3.25Å; E160-R276 WeakPolarHBondContact OE2-CD 3.43Å; E160-R276 IonicContact OE2-CZ 3.58Å; E160-R276 IonicContact OE2-NE 3.85Å; E160-R276 IonicContact OE2-NH1 2.67Å; E160-R276 PolarHBondContact OE2-NH1 3.2Å; Y161-R276 HydrophobicContact CD2-CG 4.08Å; Y161-R276 WeakPolarHBondContact CD2-O 3.48Å; Y161-R276 HydrophobicContact CE2-CG 4.1Å; Y161-R276 PolarHBondContact N-O 2.82Å; N269-R276 PolarHBondContact O-NH2 2.96Å; N273-R276 WeakPolarHBondContact O-CB 3.5Å; N273-R276 PolarHBondContact O-N 3.05Å; N273-R276 VanDerWaalsContact O-N 3.07Å; N273-R276 PolarHBondContact OD1-NE 3.16Å; N273-R276 PolarHBondContact OD1-NH2 2.97Å; N273-R276 VanDerWaalsContact OD1-NH2 3.15Å
277V89.1Confident77.8Confident53 Ų5358.8 Ų58.832%0.32129%0.294SS..BIsolated β-bridgetrans-138.1143.6-173.968.40000113Y159 Y279 Q294Y159-V277 VanDerWaalsContact CD1-C 3.46Å; Y159-V277 WeakPolarHBondContact CD1-O 3.33Å; V277-Y279 PolarHBondContact O-N 2.95Å; V277-Q294 PolarHBondContact O-NE2 3.42Å
278L82.1Confident78.5Confident8 Ų859 Ų594%0.04229%0.289CS..SBendtrans-75.1113.6175.7175.462.8000111.1E86 N131 Y159 I163E86-L278 HydrophobicContact CG-CD1 4.36Å; N131-L278 WeakPolarHBondContact OD1-CD2 3.18Å; Y159-L278 HydrophobicContact CD1-CB 4.25Å; Y159-L278 HydrophobicContact CD2-CB 4.09Å; Y159-L278 HydrophobicContact CD2-CD1 4.06Å; Y159-L278 HydrophobicContact CE1-CB 4.43Å; Y159-L278 HydrophobicContact CE1-CD1 4.4Å; Y159-L278 HydrophobicContact CE2-CB 4.29Å; Y159-L278 HydrophobicContact CE2-CD1 3.48Å; Y159-L278 VanDerWaalsContact CE2-CD1 3.48Å; Y159-L278 HydrophobicContact CE2-CG 4.42Å; Y159-L278 HydrophobicContact CG-CB 4.06Å; I163-L278 HydrophobicContact CB-CD2 4.11Å
279Y72.7Confident79.3Confident70 Ų7055.2 Ų55.228%0.27528%0.276SS..SBendtrans57.690.8-174.1-70.3-111.8000113.9E86 N131 V277 R291 H338E86-Y279 HydrophobicContact CG-CE2 4.02Å; E86-Y279 WeakPolarHBondContact OE1-CE2 3.28Å; E86-Y279 PolarHBondContact OE1-OH 3.11Å; N131-Y279 WeakPolarHBondContact ND2-CD2 3.38Å; N131-Y279 VanDerWaalsContact ND2-CE2 3.32Å; N131-Y279 WeakPolarHBondContact ND2-CE2 3.21Å; V277-Y279 PolarHBondContact O-N 2.95Å; Y279-R291 VanDerWaalsContact CZ-NH1 3.32Å; Y279-R291 PolarHBondContact OH-NH2 2.62Å; Y279-R291 VanDerWaalsContact OH-NH2 3.14Å; Y279-H338 PolarHBondContact OH-CE1 3.21Å; Y279-H338 VanDerWaalsContact OH-CE1 3.22Å; Y279-H338 PolarHBondContact OH-NE2 2.93Å; Y279-H338 VanDerWaalsContact OH-NE2 3.12Å
280P69.6Low80Confident20 Ų2054.4 Ų54.413%0.1327%0.271CS..  trans-63.3160.3165.530.7-36.9000111.5D282 L290 R291P280-D282 PolarHBondContact O-N 3.19Å; P280-L290 HydrophobicContact CB-CD2 3.96Å; P280-L290 HydrophobicContact CG-CB 4.2Å; P280-L290 HydrophobicContact CG-CD2 4.03Å; P280-L290 HydrophobicContact CG-CG 4.06Å; P280-R291 HydrophobicContact CG-CB 4.35Å
281N65.9Low80.7Confident74 Ų7451.5 Ų51.540%0.39625%0.249SC..  trans-70.6110.2176.1179.813.1000110.9N283 G287N281-N283 WeakPolarHBondContact OD1-CB 3.18Å; N281-N283 PolarHBondContact OD1-N 2.86Å; N281-N283 PolarHBondContact OD1-ND2 3.24Å; N281-G287 WeakPolarHBondContact O-CA 3.22Å
282D62.1Low81.4Confident85 Ų8551.1 Ų51.146%0.45525%0.246SC..THydrogen-bonded Turntrans-94.49.2-171.862.9-37000114.5P280 F284 R288P280-D282 PolarHBondContact O-N 3.19Å; D282-F284 PolarHBondContact O-N 3.03Å; D282-R288 HydrophobicContact CB-CG 4.08Å; D282-R288 VanDerWaalsContact O-CG 3.3Å; D282-R288 WeakPolarHBondContact O-CG 3.39Å; D282-R288 PolarHBondContact O-NE 3.26Å
283N63.9Low81.8Confident98 Ų9852 Ų5252%0.52425%0.25SC..THydrogen-bonded Turntrans-63-16.8167.6-75.5-20.5000113.1N281N281-N283 WeakPolarHBondContact OD1-CB 3.18Å; N281-N283 PolarHBondContact OD1-N 2.86Å; N281-N283 PolarHBondContact OD1-ND2 3.24Å
284F68.6Low82.1Confident134 Ų13449.1 Ų49.159%0.58823%0.234SC*.SBendtrans-121.5158179.7-54-77.4000111.2D282 E286 G287 R288D282-F284 PolarHBondContact O-N 3.03Å; F284-E286 PolarHBondContact O-N 2.91Å; F284-G287 PolarHBondContact O-N 3.38Å; F284-R288 PolarHBondContact O-N 3.23Å
285F68.7Low82.3Confident104 Ų10449 Ų4946%0.45623%0.234SC..Hα-helixtrans-60.6-44.2-171.3176.8-90.7000112.6G287 R288 E289 L388F285-G287 VanDerWaalsContact C-N 3.26Å; F285-G287 PolarHBondContact O-N 2.98Å; F285-R288 WeakPolarHBondContact O-CB 3.3Å; F285-R288 PolarHBondContact O-N 3.47Å; F285-R288 VanDerWaalsContact O-N 3.1Å; F285-E289 PolarHBondContact O-N 3.31Å; F285-L388 HydrophobicContact CE1-CD1 4.48Å; F285-L388 HydrophobicContact CE2-CD1 3.91Å; F285-L388 HydrophobicContact CZ-CD1 3.71Å
286E74.3Confident82.4Confident134 Ų13448.9 Ų48.963%0.62623%0.233SC*.Hα-helixtrans-62.7-35-178.9-55.281.7176.100111.3F284 L290F284-E286 PolarHBondContact O-N 2.91Å; E286-L290 VanDerWaalsContact O-CB 3.26Å; E286-L290 WeakPolarHBondContact O-CB 3.31Å; E286-L290 PolarHBondContact O-N 2.82Å
287G79.1Confident82.8Confident9 Ų946.6 Ų46.69%0.09323%0.225CC..Hα-helixtrans-68.7-40.2174.200000112.7N281 F284 F285 R291N281-G287 WeakPolarHBondContact O-CA 3.22Å; F284-G287 PolarHBondContact O-N 3.38Å; F285-G287 VanDerWaalsContact C-N 3.26Å; F285-G287 PolarHBondContact O-N 2.98Å; G287-R291 VanDerWaalsContact O-CB 3.31Å; G287-R291 WeakPolarHBondContact O-CB 3.43Å; G287-R291 PolarHBondContact O-N 3.12Å
288R84.8Confident83.2Confident90 Ų9044.1 Ų44.134%0.3421%0.209SC..Hα-helixtrans-64.5-44.9173.9-67.8-179.5-172.7-171.71.8111.6D282 F284 F285 R291 L292 W384 L388D282-R288 HydrophobicContact CB-CG 4.08Å; D282-R288 VanDerWaalsContact O-CG 3.3Å; D282-R288 WeakPolarHBondContact O-CG 3.39Å; D282-R288 PolarHBondContact O-NE 3.26Å; F284-R288 PolarHBondContact O-N 3.23Å; F285-R288 WeakPolarHBondContact O-CB 3.3Å; F285-R288 PolarHBondContact O-N 3.47Å; F285-R288 VanDerWaalsContact O-N 3.1Å; R288-R291 PolarHBondContact O-N 3.13Å; R288-L292 PolarHBondContact O-N 3.35Å; R288-W384 HydrophobicContact CB-CZ3 3.95Å; R288-W384 HydrophobicContact CG-CZ3 4.36Å; R288-L388 HydrophobicContact CB-CD2 4.15Å
289E91.9Very high84Confident22 Ų2243.7 Ų43.710%0.10321%0.207CC..Hα-helixtrans-63.5-45.5176.4-167.5-166.914700111.5Y201 F285 R291 L292 K293 L388 L392Y201-E289 PolarHBondContact OH-OE1 3.39Å; F285-E289 PolarHBondContact O-N 3.31Å; E289-R291 VanDerWaalsContact C-N 3.29Å; E289-R291 PolarHBondContact O-N 3.23Å; E289-L292 PolarHBondContact O-N 2.91Å; E289-K293 HydrophobicContact CG-CD 4.37Å; E289-K293 WeakPolarHBondContact O-CB 3.36Å; E289-K293 WeakPolarHBondContact O-CG 3.3Å; E289-K293 PolarHBondContact O-N 2.87Å; E289-K293 WeakPolarHBondContact OE1-CE 3.49Å; E289-K293 IonicContact OE1-NZ 3.51Å; E289-K293 PolarHBondContact OE1-NZ 3.05Å; E289-L388 HydrophobicContact CB-CD1 3.88Å; E289-L388 HydrophobicContact CG-CD1 3.92Å; E289-L392 HydrophobicContact CG-CD1 4.45Å
290L91.9Very high85.2Confident39 Ų3940.4 Ų40.420%0.20419%0.194CC..Hα-helixtrans-62.4-36.8176.6-176.659.2000112I274 P280 E286 K293 Q294I274-L290 HydrophobicContact CG1-CD1 4.25Å; P280-L290 HydrophobicContact CB-CD2 3.96Å; P280-L290 HydrophobicContact CG-CB 4.2Å; P280-L290 HydrophobicContact CG-CD2 4.03Å; P280-L290 HydrophobicContact CG-CG 4.06Å; E286-L290 VanDerWaalsContact O-CB 3.26Å; E286-L290 WeakPolarHBondContact O-CB 3.31Å; E286-L290 PolarHBondContact O-N 2.82Å; L290-K293 WeakPolarHBondContact O-CB 3.41Å; L290-K293 PolarHBondContact O-N 3.32Å; L290-Q294 WeakPolarHBondContact O-CG 3.35Å; L290-Q294 PolarHBondContact O-N 3.02Å
291R91.9Very high86.6Confident8 Ų839.4 Ų39.43%0.0319%0.188CC..Hα-helixtrans-65.9-44.4173.8177.157.8179.4-166.5-3.8112.2Y279 P280 G287 R288 E289 K293 Q294 Q295 H338 E382 W384Y279-R291 VanDerWaalsContact CZ-NH1 3.32Å; Y279-R291 PolarHBondContact OH-NH2 2.62Å; Y279-R291 VanDerWaalsContact OH-NH2 3.14Å; P280-R291 HydrophobicContact CG-CB 4.35Å; G287-R291 VanDerWaalsContact O-CB 3.31Å; G287-R291 WeakPolarHBondContact O-CB 3.43Å; G287-R291 PolarHBondContact O-N 3.12Å; R288-R291 PolarHBondContact O-N 3.13Å; E289-R291 VanDerWaalsContact C-N 3.29Å; E289-R291 PolarHBondContact O-N 3.23Å; R291-K293 VanDerWaalsContact C-N 3.33Å; R291-Q294 WeakPolarHBondContact O-CB 3.29Å; R291-Q294 PolarHBondContact O-N 3.47Å; R291-Q295 WeakPolarHBondContact O-CG 3.35Å; R291-Q295 PolarHBondContact O-N 3.47Å; R291-Q295 VanDerWaalsContact O-N 3.16Å; R291-H338 PolarHBondContact NH2-CD2 3.28Å; R291-H338 PolarHBondContact NH2-NE2 2.86Å; R291-E382 IonicContact NE-OE1 3.78Å; R291-E382 IonicContact NH2-OE1 2.72Å; R291-W384 HydrophobicContact CB-CH2 3.97Å; R291-W384 HydrophobicContact CG-CH2 3.61Å; R291-W384 HydrophobicContact CG-CZ2 3.83Å
292L95Very high88.2Confident0 Ų035.9 Ų35.90%017%0.169CC..Hα-helixtrans-65.3-37.7175.3-173.664.2000111.7R288 E289 Q295 Y296 L341 W384 L388 L389 L392R288-L292 PolarHBondContact O-N 3.35Å; E289-L292 PolarHBondContact O-N 2.91Å; L292-Q295 PolarHBondContact O-N 3.46Å; L292-Y296 PolarHBondContact O-N 2.79Å; L292-L341 HydrophobicContact CD1-CD1 3.91Å; L292-W384 HydrophobicContact CB-CZ2 4.5Å; L292-W384 HydrophobicContact CD1-CD2 4.04Å; L292-W384 HydrophobicContact CD1-CG 3.99Å; L292-L388 HydrophobicContact CD2-CD2 3.99Å; L292-L388 HydrophobicContact CD2-CG 3.82Å; L292-L389 HydrophobicContact CD1-CD2 4.2Å; L292-L389 HydrophobicContact CD2-CD2 3.99Å; L292-L389 HydrophobicContact CD2-CG 4.23Å; L292-L392 HydrophobicContact CB-CD2 4.11Å; L292-L392 HydrophobicContact CD2-CD2 3.75Å; L292-L392 HydrophobicContact CG-CD2 3.79Å
293K96Very high89.9Confident29 Ų2931.9 Ų31.913%0.12615%0.148CC..Hα-helixtrans-58.3-44.9170.7-78169.3165.3164.90111.9F200 Y201 I274 E289 L290 R291 Q295 Y296 F297 L392F200-K293 HydrophobicContact CD1-CG 4.12Å; F200-K293 HydrophobicContact CE1-CB 4.1Å; F200-K293 HydrophobicContact CE1-CG 3.79Å; F200-K293 HydrophobicContact CZ-CB 4.35Å; F200-K293 HydrophobicContact CZ-CG 4.35Å; Y201-K293 WeakPolarHBondContact OH-CE 2.99Å; Y201-K293 PolarHBondContact OH-NZ 3.33Å; I274-K293 HydrophobicContact CD1-CB 4.11Å; I274-K293 HydrophobicContact CG1-CB 4.14Å; E289-K293 HydrophobicContact CG-CD 4.37Å; E289-K293 WeakPolarHBondContact O-CB 3.36Å; E289-K293 WeakPolarHBondContact O-CG 3.3Å; E289-K293 PolarHBondContact O-N 2.87Å; E289-K293 WeakPolarHBondContact OE1-CE 3.49Å; E289-K293 IonicContact OE1-NZ 3.51Å; E289-K293 PolarHBondContact OE1-NZ 3.05Å; L290-K293 WeakPolarHBondContact O-CB 3.41Å; L290-K293 PolarHBondContact O-N 3.32Å; R291-K293 VanDerWaalsContact C-N 3.33Å; K293-Q295 PolarHBondContact O-N 3.06Å; K293-Y296 PolarHBondContact O-N 2.72Å; K293-F297 WeakPolarHBondContact O-CB 3.43Å; K293-F297 PolarHBondContact O-N 3.3Å; K293-L392 HydrophobicContact CD-CD1 4.4Å; K293-L392 HydrophobicContact CG-CD1 3.93Å; K293-L392 HydrophobicContact CG-CD2 3.81Å; K293-L392 HydrophobicContact CG-CG 4.49Å
294Q96.2Very high91.6Very high0 Ų029.4 Ų29.40%013%0.133CC..Hα-helixtrans-57.6-46175-77.8179.3-6.100112.5L85 L157 I274 V277 L290 R291 L298L85-Q294 HydrophobicContact CD2-CB 4.05Å; L157-Q294 HydrophobicContact CD1-CB 3.85Å; L157-Q294 HydrophobicContact CD1-CG 3.98Å; I274-Q294 HydrophobicContact CG2-CG 4.01Å; I274-Q294 WeakPolarHBondContact O-CG 3.42Å; I274-Q294 PolarHBondContact O-NE2 2.85Å; V277-Q294 PolarHBondContact O-NE2 3.42Å; L290-Q294 WeakPolarHBondContact O-CG 3.35Å; L290-Q294 PolarHBondContact O-N 3.02Å; R291-Q294 WeakPolarHBondContact O-CB 3.29Å; R291-Q294 PolarHBondContact O-N 3.47Å; Q294-L298 PolarHBondContact O-N 3.03Å; Q294-L298 VanDerWaalsContact O-N 3.13Å
295Q97.5Very high93Very high0 Ų023 Ų230%011%0.105CC..Hα-helixtrans-62.6-51.1179.9-69.1179.5-14.200111.7L85 R291 L292 K293 V299 H338 L341 E382L85-Q295 HydrophobicContact CD1-CG 4.28Å; L85-Q295 HydrophobicContact CD2-CG 3.8Å; R291-Q295 WeakPolarHBondContact O-CG 3.35Å; R291-Q295 PolarHBondContact O-N 3.47Å; R291-Q295 VanDerWaalsContact O-N 3.16Å; L292-Q295 PolarHBondContact O-N 3.46Å; K293-Q295 PolarHBondContact O-N 3.06Å; Q295-V299 WeakPolarHBondContact O-CB 3.46Å; Q295-V299 VanDerWaalsContact O-CG2 3.32Å; Q295-V299 WeakPolarHBondContact O-CG2 3.37Å; Q295-V299 PolarHBondContact O-N 3.26Å; Q295-H338 WeakPolarHBondContact CB-O 3.39Å; Q295-H338 WeakPolarHBondContact CG-O 3.4Å; Q295-L341 HydrophobicContact CB-CD1 4.3Å; Q295-E382 PolarHBondContact NE2-OE1 2.9Å; Q295-E382 PolarHBondContact NE2-OE2 2.94Å
296Y98.5Very high94.4Very high2 Ų218.1 Ų18.11%0.0088%0.083CC..Hα-helixtrans-66.1-40179.7-174.9-107.1000112.8I198 N199 F200 W214 L292 K293 L298 V299 A300 L341 E345 L393 H396I198-Y296 HydrophobicContact CG2-CD1 4.28Å; I198-Y296 HydrophobicContact CG2-CE1 4.07Å; N199-Y296 VanDerWaalsContact O-CE1 3.28Å; N199-Y296 WeakPolarHBondContact O-CE1 3.47Å; F200-Y296 HydrophobicContact CD1-CD1 4.19Å; F200-Y296 AromaticContact CE1-CD1 3.61Å; F200-Y296 HydrophobicContact CE1-CD1 3.61Å; F200-Y296 HydrophobicContact CE1-CG 4.34Å; F200-Y296 AromaticContact CZ-CD1 3.91Å; F200-Y296 HydrophobicContact CZ-CD1 3.91Å; W214-Y296 HydrophobicContact CH2-CE1 4.14Å; W214-Y296 WeakPolarHBondContact CZ3-OH 3.27Å; L292-Y296 PolarHBondContact O-N 2.79Å; K293-Y296 PolarHBondContact O-N 2.72Å; Y296-L298 PolarHBondContact O-N 3.47Å; Y296-V299 PolarHBondContact O-N 3.22Å; Y296-V299 VanDerWaalsContact O-N 3.15Å; Y296-A300 HydrophobicContact CD1-CB 4.37Å; Y296-A300 HydrophobicContact CE1-CB 3.8Å; Y296-A300 HydrophobicContact CE2-CB 4.01Å; Y296-A300 WeakPolarHBondContact O-CB 3.49Å; Y296-A300 PolarHBondContact O-N 3.17Å; Y296-L341 HydrophobicContact CD2-CD1 4.24Å; Y296-E345 HydrophobicContact CE2-CB 4.36Å; Y296-E345 HydrophobicContact CE2-CG 4.37Å; Y296-E345 PolarHBondContact OH-OE2 2.92Å; Y296-E345 VanDerWaalsContact OH-OE2 3.12Å; Y296-L393 HydrophobicContact CD1-CD2 3.56Å; Y296-L393 HydrophobicContact CD2-CD1 3.93Å; Y296-L393 HydrophobicContact CD2-CD2 3.86Å; Y296-L393 HydrophobicContact CE1-CD2 3.81Å; Y296-L393 HydrophobicContact CE2-CD2 4.12Å; Y296-L393 HydrophobicContact CG-CD1 3.9Å; Y296-L393 HydrophobicContact CG-CD2 3.58Å; Y296-L393 HydrophobicContact CG-CG 4.41Å; Y296-H396 AromaticContact CE2-CD2 3.97Å; Y296-H396 AromaticContact CE2-CE1 3.48Å; Y296-H396 VanDerWaalsContact CE2-CE1 3.48Å; Y296-H396 WeakPolarHBondContact CE2-CE1 3.21Å; Y296-H396 AromaticContact CE2-NE2 3.26Å; Y296-H396 VanDerWaalsContact CE2-NE2 3.26Å; Y296-H396 WeakPolarHBondContact CE2-NE2 3.01Å; Y296-H396 AromaticContact CZ-CE1 3.59Å; Y296-H396 AromaticContact CZ-NE2 3.73Å; Y296-H396 PolarHBondContact OH-CE1 2.98Å
297F98.3Very high95.5Very high0 Ų012.3 Ų12.30%06%0.057CC..Hα-helixtrans-61-44.2179.2-174.1-93.9000112.4L157 I198 F200 A222 W243 A245 I274 T275 K293 V299 A301L157-F297 HydrophobicContact CD2-CD1 3.76Å; L157-F297 HydrophobicContact CD2-CE1 4.31Å; I198-F297 HydrophobicContact CB-CD2 4.15Å; I198-F297 HydrophobicContact CB-CE2 4.32Å; I198-F297 HydrophobicContact CG1-CD2 3.96Å; I198-F297 HydrophobicContact CG1-CE2 3.88Å; I198-F297 HydrophobicContact CG2-CD2 3.96Å; F200-F297 HydrophobicContact CE2-CD2 4.36Å; F200-F297 HydrophobicContact CZ-CB 4.2Å; F200-F297 HydrophobicContact CZ-CD2 4.49Å; A222-F297 HydrophobicContact CB-CE1 4.11Å; A222-F297 HydrophobicContact CB-CE2 4.07Å; A222-F297 HydrophobicContact CB-CZ 3.58Å; W243-F297 HydrophobicContact CB-CD1 4.43Å; W243-F297 HydrophobicContact CB-CE1 3.83Å; A245-F297 VanDerWaalsContact CA-CZ 3.47Å; A245-F297 HydrophobicContact CB-CE1 4.27Å; A245-F297 HydrophobicContact CB-CE2 4.15Å; A245-F297 HydrophobicContact CB-CZ 3.8Å; I274-F297 HydrophobicContact CD1-CD2 4.3Å; I274-F297 HydrophobicContact CG2-CB 3.85Å; I274-F297 HydrophobicContact CG2-CD1 4.14Å; I274-F297 HydrophobicContact CG2-CD2 4.43Å; I274-F297 HydrophobicContact CG2-CG 3.9Å; T275-F297 HydrophobicContact CG2-CD1 4.27Å; T275-F297 HydrophobicContact CG2-CE1 3.94Å; K293-F297 WeakPolarHBondContact O-CB 3.43Å; K293-F297 PolarHBondContact O-N 3.3Å; F297-V299 VanDerWaalsContact C-N 3.35Å; F297-A301 WeakPolarHBondContact O-CB 3.43Å; F297-A301 PolarHBondContact O-N 3.23Å
298L98.5Very high96.3Very high0 Ų015.7 Ų15.70%07%0.067CC..Hα-helixtrans-56.6-51.6171.6171.759.7000110.8L85 L157 Q294 Y296 T302L85-L298 HydrophobicContact CD1-CB 4.42Å; L85-L298 HydrophobicContact CD1-CD2 3.42Å; L85-L298 VanDerWaalsContact CD1-CD2 3.42Å; L85-L298 HydrophobicContact CG-CD2 4.3Å; L157-L298 HydrophobicContact CD2-CB 3.86Å; L157-L298 HydrophobicContact CD2-CD1 4.36Å; L157-L298 HydrophobicContact CG-CB 4.3Å; Q294-L298 PolarHBondContact O-N 3.03Å; Q294-L298 VanDerWaalsContact O-N 3.13Å; Y296-L298 PolarHBondContact O-N 3.47Å; L298-T302 WeakPolarHBondContact O-CB 3.19Å; L298-T302 PolarHBondContact O-N 3.39Å; L298-T302 VanDerWaalsContact O-N 3.07Å; L298-T302 PolarHBondContact O-OG1 2.86Å
299V98.7Very high96.7Very high0 Ų012.9 Ų12.90%06%0.056CC..Hα-helixtrans-63-53.9-172.61600000111.9Q295 Y296 F297 A301 T302 L303 P339 L341 A342 E345Q295-V299 WeakPolarHBondContact O-CB 3.46Å; Q295-V299 VanDerWaalsContact O-CG2 3.32Å; Q295-V299 WeakPolarHBondContact O-CG2 3.37Å; Q295-V299 PolarHBondContact O-N 3.26Å; Y296-V299 PolarHBondContact O-N 3.22Å; Y296-V299 VanDerWaalsContact O-N 3.15Å; F297-V299 VanDerWaalsContact C-N 3.35Å; V299-A301 PolarHBondContact O-N 3.5Å; V299-T302 PolarHBondContact O-N 3.4Å; V299-L303 HydrophobicContact CG1-CD1 3.92Å; V299-L303 PolarHBondContact O-N 2.94Å; V299-P339 HydrophobicContact CG2-CB 4.22Å; V299-L341 HydrophobicContact CG1-CB 4.39Å; V299-L341 HydrophobicContact CG2-CB 4.38Å; V299-A342 VanDerWaalsContact CG1-CA 3.42Å; V299-A342 HydrophobicContact CG1-CB 3.96Å; V299-A342 HydrophobicContact CG2-CB 4.11Å; V299-E345 HydrophobicContact CG1-CB 3.73Å; V299-E345 HydrophobicContact CG1-CG 3.97Å
300A98.7Very high96.9Very high0 Ų012.1 Ų12.10%05%0.053CC..Hα-helixtrans-67.5-35.9-173.500000112.5I198 Y296 Q304 E345I198-A300 HydrophobicContact CD1-CB 3.85Å; I198-A300 HydrophobicContact CG2-CB 4.23Å; Y296-A300 HydrophobicContact CD1-CB 4.37Å; Y296-A300 HydrophobicContact CE1-CB 3.8Å; Y296-A300 HydrophobicContact CE2-CB 4.01Å; Y296-A300 WeakPolarHBondContact O-CB 3.49Å; Y296-A300 PolarHBondContact O-N 3.17Å; A300-Q304 WeakPolarHBondContact O-CB 3.17Å; A300-Q304 VanDerWaalsContact O-CG 3.27Å; A300-Q304 WeakPolarHBondContact O-CG 3.3Å; A300-Q304 PolarHBondContact O-N 3.08Å; A300-Q304 PolarHBondContact O-NE2 2.7Å; A300-E345 HydrophobicContact CB-CG 4.45Å
301A98.7Very high96.8Very high0 Ų016 Ų160%07%0.065CC..Hα-helixtrans-68.6-43.6174.300000111.1L196 I198 A222 W243 F297 V299 D305L196-A301 WeakPolarHBondContact CD1-O 3.29Å; I198-A301 HydrophobicContact CD1-CB 3.69Å; I198-A301 VanDerWaalsContact CD1-N 3.33Å; A222-A301 HydrophobicContact CB-CB 3.5Å; A222-A301 VanDerWaalsContact CB-CB 3.5Å; W243-A301 HydrophobicContact CD2-CB 3.52Å; W243-A301 VanDerWaalsContact CE2-CB 3.41Å; W243-A301 HydrophobicContact CE3-CB 3.94Å; W243-A301 HydrophobicContact CG-CB 3.88Å; W243-A301 HydrophobicContact CH2-CB 4.18Å; W243-A301 VanDerWaalsContact CZ2-C 3.45Å; W243-A301 HydrophobicContact CZ2-CB 3.78Å; W243-A301 VanDerWaalsContact CZ2-O 3.27Å; W243-A301 WeakPolarHBondContact CZ2-O 3.3Å; W243-A301 HydrophobicContact CZ3-CB 4.22Å; F297-A301 WeakPolarHBondContact O-CB 3.43Å; F297-A301 PolarHBondContact O-N 3.23Å; V299-A301 PolarHBondContact O-N 3.5Å; A301-D305 PolarHBondContact O-N 2.92Å; A301-D305 VanDerWaalsContact O-N 3.08Å
302T98.9Very high96.7Very high0 Ų019.1 Ų19.10%09%0.085CC..Hα-helixtrans-65.5-47.8-178.9-59.90000112.3L83 Y155 W243 L298 V299 D305 I306L83-T302 HydrophobicContact CD1-CG2 3.72Å; L83-T302 HydrophobicContact CD2-CG2 4.07Å; L83-T302 HydrophobicContact CG-CG2 3.9Å; Y155-T302 HydrophobicContact CD1-CG2 3.46Å; Y155-T302 VanDerWaalsContact CD1-CG2 3.46Å; Y155-T302 VanDerWaalsContact CD1-OG1 3.26Å; Y155-T302 WeakPolarHBondContact CD1-OG1 3.16Å; Y155-T302 HydrophobicContact CD2-CG2 3.97Å; Y155-T302 HydrophobicContact CE1-CG2 3.9Å; Y155-T302 HydrophobicContact CE2-CG2 4.4Å; Y155-T302 HydrophobicContact CG-CG2 3.45Å; Y155-T302 VanDerWaalsContact CG-CG2 3.45Å; W243-T302 PolarHBondContact NE1-OG1 3.41Å; L298-T302 WeakPolarHBondContact O-CB 3.19Å; L298-T302 PolarHBondContact O-N 3.39Å; L298-T302 VanDerWaalsContact O-N 3.07Å; L298-T302 PolarHBondContact O-OG1 2.86Å; V299-T302 PolarHBondContact O-N 3.4Å; T302-D305 PolarHBondContact O-N 3.31Å; T302-I306 HydrophobicContact CG2-CD1 3.7Å; T302-I306 HydrophobicContact CG2-CG1 4.4Å; T302-I306 VanDerWaalsContact O-CG1 3.27Å; T302-I306 WeakPolarHBondContact O-CG1 3.32Å; T302-I306 PolarHBondContact O-N 2.93Å
303L98.8Very high96.2Very high0 Ų020.4 Ų20.40%09%0.09CC..Hα-helixtrans-66.5-40-179.4-74174000112.3V299 D305 I306 V307 I332 A342 E345 L346 L349 F369V299-L303 HydrophobicContact CG1-CD1 3.92Å; V299-L303 PolarHBondContact O-N 2.94Å; L303-D305 VanDerWaalsContact C-N 3.34Å; L303-D305 PolarHBondContact O-N 2.77Å; L303-I306 PolarHBondContact O-N 2.72Å; L303-V307 WeakPolarHBondContact O-CB 3.26Å; L303-V307 WeakPolarHBondContact O-CG2 3.39Å; L303-V307 PolarHBondContact O-N 3.18Å; L303-I332 HydrophobicContact CD2-CD1 3.58Å; L303-A342 HydrophobicContact CD1-CB 4.04Å; L303-A342 WeakPolarHBondContact CD1-O 3.31Å; L303-E345 HydrophobicContact CD1-CB 3.78Å; L303-E345 HydrophobicContact CD1-CG 3.6Å; L303-L346 HydrophobicContact CD1-CB 4.09Å; L303-L346 HydrophobicContact CD2-CB 4.45Å; L303-L349 HydrophobicContact CB-CD1 3.84Å; L303-F369 HydrophobicContact CD2-CZ 4.37Å
304Q98.6Very high95.4Very high47 Ų4724.1 Ų24.122%0.2211%0.106CC..Hα-helixtrans-59.4-43.3171.9-76.9-179.985.700111.9L196 P197 A300 V307 R308L196-Q304 HydrophobicContact CD1-CB 3.87Å; P197-Q304 PolarHBondContact O-NE2 3.16Å; A300-Q304 WeakPolarHBondContact O-CB 3.17Å; A300-Q304 VanDerWaalsContact O-CG 3.27Å; A300-Q304 WeakPolarHBondContact O-CG 3.3Å; A300-Q304 PolarHBondContact O-N 3.08Å; A300-Q304 PolarHBondContact O-NE2 2.7Å; Q304-V307 PolarHBondContact O-N 2.98Å; Q304-R308 WeakPolarHBondContact O-CB 3.18Å; Q304-R308 PolarHBondContact O-N 2.93Å
305D98.6Very high94.5Very high0 Ų026.9 Ų26.90%012%0.121CC..Hα-helixtrans-68.3-35.1177.8-168.444000113.1Y155 L196 R241 W243 A301 T302 L303 R308 R309Y155-D305 HydrophobicContact CE1-CB 4.46Å; Y155-D305 PolarHBondContact OH-OD2 3.12Å; L196-D305 HydrophobicContact CD1-CB 4.03Å; R241-D305 IonicContact CZ-OD2 3.57Å; R241-D305 IonicContact NE-OD2 3.23Å; R241-D305 VanDerWaalsContact NH1-CG 3.31Å; R241-D305 IonicContact NH1-OD1 3.18Å; R241-D305 PolarHBondContact NH1-OD1 3.44Å; R241-D305 IonicContact NH1-OD2 3.67Å; R241-D305 PolarHBondContact NH1-OD2 3.36Å; W243-D305 HydrophobicContact CH2-CB 3.94Å; W243-D305 HydrophobicContact CZ2-CB 3.91Å; A301-D305 PolarHBondContact O-N 2.92Å; A301-D305 VanDerWaalsContact O-N 3.08Å; T302-D305 PolarHBondContact O-N 3.31Å; L303-D305 VanDerWaalsContact C-N 3.34Å; L303-D305 PolarHBondContact O-N 2.77Å; D305-R308 IonicContact OD1-CZ 3.54Å; D305-R308 VanDerWaalsContact OD1-CZ 3.22Å; D305-R308 IonicContact OD1-NE 2.72Å; D305-R308 PolarHBondContact OD1-NE 3.24Å; D305-R308 IonicContact OD1-NH2 2.75Å; D305-R308 PolarHBondContact OD1-NH2 3.23Å; D305-R309 WeakPolarHBondContact O-CB 3.38Å; D305-R309 PolarHBondContact O-N 2.98Å; D305-R309 IonicContact OD1-NH2 2.62Å; D305-R309 IonicContact OD2-CZ 3.94Å; D305-R309 IonicContact OD2-NH1 2.71Å; D305-R309 IonicContact OD2-NH2 2.99Å; D305-R309 PolarHBondContact OD2-NH2 3.5Å
306I98.3Very high93.4Very high0 Ų033 Ų330%016%0.164CC..Hα-helixtrans-65.4-49.4173.1-69.7167.4000110.5Y81 T302 L303 R308 R309 Y310 F326 V330 I332Y81-I306 HydrophobicContact CD1-CD1 3.84Å; Y81-I306 HydrophobicContact CD1-CG1 3.78Å; Y81-I306 HydrophobicContact CD2-CD1 3.82Å; Y81-I306 HydrophobicContact CD2-CG1 4.05Å; Y81-I306 HydrophobicContact CD2-CG2 4.26Å; Y81-I306 HydrophobicContact CE1-CD1 4.38Å; Y81-I306 HydrophobicContact CE1-CG1 3.82Å; Y81-I306 HydrophobicContact CE2-CD1 4.33Å; Y81-I306 HydrophobicContact CE2-CG1 4.06Å; Y81-I306 HydrophobicContact CE2-CG2 3.89Å; Y81-I306 HydrophobicContact CG-CD1 3.51Å; Y81-I306 HydrophobicContact CG-CG1 3.88Å; T302-I306 HydrophobicContact CG2-CD1 3.7Å; T302-I306 HydrophobicContact CG2-CG1 4.4Å; T302-I306 VanDerWaalsContact O-CG1 3.27Å; T302-I306 WeakPolarHBondContact O-CG1 3.32Å; T302-I306 PolarHBondContact O-N 2.93Å; L303-I306 PolarHBondContact O-N 2.72Å; I306-R308 VanDerWaalsContact C-N 3.34Å; I306-R308 PolarHBondContact O-N 3Å; I306-R309 PolarHBondContact O-N 2.91Å; I306-Y310 WeakPolarHBondContact O-CB 3.15Å; I306-Y310 PolarHBondContact O-N 3.22Å; I306-F326 HydrophobicContact CG2-CE2 4.43Å; I306-F326 HydrophobicContact CG2-CZ 3.95Å; I306-V330 HydrophobicContact CG2-CG1 3.71Å; I306-V330 HydrophobicContact CG2-CG2 4.13Å; I306-I332 HydrophobicContact CD1-CD1 4.01Å; I306-I332 HydrophobicContact CD1-CG1 4.36Å
307V96.8Very high92.4Very high13 Ų1341 Ų418%0.07920%0.198CC..Hα-helixtrans-62.5-41.2178.1170.80000110.9L303 Q304 Y310 R311 F323 F326L303-V307 WeakPolarHBondContact O-CB 3.26Å; L303-V307 WeakPolarHBondContact O-CG2 3.39Å; L303-V307 PolarHBondContact O-N 3.18Å; Q304-V307 PolarHBondContact O-N 2.98Å; V307-Y310 WeakPolarHBondContact O-CB 3.39Å; V307-Y310 PolarHBondContact O-N 2.8Å; V307-R311 HydrophobicContact CG1-CG 4.32Å; V307-R311 WeakPolarHBondContact O-CB 3.3Å; V307-R311 VanDerWaalsContact O-CG 3.25Å; V307-R311 WeakPolarHBondContact O-CG 3.22Å; V307-R311 PolarHBondContact O-N 2.92Å; V307-F323 HydrophobicContact CG1-CE1 4.26Å; V307-F323 HydrophobicContact CG1-CZ 3.99Å; V307-F323 HydrophobicContact CG2-CE1 4.46Å; V307-F326 HydrophobicContact CG2-CE2 4.13Å; V307-F326 HydrophobicContact CG2-CZ 4.13Å
308R95Very high91.4Very high80 Ų8042.7 Ų42.730%0.30222%0.216SC..Hα-helixtrans-58.7-47.5172.5-175.7-16973.287-1.6112.1Q304 D305 I306 R311 T312Q304-R308 WeakPolarHBondContact O-CB 3.18Å; Q304-R308 PolarHBondContact O-N 2.93Å; D305-R308 IonicContact OD1-CZ 3.54Å; D305-R308 VanDerWaalsContact OD1-CZ 3.22Å; D305-R308 IonicContact OD1-NE 2.72Å; D305-R308 PolarHBondContact OD1-NE 3.24Å; D305-R308 IonicContact OD1-NH2 2.75Å; D305-R308 PolarHBondContact OD1-NH2 3.23Å; I306-R308 VanDerWaalsContact C-N 3.34Å; I306-R308 PolarHBondContact O-N 3Å; R308-R311 PolarHBondContact O-N 3.05Å; R308-T312 PolarHBondContact O-N 2.92Å; R308-T312 PolarHBondContact O-OG1 2.92Å
309R94.7Very high90.6Very high30 Ų3047 Ų4711%0.11324%0.239CC..Hα-helixtrans-64.4-39.8177.4-169.9-179.6-64.498.76.7111.4Y81 Y155 D305 I306 T312 Y313Y81-R309 WeakPolarHBondContact OH-CD 3.46Å; Y81-R309 PolarHBondContact OH-NH1 3.35Å; Y155-R309 PolarHBondContact OH-NH1 3.18Å; Y155-R309 PolarHBondContact OH-NH2 2.87Å; D305-R309 WeakPolarHBondContact O-CB 3.38Å; D305-R309 PolarHBondContact O-N 2.98Å; D305-R309 IonicContact OD1-NH2 2.62Å; D305-R309 IonicContact OD2-CZ 3.94Å; D305-R309 IonicContact OD2-NH1 2.71Å; D305-R309 IonicContact OD2-NH2 2.99Å; D305-R309 PolarHBondContact OD2-NH2 3.5Å; I306-R309 PolarHBondContact O-N 2.91Å; R309-T312 WeakPolarHBondContact O-CB 3.05Å; R309-T312 PolarHBondContact O-N 3Å; R309-Y313 WeakPolarHBondContact O-CD2 3.25Å; R309-Y313 VanDerWaalsContact O-CE2 3.26Å; R309-Y313 WeakPolarHBondContact O-CE2 3.41Å
310Y94.9Very high89.8Confident7 Ų755.3 Ų55.33%0.02727%0.27CS..Hα-helixtrans-63.1-49.6176.1-178.7-95.2000112.4I306 V307 T312 Y313 R321 S322 F323 H325 F326 K329 V330I306-Y310 WeakPolarHBondContact O-CB 3.15Å; I306-Y310 PolarHBondContact O-N 3.22Å; V307-Y310 WeakPolarHBondContact O-CB 3.39Å; V307-Y310 PolarHBondContact O-N 2.8Å; Y310-T312 PolarHBondContact O-N 2.74Å; Y310-T312 VanDerWaalsContact O-N 3.13Å; Y310-Y313 PolarHBondContact O-N 2.94Å; Y310-R321 HydrophobicContact CE1-CB 4.32Å; Y310-R321 HydrophobicContact CE1-CG 4.14Å; Y310-R321 HydrophobicContact CE2-CG 4.46Å; Y310-R321 VanDerWaalsContact CZ-CD 3.46Å; Y310-R321 WeakPolarHBondContact OH-CD 3.46Å; Y310-R321 WeakPolarHBondContact OH-CG 3.38Å; Y310-S322 PolarHBondContact OH-O 3.09Å; Y310-F323 HydrophobicContact CD1-CD1 4.47Å; Y310-F323 HydrophobicContact CD1-CE1 4.32Å; Y310-F323 HydrophobicContact CE1-CD1 4.16Å; Y310-F323 HydrophobicContact CE1-CE1 4.44Å; Y310-H325 WeakPolarHBondContact CE2-O 3.47Å; Y310-H325 PolarHBondContact OH-O 3.42Å; Y310-F326 AromaticContact CD1-CD2 3.79Å; Y310-F326 HydrophobicContact CD1-CD2 3.79Å; Y310-F326 HydrophobicContact CD1-CE2 4.21Å; Y310-F326 AromaticContact CD2-CD2 3.68Å; Y310-F326 HydrophobicContact CD2-CD2 3.68Å; Y310-F326 HydrophobicContact CD2-CE2 4.17Å; Y310-F326 AromaticContact CE1-CD2 3.91Å; Y310-F326 HydrophobicContact CE1-CD2 3.91Å; Y310-F326 HydrophobicContact CE2-CB 4.25Å; Y310-F326 AromaticContact CE2-CD2 3.8Å; Y310-F326 HydrophobicContact CE2-CD2 3.8Å; Y310-F326 HydrophobicContact CE2-CG 4.39Å; Y310-F326 AromaticContact CG-CD2 3.65Å; Y310-F326 HydrophobicContact CG-CD2 3.65Å; Y310-F326 AromaticContact CG-CE2 3.89Å; Y310-F326 HydrophobicContact CG-CE2 3.89Å; Y310-F326 AromaticContact CZ-CD2 3.89Å; Y310-F326 PolarHBondContact OH-N 3.22Å; Y310-F326 VanDerWaalsContact OH-N 3.15Å; Y310-K329 HydrophobicContact CD2-CB 4.17Å; Y310-K329 HydrophobicContact CE2-CB 3.91Å; Y310-K329 HydrophobicContact CE2-CG 4.3Å; Y310-V330 HydrophobicContact CD2-CG2 4.02Å
311R90.7Very high89.2Confident120 Ų12057.3 Ų57.345%0.45328%0.278SS..Hα-helixtrans-60.7-18.7177.8-76.9173.7166.1-106.1-56.5114.6V307 R308 Y313 W320 E354V307-R311 HydrophobicContact CG1-CG 4.32Å; V307-R311 WeakPolarHBondContact O-CB 3.3Å; V307-R311 VanDerWaalsContact O-CG 3.25Å; V307-R311 WeakPolarHBondContact O-CG 3.22Å; V307-R311 PolarHBondContact O-N 2.92Å; R308-R311 PolarHBondContact O-N 3.05Å; R311-Y313 PolarHBondContact O-N 2.68Å; R311-W320 VanDerWaalsContact O-CE3 3.24Å; R311-W320 WeakPolarHBondContact O-CZ3 3.15Å; R311-E354 VanDerWaalsContact CZ-CD 3.44Å; R311-E354 IonicContact CZ-OE1 3.73Å; R311-E354 IonicContact CZ-OE2 2.72Å; R311-E354 VanDerWaalsContact CZ-OE2 3.22Å; R311-E354 IonicContact NE-OE1 3.49Å; R311-E354 PolarHBondContact NE-OE1 3.11Å; R311-E354 IonicContact NH1-OE1 3.92Å; R311-E354 PolarHBondContact NH1-OE1 2.68Å; R311-E354 IonicContact NH1-OE2 2.77Å; R311-E354 IonicContact NH2-OE1 3.65Å; R311-E354 PolarHBondContact NH2-OE1 3.4Å; R311-E354 IonicContact NH2-OE2 2.93Å; R311-E354 PolarHBondContact NH2-OE2 2.87Å
312T88.7Confident88.8Confident74 Ų7460.1 Ų60.145%0.45430%0.297SS..THydrogen-bonded Turntrans-65.8-20.4178.7-58.30000112.2R308 R309 Y310R308-T312 PolarHBondContact O-N 2.92Å; R308-T312 PolarHBondContact O-OG1 2.92Å; R309-T312 WeakPolarHBondContact O-CB 3.05Å; R309-T312 PolarHBondContact O-N 3Å; Y310-T312 PolarHBondContact O-N 2.74Å; Y310-T312 VanDerWaalsContact O-N 3.13Å
313Y85.5Confident88.6Confident27 Ų2760.9 Ų60.911%0.10630%0.301CS..  trans-94.9143.1-179.3-59.6-80000113.3H73 D76 R79 R309 Y310 R311 R321H73-Y313 WeakPolarHBondContact CA-OH 3.42Å; H73-Y313 AromaticContact CE1-CE1 3.85Å; H73-Y313 AromaticContact ND1-CE1 3.44Å; H73-Y313 WeakPolarHBondContact ND1-CE1 3.38Å; H73-Y313 AromaticContact ND1-CZ 3.49Å; H73-Y313 PolarHBondContact ND1-OH 3.43Å; H73-Y313 WeakPolarHBondContact O-CE1 3.31Å; D76-Y313 HydrophobicContact CB-CD1 3.99Å; D76-Y313 HydrophobicContact CB-CE1 3.84Å; D76-Y313 WeakPolarHBondContact OD1-CE2 3.34Å; R79-Y313 VanDerWaalsContact NH2-CZ 3.34Å; R79-Y313 PolarHBondContact NH2-OH 3.42Å; R309-Y313 WeakPolarHBondContact O-CD2 3.25Å; R309-Y313 VanDerWaalsContact O-CE2 3.26Å; R309-Y313 WeakPolarHBondContact O-CE2 3.41Å; Y310-Y313 PolarHBondContact O-N 2.94Å; R311-Y313 PolarHBondContact O-N 2.68Å; Y313-R321 VanDerWaalsContact CB-CZ 3.5Å; Y313-R321 PolarHBondContact O-N 2.99Å
314K79.1Confident88.3Confident107 Ų10764.7 Ų64.747%0.46532%0.321SS..BIsolated β-bridgetrans-95.1161.6168.7-74.1170.8168.6-102.80111G318 N319 W320K314-G318 WeakPolarHBondContact CD-O 3.31Å; K314-G318 PolarHBondContact NZ-O 2.96Å; K314-N319 CarbonylContact C-O 3.52Å; K314-N319 WeakPolarHBondContact CA-O 3.24Å; K314-N319 WeakPolarHBondContact CB-O 3.43Å; K314-N319 WeakPolarHBondContact CG-O 3.3Å; K314-W320 HydrophobicContact CG-CE3 3.86Å; K314-W320 HydrophobicContact CG-CZ3 3.97Å
315D76.6Confident88Confident57 Ų5767.2 Ų67.231%0.30533%0.333SS..  trans-78.2178.7166.976.2-3.8000111.3K317 G318 N319D315-K317 PolarHBondContact O-N 3.06Å; D315-K317 VanDerWaalsContact O-N 3.16Å; D315-K317 VanDerWaalsContact OD1-C 3.26Å; D315-K317 VanDerWaalsContact OD1-CA 3.3Å; D315-K317 WeakPolarHBondContact OD1-CA 3.24Å; D315-K317 WeakPolarHBondContact OD1-CB 3.42Å; D315-K317 PolarHBondContact OD1-N 3.34Å; D315-G318 PolarHBondContact O-N 3.38Å; D315-G318 VanDerWaalsContact O-N 3.13Å; D315-G318 PolarHBondContact OD1-N 3.3Å; D315-N319 PolarHBondContact N-O 2.88Å; D315-N319 PolarHBondContact OD1-N 2.84Å; D315-N319 PolarHBondContact OD2-ND2 3.43Å
316S75.3Confident87.9Confident129 Ų12967.2 Ų67.290%0.90233%0.333SS*.THydrogen-bonded Turntrans-67-7.9176.452.10000114.4
317K77.3Confident87.9Confident170 Ų17067.8 Ų67.874%0.73934%0.336SS*.THydrogen-bonded Turntrans-102.1-1176.4-59175.1-178.8176.30112.1D315 N319D315-K317 PolarHBondContact O-N 3.06Å; D315-K317 VanDerWaalsContact O-N 3.16Å; D315-K317 VanDerWaalsContact OD1-C 3.26Å; D315-K317 VanDerWaalsContact OD1-CA 3.3Å; D315-K317 WeakPolarHBondContact OD1-CA 3.24Å; D315-K317 WeakPolarHBondContact OD1-CB 3.42Å; D315-K317 PolarHBondContact OD1-N 3.34Å; K317-N319 WeakPolarHBondContact CB-ND2 3.27Å
318G78Confident87.9Confident35 Ų3571.4 Ų71.436%0.36136%0.355SS..SBendtrans81.56.6-177.400000114.9K314 D315K314-G318 WeakPolarHBondContact CD-O 3.31Å; K314-G318 PolarHBondContact NZ-O 2.96Å; D315-G318 PolarHBondContact O-N 3.38Å; D315-G318 VanDerWaalsContact O-N 3.13Å; D315-G318 PolarHBondContact OD1-N 3.3Å
319N81.6Confident88Confident91 Ų9170.1 Ų70.149%0.48735%0.352SS..SBendtrans-79.6163.7172.8-57.2-56.9000110.9K314 D315 K317K314-N319 CarbonylContact C-O 3.52Å; K314-N319 WeakPolarHBondContact CA-O 3.24Å; K314-N319 WeakPolarHBondContact CB-O 3.43Å; K314-N319 WeakPolarHBondContact CG-O 3.3Å; D315-N319 PolarHBondContact N-O 2.88Å; D315-N319 PolarHBondContact OD1-N 2.84Å; D315-N319 PolarHBondContact OD2-ND2 3.43Å; K317-N319 WeakPolarHBondContact CB-ND2 3.27Å
320W81Confident88.1Confident174 Ų17468.8 Ų68.866%0.65935%0.347SS*.BIsolated β-bridgetrans-67139.9167-60.8120000110.3R311 K314 S322R311-W320 VanDerWaalsContact O-CE3 3.24Å; R311-W320 WeakPolarHBondContact O-CZ3 3.15Å; K314-W320 HydrophobicContact CG-CE3 3.86Å; K314-W320 HydrophobicContact CG-CZ3 3.97Å; W320-S322 PolarHBondContact O-N 3.45Å
321R85.8Confident88.3Confident43 Ų4368.7 Ų68.716%0.16235%0.348CS..PPolyproline II helixtrans-65.7127.5-174-175178.4-68.6172.3-6.1111.8D76 Y310 Y313 H325D76-R321 IonicContact OD1-NH1 3.85Å; D76-R321 IonicContact OD2-CZ 3.76Å; D76-R321 IonicContact OD2-NH1 3.1Å; D76-R321 PolarHBondContact OD2-NH1 3.01Å; D76-R321 IonicContact OD2-NH2 3.68Å; D76-R321 PolarHBondContact OD2-NH2 3.21Å; Y310-R321 HydrophobicContact CE1-CB 4.32Å; Y310-R321 HydrophobicContact CE1-CG 4.14Å; Y310-R321 HydrophobicContact CE2-CG 4.46Å; Y310-R321 VanDerWaalsContact CZ-CD 3.46Å; Y310-R321 WeakPolarHBondContact OH-CD 3.46Å; Y310-R321 WeakPolarHBondContact OH-CG 3.38Å; Y313-R321 VanDerWaalsContact CB-CZ 3.5Å; Y313-R321 PolarHBondContact O-N 2.99Å; R321-H325 HydrophobicContact CG-CB 4.43Å
322S90.9Very high88.7Confident59 Ų5963 Ų6341%0.41333%0.326SS..PPolyproline II helixtrans-68.8137.5173.7-170.80000111.6Y310 W320 D324 H325Y310-S322 PolarHBondContact OH-O 3.09Å; W320-S322 PolarHBondContact O-N 3.45Å; S322-D324 PolarHBondContact O-N 3.3Å; S322-D324 PolarHBondContact OG-OD2 3.47Å; S322-H325 PolarHBondContact O-N 2.9Å
323F94.2Very high89.2Confident15 Ų1559.5 Ų59.57%0.06631%0.305CS..G310 helixtrans-57.8-11.1175.1-76.6-80.2000115V307 Y310 H325 F326 L350 E354 L356 I364V307-F323 HydrophobicContact CG1-CE1 4.26Å; V307-F323 HydrophobicContact CG1-CZ 3.99Å; V307-F323 HydrophobicContact CG2-CE1 4.46Å; Y310-F323 HydrophobicContact CD1-CD1 4.47Å; Y310-F323 HydrophobicContact CD1-CE1 4.32Å; Y310-F323 HydrophobicContact CE1-CD1 4.16Å; Y310-F323 HydrophobicContact CE1-CE1 4.44Å; F323-H325 PolarHBondContact O-N 2.94Å; F323-F326 HydrophobicContact CD1-CB 4.16Å; F323-F326 AromaticContact CD1-CD2 3.64Å; F323-F326 HydrophobicContact CD1-CD2 3.64Å; F323-F326 HydrophobicContact CD1-CE2 4.23Å; F323-F326 HydrophobicContact CD1-CG 4.07Å; F323-F326 AromaticContact CE1-CD2 3.89Å; F323-F326 HydrophobicContact CE1-CD2 3.89Å; F323-F326 HydrophobicContact CE1-CE2 4.03Å; F323-F326 WeakPolarHBondContact O-CB 3.48Å; F323-F326 PolarHBondContact O-N 2.83Å; F323-L350 HydrophobicContact CB-CD2 4.44Å; F323-L350 HydrophobicContact CD1-CD2 3.59Å; F323-L350 HydrophobicContact CD2-CD2 4.38Å; F323-L350 HydrophobicContact CE1-CD2 3.77Å; F323-L350 HydrophobicContact CG-CD2 3.92Å; F323-L350 HydrophobicContact CZ-CD2 4.23Å; F323-E354 HydrophobicContact CE2-CB 4.1Å; F323-E354 VanDerWaalsContact CE2-CD 3.46Å; F323-E354 HydrophobicContact CE2-CG 3.65Å; F323-E354 HydrophobicContact CZ-CG 3.79Å; F323-E354 VanDerWaalsContact CZ-OE1 3.25Å; F323-E354 WeakPolarHBondContact CZ-OE1 3.34Å; F323-L356 HydrophobicContact CB-CD2 4.21Å; F323-L356 HydrophobicContact CD2-CD1 4.31Å; F323-I364 HydrophobicContact CB-CD1 4.09Å; F323-I364 WeakPolarHBondContact O-CD1 3.32Å
324D91.9Very high89.8Confident81 Ų8158.2 Ų58.243%0.43330%0.3SS..G310 helixtrans-50.7-36.9165.9-64.3-75.4000111.9S322 F326 K360S322-D324 PolarHBondContact O-N 3.3Å; S322-D324 PolarHBondContact OG-OD2 3.47Å; D324-F326 VanDerWaalsContact C-N 3.34Å; D324-F326 PolarHBondContact O-N 3.19Å; D324-K360 WeakPolarHBondContact OD1-CE 3.21Å; D324-K360 IonicContact OD1-NZ 3.8Å; D324-K360 PolarHBondContact OD1-NZ 3.45Å; D324-K360 IonicContact OD2-NZ 2.71Å; D324-K360 PolarHBondContact OD2-NZ 3.05Å
325H93.2Very high90.6Very high100 Ų10053.1 Ų53.146%0.46328%0.278SS..G310 helixtrans-93.923.7177.7-61.2-61.6000113Y310 R321 S322 F323 D328Y310-H325 WeakPolarHBondContact CE2-O 3.47Å; Y310-H325 PolarHBondContact OH-O 3.42Å; R321-H325 HydrophobicContact CG-CB 4.43Å; S322-H325 PolarHBondContact O-N 2.9Å; F323-H325 PolarHBondContact O-N 2.94Å; H325-D328 WeakPolarHBondContact CA-OD2 3.35Å; H325-D328 HydrophobicContact CB-CB 4.42Å; H325-D328 IonicContact CE1-OD2 3.45Å; H325-D328 IonicContact CG-OD2 2.62Å; H325-D328 IonicContact ND1-OD2 2.7Å; H325-D328 PolarHBondContact ND1-OD2 2.8Å
326F96.9Very high91.4Very high0 Ų050.8 Ų50.80%027%0.265CS..SBendtrans-72.6-49.4178.7-167.2-99.6000111.1I306 V307 Y310 F323 D324 D328 K329 V330 L346 I364 T368I306-F326 HydrophobicContact CG2-CE2 4.43Å; I306-F326 HydrophobicContact CG2-CZ 3.95Å; V307-F326 HydrophobicContact CG2-CE2 4.13Å; V307-F326 HydrophobicContact CG2-CZ 4.13Å; Y310-F326 AromaticContact CD1-CD2 3.79Å; Y310-F326 HydrophobicContact CD1-CD2 3.79Å; Y310-F326 HydrophobicContact CD1-CE2 4.21Å; Y310-F326 AromaticContact CD2-CD2 3.68Å; Y310-F326 HydrophobicContact CD2-CD2 3.68Å; Y310-F326 HydrophobicContact CD2-CE2 4.17Å; Y310-F326 AromaticContact CE1-CD2 3.91Å; Y310-F326 HydrophobicContact CE1-CD2 3.91Å; Y310-F326 HydrophobicContact CE2-CB 4.25Å; Y310-F326 AromaticContact CE2-CD2 3.8Å; Y310-F326 HydrophobicContact CE2-CD2 3.8Å; Y310-F326 HydrophobicContact CE2-CG 4.39Å; Y310-F326 AromaticContact CG-CD2 3.65Å; Y310-F326 HydrophobicContact CG-CD2 3.65Å; Y310-F326 AromaticContact CG-CE2 3.89Å; Y310-F326 HydrophobicContact CG-CE2 3.89Å; Y310-F326 AromaticContact CZ-CD2 3.89Å; Y310-F326 PolarHBondContact OH-N 3.22Å; Y310-F326 VanDerWaalsContact OH-N 3.15Å; F323-F326 HydrophobicContact CD1-CB 4.16Å; F323-F326 AromaticContact CD1-CD2 3.64Å; F323-F326 HydrophobicContact CD1-CD2 3.64Å; F323-F326 HydrophobicContact CD1-CE2 4.23Å; F323-F326 HydrophobicContact CD1-CG 4.07Å; F323-F326 AromaticContact CE1-CD2 3.89Å; F323-F326 HydrophobicContact CE1-CD2 3.89Å; F323-F326 HydrophobicContact CE1-CE2 4.03Å; F323-F326 WeakPolarHBondContact O-CB 3.48Å; F323-F326 PolarHBondContact O-N 2.83Å; D324-F326 VanDerWaalsContact C-N 3.34Å; D324-F326 PolarHBondContact O-N 3.19Å; F326-D328 PolarHBondContact O-N 2.86Å; F326-K329 PolarHBondContact O-N 3.34Å; F326-V330 HydrophobicContact CD1-CB 4.16Å; F326-V330 HydrophobicContact CD1-CG1 4.41Å; F326-V330 HydrophobicContact CD1-CG2 4.35Å; F326-V330 HydrophobicContact CD2-CG2 4.03Å; F326-V330 HydrophobicContact CE1-CB 4.06Å; F326-V330 HydrophobicContact CE1-CG1 3.84Å; F326-V330 HydrophobicContact CE1-CG2 4.23Å; F326-V330 HydrophobicContact CE2-CG2 3.89Å; F326-V330 HydrophobicContact CG-CB 4.5Å; F326-V330 HydrophobicContact CG-CG2 4.27Å; F326-V330 HydrophobicContact CZ-CB 4.29Å; F326-V330 HydrophobicContact CZ-CG1 4.02Å; F326-V330 HydrophobicContact CZ-CG2 4Å; F326-V330 WeakPolarHBondContact O-CB 3.34Å; F326-V330 PolarHBondContact O-N 3.01Å; F326-L346 HydrophobicContact CE1-CD1 4.09Å; F326-L346 HydrophobicContact CE1-CD2 4.12Å; F326-L346 HydrophobicContact CZ-CD1 4.29Å; F326-I364 HydrophobicContact CB-CG2 3.93Å; F326-I364 HydrophobicContact CD1-CG2 3.9Å; F326-I364 HydrophobicContact CG-CG2 4.28Å; F326-T368 HydrophobicContact CD1-CG2 4.26Å; F326-T368 HydrophobicContact CE1-CG2 3.97Å
327P97.7Very high92.4Very high11 Ų1144.6 Ų44.67%0.07122%0.222CC..THydrogen-bonded Turntrans-64.4-27176.1-19.734.3000113.3K78 K329 I364 K367K78-P327 WeakPolarHBondContact CE-O 3.47Å; K78-P327 PolarHBondContact NZ-O 2.99Å; P327-K329 PolarHBondContact O-N 2.88Å; P327-I364 HydrophobicContact CG-CG2 4.33Å; P327-K367 HydrophobicContact CB-CB 3.69Å; P327-K367 HydrophobicContact CG-CB 3.66Å; P327-K367 HydrophobicContact CG-CD 4.39Å
328D96.2Very high93.3Very high89 Ų8937.3 Ų37.348%0.47619%0.19SC..THydrogen-bonded Turntrans-66.4-15.6175.6-54.3-12.4000112.9H325 F326H325-D328 WeakPolarHBondContact CA-OD2 3.35Å; H325-D328 HydrophobicContact CB-CB 4.42Å; H325-D328 IonicContact CE1-OD2 3.45Å; H325-D328 IonicContact CG-OD2 2.62Å; H325-D328 IonicContact ND1-OD2 2.7Å; H325-D328 PolarHBondContact ND1-OD2 2.8Å; F326-D328 PolarHBondContact O-N 2.86Å
329K96.9Very high94.2Very high54 Ų5435.6 Ų35.624%0.23517%0.173CC..THydrogen-bonded Turntrans-129.4-12.2-172.8-65.1-66.9-174.5178.70114.3D76 R79 Y310 F326 P327D76-K329 PolarHBondContact O-NZ 2.65Å; D76-K329 WeakPolarHBondContact OD2-CE 3.31Å; D76-K329 IonicContact OD2-NZ 2.92Å; D76-K329 PolarHBondContact OD2-NZ 2.85Å; R79-K329 PolarHBondContact N-O 2.98Å; Y310-K329 HydrophobicContact CD2-CB 4.17Å; Y310-K329 HydrophobicContact CE2-CB 3.91Å; Y310-K329 HydrophobicContact CE2-CG 4.3Å; F326-K329 PolarHBondContact O-N 3.34Å; P327-K329 PolarHBondContact O-N 2.88Å
330V98.5Very high95Very high2 Ų231.3 Ų31.31%0.01215%0.15CC..EExtended strand (participates in β ladder)trans-135.1119.8-174-1790000108.5Y81 I306 Y310 F326 I332 T368Y81-V330 HydrophobicContact CD2-CG1 3.78Å; Y81-V330 HydrophobicContact CE2-CB 4.38Å; Y81-V330 HydrophobicContact CE2-CG1 3.82Å; Y81-V330 HydrophobicContact CE2-CG2 4.31Å; I306-V330 HydrophobicContact CG2-CG1 3.71Å; I306-V330 HydrophobicContact CG2-CG2 4.13Å; Y310-V330 HydrophobicContact CD2-CG2 4.02Å; F326-V330 HydrophobicContact CD1-CB 4.16Å; F326-V330 HydrophobicContact CD1-CG1 4.41Å; F326-V330 HydrophobicContact CD1-CG2 4.35Å; F326-V330 HydrophobicContact CD2-CG2 4.03Å; F326-V330 HydrophobicContact CE1-CB 4.06Å; F326-V330 HydrophobicContact CE1-CG1 3.84Å; F326-V330 HydrophobicContact CE1-CG2 4.23Å; F326-V330 HydrophobicContact CE2-CG2 3.89Å; F326-V330 HydrophobicContact CG-CB 4.5Å; F326-V330 HydrophobicContact CG-CG2 4.27Å; F326-V330 HydrophobicContact CZ-CB 4.29Å; F326-V330 HydrophobicContact CZ-CG1 4.02Å; F326-V330 HydrophobicContact CZ-CG2 4Å; F326-V330 WeakPolarHBondContact O-CB 3.34Å; F326-V330 PolarHBondContact O-N 3.01Å; V330-I332 HydrophobicContact CG1-CD1 4.02Å; V330-I332 HydrophobicContact CG1-CG1 3.78Å; V330-T368 HydrophobicContact CB-CG2 4.44Å; V330-T368 HydrophobicContact CG1-CG2 3.82Å
331A98.7Very high95.9Very high5 Ų523 Ų234%0.04112%0.119CC..EExtended strand (participates in β ladder)trans-117.5133.2163.200000108.5R79 Y81 W813R79-A331 PolarHBondContact O-N 3.43Å; Y81-A331 PolarHBondContact N-O 2.92Å; A331-W813 HydrophobicContact CB-CB 4.16Å; A331-W813 HydrophobicContact CB-CG 4.26Å
332I98.9Very high96.5Very high1 Ų121 Ų211%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-121.8116.6-178.9-53.4178.5000109.3Y81 L83 L303 I306 V330 L334 T368 F369 A370Y81-I332 HydrophobicContact CD2-CG1 4.34Å; Y81-I332 WeakPolarHBondContact O-CA 3.35Å; L83-I332 HydrophobicContact CD1-CG2 3.68Å; L83-I332 HydrophobicContact CD2-CG2 3.93Å; L83-I332 HydrophobicContact CG-CG2 4.36Å; L303-I332 HydrophobicContact CD2-CD1 3.58Å; I306-I332 HydrophobicContact CD1-CD1 4.01Å; I306-I332 HydrophobicContact CD1-CG1 4.36Å; V330-I332 HydrophobicContact CG1-CD1 4.02Å; V330-I332 HydrophobicContact CG1-CG1 3.78Å; I332-L334 HydrophobicContact CG2-CD2 4.37Å; I332-T368 HydrophobicContact CB-CG2 4.28Å; I332-T368 HydrophobicContact CD1-CG2 3.64Å; I332-T368 HydrophobicContact CG1-CG2 3.66Å; I332-T368 PolarHBondContact N-O 2.88Å; I332-F369 HydrophobicContact CB-CD1 3.73Å; I332-F369 HydrophobicContact CB-CE1 3.79Å; I332-F369 HydrophobicContact CD1-CD1 4.47Å; I332-F369 HydrophobicContact CD1-CE1 3.78Å; I332-F369 HydrophobicContact CD1-CZ 4.19Å; I332-F369 HydrophobicContact CG1-CE1 4.35Å; I332-F369 HydrophobicContact CG2-CD1 3.87Å; I332-F369 HydrophobicContact CG2-CE1 3.69Å; I332-F369 WeakPolarHBondContact O-CA 3.49Å; I332-A370 PolarHBondContact O-N 2.91Å
333Q98.8Very high96.9Very high0 Ų018.1 Ų18.10%09%0.091CC..EExtended strand (participates in β ladder)trans-94.5127.3175.4-164.768.230.800110.3Y81 Y82 L83 A370 T372 Y808 W813Y81-Q333 PolarHBondContact O-N 3.24Å; Y82-Q333 HydrophobicContact CD2-CB 3.75Å; Y82-Q333 HydrophobicContact CD2-CG 3.93Å; Y82-Q333 HydrophobicContact CE2-CB 4.17Å; Y82-Q333 HydrophobicContact CE2-CG 3.81Å; L83-Q333 PolarHBondContact N-O 2.87Å; Q333-A370 WeakPolarHBondContact CA-O 3.45Å; Q333-A370 PolarHBondContact NE2-O 2.94Å; Q333-T372 PolarHBondContact NE2-OG1 3.06Å; Q333-Y808 HydrophobicContact CG-CE1 4.49Å; Q333-W813 HydrophobicContact CB-CZ2 4.09Å; Q333-W813 HydrophobicContact CG-CZ2 4.13Å
334L98.6Very high97.1Very high0 Ų017.4 Ų17.40%09%0.088CC..EExtended strand (participates in β ladder)trans-93.6109174.2-53.8-179.2000109I332 D336 P339 A342 I343 F369 A370 Y371 T372I332-L334 HydrophobicContact CG2-CD2 4.37Å; L334-D336 PolarHBondContact O-N 3.33Å; L334-P339 HydrophobicContact CB-CG 3.9Å; L334-P339 HydrophobicContact CD2-CB 3.99Å; L334-P339 HydrophobicContact CD2-CG 3.85Å; L334-P339 HydrophobicContact CG-CG 4.46Å; L334-A342 HydrophobicContact CD2-CB 4.07Å; L334-I343 HydrophobicContact CD1-CD1 3.96Å; L334-I343 HydrophobicContact CD1-CG1 4.43Å; L334-F369 HydrophobicContact CD1-CD1 4.21Å; L334-F369 HydrophobicContact CD2-CD1 3.91Å; L334-F369 HydrophobicContact CD2-CE1 4.16Å; L334-F369 HydrophobicContact CG-CD1 4.14Å; L334-A370 PolarHBondContact N-O 3.38Å; L334-Y371 HydrophobicContact CB-CD2 4.47Å; L334-T372 PolarHBondContact O-N 2.88Å
335N96.1Very high97.4Very high0 Ų013.6 Ų13.60%07%0.067CC..EExtended strand (participates in β ladder)trans-83.695.5177-167.424.2000110Y82 L83 S84 L134 H374Y82-N335 HydrophobicContact CE1-CB 3.81Å; Y82-N335 PolarHBondContact OH-ND2 3.29Å; Y82-N335 PolarHBondContact OH-OD1 3Å; Y82-N335 VanDerWaalsContact OH-OD1 3.05Å; L83-N335 VanDerWaalsContact O-CB 3.24Å; L83-N335 WeakPolarHBondContact O-CB 3.39Å; L83-N335 PolarHBondContact O-N 2.87Å; S84-N335 WeakPolarHBondContact CB-ND2 3.31Å; S84-N335 PolarHBondContact OG-ND2 2.99Å; L134-N335 VanDerWaalsContact CD2-ND2 3.31Å; L134-N335 WeakPolarHBondContact CD2-ND2 3.39Å; N335-H374 PolarHBondContact OD1-CE1 2.93Å; N335-H374 VanDerWaalsContact OD1-CE1 3.26Å; N335-H374 PolarHBondContact OD1-NE2 2.85Å
336D93.9Very high97.7Very high7 Ų78.8 Ų8.84%0.0375%0.045CC..SBendtrans58.8-166-161-140.8-73.1000113.9L134 L334 H338 P339 T372 H374L134-D336 HydrophobicContact CD1-CB 3.82Å; L334-D336 PolarHBondContact O-N 3.33Å; D336-H338 VanDerWaalsContact C-N 3.32Å; D336-P339 WeakPolarHBondContact O-CD 3.47Å; D336-T372 WeakPolarHBondContact CA-O 3.24Å; D336-T372 PolarHBondContact N-O 2.99Å; D336-H374 WeakPolarHBondContact OD2-CB 3.47Å; D336-H374 IonicContact OD2-CD2 3.68Å; D336-H374 PolarHBondContact OD2-CD2 2.9Å; D336-H374 IonicContact OD2-CG 2.73Å; D336-H374 PolarHBondContact OD2-N 3.48Å
337T96Very high97.7Very high0 Ų08.8 Ų8.80%05%0.045CC..SBendtrans-78.2-11.8-176.544.40000113.7S340 Y371 M441 A442T337-S340 WeakPolarHBondContact O-CB 3.32Å; T337-S340 PolarHBondContact O-N 2.91Å; T337-S340 PolarHBondContact O-OG 3.33Å; T337-Y371 HydrophobicContact CG2-CE2 3.99Å; T337-M441 HydrophobicContact CG2-CB 4.34Å; T337-A442 HydrophobicContact CG2-CB 3.89Å
338H94.7Very high97.8Very high16 Ų169.7 Ų9.77%0.0745%0.047CC..THydrogen-bonded Turntrans-57.7-41.6-177.3-37.9122.5000114.9L85 Y279 R291 Q295 D336 S340 E382L85-H338 HydrophobicContact CB-CB 4.38Å; L85-H338 HydrophobicContact CD1-CB 3.81Å; L85-H338 HydrophobicContact CD2-CB 4.47Å; L85-H338 HydrophobicContact CG-CB 4.44Å; Y279-H338 PolarHBondContact OH-CE1 3.21Å; Y279-H338 VanDerWaalsContact OH-CE1 3.22Å; Y279-H338 PolarHBondContact OH-NE2 2.93Å; Y279-H338 VanDerWaalsContact OH-NE2 3.12Å; R291-H338 PolarHBondContact NH2-CD2 3.28Å; R291-H338 PolarHBondContact NH2-NE2 2.86Å; Q295-H338 WeakPolarHBondContact CB-O 3.39Å; Q295-H338 WeakPolarHBondContact CG-O 3.4Å; D336-H338 VanDerWaalsContact C-N 3.32Å; H338-S340 VanDerWaalsContact C-N 3.34Å; H338-E382 WeakPolarHBondContact CA-OE2 3.35Å; H338-E382 IonicContact CD2-OE1 2.86Å; H338-E382 IonicContact CD2-OE2 2.77Å
339P98.1Very high97.9Very high0 Ų06.2 Ų6.20%03%0.029CC..THydrogen-bonded Turntrans-87.812.7172.836-37.6000114.4L83 V299 L334 D336 L341 A342L83-P339 HydrophobicContact CB-CB 3.84Å; L83-P339 HydrophobicContact CB-CG 4.18Å; L83-P339 HydrophobicContact CD2-CB 4.26Å; V299-P339 HydrophobicContact CG2-CB 4.22Å; L334-P339 HydrophobicContact CB-CG 3.9Å; L334-P339 HydrophobicContact CD2-CB 3.99Å; L334-P339 HydrophobicContact CD2-CG 3.85Å; L334-P339 HydrophobicContact CG-CG 4.46Å; D336-P339 WeakPolarHBondContact O-CD 3.47Å; P339-L341 PolarHBondContact O-N 3.49Å; P339-L341 VanDerWaalsContact O-N 3.08Å; P339-A342 WeakPolarHBondContact O-CB 3.2Å; P339-A342 PolarHBondContact O-N 2.89Å
340S98.4Very high97.9Very high0 Ų03.7 Ų3.70%02%0.018CC..THydrogen-bonded Turntrans-51.3-32.6-176.7530000115T337 H338 A342 I343 M441 C445T337-S340 WeakPolarHBondContact O-CB 3.32Å; T337-S340 PolarHBondContact O-N 2.91Å; T337-S340 PolarHBondContact O-OG 3.33Å; H338-S340 VanDerWaalsContact C-N 3.34Å; S340-A342 PolarHBondContact O-N 3.2Å; S340-I343 PolarHBondContact O-N 3.01Å; S340-I343 VanDerWaalsContact O-N 3.15Å; S340-M441 WeakPolarHBondContact OG-CE 3.41Å; S340-C445 WeakPolarHBondContact CB-SG 3.45Å
341L98.8Very high97.8Very high0 Ų05.1 Ų5.10%03%0.026CC..THydrogen-bonded Turntrans-59.3-11.9175.2-67.8175000113.7L292 Q295 Y296 V299 P339 I343 P344 E345 L389 L393 M441L292-L341 HydrophobicContact CD1-CD1 3.91Å; Q295-L341 HydrophobicContact CB-CD1 4.3Å; Y296-L341 HydrophobicContact CD2-CD1 4.24Å; V299-L341 HydrophobicContact CG1-CB 4.39Å; V299-L341 HydrophobicContact CG2-CB 4.38Å; P339-L341 PolarHBondContact O-N 3.49Å; P339-L341 VanDerWaalsContact O-N 3.08Å; L341-I343 PolarHBondContact O-N 2.92Å; L341-P344 HydrophobicContact CD2-CG 4.27Å; L341-P344 VanDerWaalsContact O-CD 3.26Å; L341-P344 WeakPolarHBondContact O-CD 3.41Å; L341-P344 WeakPolarHBondContact O-CG 3.11Å; L341-E345 VanDerWaalsContact O-CB 3.28Å; L341-E345 WeakPolarHBondContact O-CB 3.31Å; L341-E345 PolarHBondContact O-N 3.1Å; L341-L389 HydrophobicContact CD2-CD2 4.3Å; L341-L393 HydrophobicContact CD1-CD1 3.79Å; L341-L393 HydrophobicContact CD2-CD1 4.39Å; L341-M441 HydrophobicContact CD2-CE 3.89Å; L341-M441 HydrophobicContact CG-CE 4.29Å
342A98.8Very high97.7Very high0 Ų06.8 Ų6.80%03%0.034CC..Hα-helixtrans-61-31.1173.400000113L83 V299 L303 L334 P339 S340 L346 F369L83-A342 HydrophobicContact CD2-CB 4.38Å; V299-A342 VanDerWaalsContact CG1-CA 3.42Å; V299-A342 HydrophobicContact CG1-CB 3.96Å; V299-A342 HydrophobicContact CG2-CB 4.11Å; L303-A342 HydrophobicContact CD1-CB 4.04Å; L303-A342 WeakPolarHBondContact CD1-O 3.31Å; L334-A342 HydrophobicContact CD2-CB 4.07Å; P339-A342 WeakPolarHBondContact O-CB 3.2Å; P339-A342 PolarHBondContact O-N 2.89Å; S340-A342 PolarHBondContact O-N 3.2Å; A342-L346 VanDerWaalsContact O-CB 3.26Å; A342-L346 WeakPolarHBondContact O-CB 3.47Å; A342-L346 PolarHBondContact O-N 2.65Å; A342-F369 VanDerWaalsContact C-CZ 3.41Å; A342-F369 HydrophobicContact CB-CD1 4.47Å; A342-F369 HydrophobicContact CB-CE1 3.48Å; A342-F369 VanDerWaalsContact CB-CE1 3.48Å; A342-F369 HydrophobicContact CB-CZ 3.63Å; A342-F369 WeakPolarHBondContact O-CZ 3.4Å
343I98.8Very high97.5Very high0 Ų011.1 Ų11.10%06%0.061CC..Hα-helixtrans-63.5-58.9176.2-68.2154.6000110.8L334 S340 L341 E345 L346 M347 W362 F369 I403 L444L334-I343 HydrophobicContact CD1-CD1 3.96Å; L334-I343 HydrophobicContact CD1-CG1 4.43Å; S340-I343 PolarHBondContact O-N 3.01Å; S340-I343 VanDerWaalsContact O-N 3.15Å; L341-I343 PolarHBondContact O-N 2.92Å; I343-E345 PolarHBondContact O-N 2.87Å; I343-L346 PolarHBondContact O-N 3.47Å; I343-M347 WeakPolarHBondContact O-CG 3.43Å; I343-M347 PolarHBondContact O-N 3.36Å; I343-M347 VanDerWaalsContact O-N 3.14Å; I343-W362 HydrophobicContact CG2-CH2 4.22Å; I343-W362 HydrophobicContact CG2-CZ3 3.83Å; I343-F369 HydrophobicContact CB-CD2 4.49Å; I343-F369 HydrophobicContact CB-CE2 4.41Å; I343-F369 HydrophobicContact CG1-CB 4.49Å; I343-F369 HydrophobicContact CG1-CD2 3.61Å; I343-F369 HydrophobicContact CG1-CE2 3.93Å; I343-F369 HydrophobicContact CG1-CG 4Å; I343-I403 HydrophobicContact CG2-CD1 4.21Å; I343-L444 HydrophobicContact CG2-CD1 4.02Å
344P98.8Very high97.2Very high0 Ų013.4 Ų13.40%07%0.072CC..Hα-helixtrans-68.3-28.6176.925.4-34.2000113.8L341 R348 H396 I399 I400 L444L341-P344 HydrophobicContact CD2-CG 4.27Å; L341-P344 VanDerWaalsContact O-CD 3.26Å; L341-P344 WeakPolarHBondContact O-CD 3.41Å; L341-P344 WeakPolarHBondContact O-CG 3.11Å; P344-R348 WeakPolarHBondContact O-CB 3.5Å; P344-R348 PolarHBondContact O-N 3.18Å; P344-H396 HydrophobicContact CB-CB 4.3Å; P344-I399 HydrophobicContact CB-CB 4.25Å; P344-I399 HydrophobicContact CB-CG2 3.67Å; P344-I400 HydrophobicContact CB-CG1 4.12Å; P344-I400 HydrophobicContact CG-CD1 4.23Å; P344-I400 HydrophobicContact CG-CG1 4.13Å; P344-L444 HydrophobicContact CG-CD2 4.31Å
345E98.8Very high97Very high0 Ų016.1 Ų16.10%010%0.099CC..Hα-helixtrans-71.5-40.1175.7175.959.4-17200112.8Y296 V299 A300 L303 L341 I343 M347 R348 L349 H396Y296-E345 HydrophobicContact CE2-CB 4.36Å; Y296-E345 HydrophobicContact CE2-CG 4.37Å; Y296-E345 PolarHBondContact OH-OE2 2.92Å; Y296-E345 VanDerWaalsContact OH-OE2 3.12Å; V299-E345 HydrophobicContact CG1-CB 3.73Å; V299-E345 HydrophobicContact CG1-CG 3.97Å; A300-E345 HydrophobicContact CB-CG 4.45Å; L303-E345 HydrophobicContact CD1-CB 3.78Å; L303-E345 HydrophobicContact CD1-CG 3.6Å; L341-E345 VanDerWaalsContact O-CB 3.28Å; L341-E345 WeakPolarHBondContact O-CB 3.31Å; L341-E345 PolarHBondContact O-N 3.1Å; I343-E345 PolarHBondContact O-N 2.87Å; E345-M347 VanDerWaalsContact C-N 3.3Å; E345-M347 PolarHBondContact O-N 2.98Å; E345-R348 WeakPolarHBondContact O-CB 3.47Å; E345-R348 PolarHBondContact O-N 2.89Å; E345-R348 IonicContact OE1-CZ 2.64Å; E345-R348 IonicContact OE1-NE 3.69Å; E345-R348 IonicContact OE1-NH2 2.76Å; E345-R348 PolarHBondContact OE1-NH2 3.49Å; E345-R348 IonicContact OE2-CZ 3.9Å; E345-R348 IonicContact OE2-NE 2.65Å; E345-R348 PolarHBondContact OE2-NE 3.38Å; E345-R348 IonicContact OE2-NH2 2.89Å; E345-R348 PolarHBondContact OE2-NH2 3.3Å; E345-L349 HydrophobicContact CG-CD1 4.31Å; E345-L349 WeakPolarHBondContact O-CG 3.39Å; E345-L349 PolarHBondContact O-N 2.8Å; E345-H396 IonicContact OE2-CD2 2.71Å; E345-H396 IonicContact OE2-CE1 3.91Å; E345-H396 IonicContact OE2-NE2 3.72Å; E345-H396 PolarHBondContact OE2-NE2 3.24Å
346L98.7Very high97Very high0 Ų017.2 Ų17.20%011%0.105CC..Hα-helixtrans-65-38.8173.5-177.758.9000110.6L303 F326 A342 I343 L349 L350 T368 F369L303-L346 HydrophobicContact CD1-CB 4.09Å; L303-L346 HydrophobicContact CD2-CB 4.45Å; F326-L346 HydrophobicContact CE1-CD1 4.09Å; F326-L346 HydrophobicContact CE1-CD2 4.12Å; F326-L346 HydrophobicContact CZ-CD1 4.29Å; A342-L346 VanDerWaalsContact O-CB 3.26Å; A342-L346 WeakPolarHBondContact O-CB 3.47Å; A342-L346 PolarHBondContact O-N 2.65Å; I343-L346 PolarHBondContact O-N 3.47Å; L346-L349 PolarHBondContact O-N 3.25Å; L346-L350 HydrophobicContact CD1-CD1 4.04Å; L346-L350 HydrophobicContact CD1-CG 4.03Å; L346-L350 HydrophobicContact CG-CD1 3.93Å; L346-L350 HydrophobicContact CG-CG 4.34Å; L346-L350 WeakPolarHBondContact O-CB 3.44Å; L346-L350 VanDerWaalsContact O-CG 3.27Å; L346-L350 WeakPolarHBondContact O-CG 3.1Å; L346-L350 PolarHBondContact O-N 2.93Å; L346-T368 HydrophobicContact CD2-CG2 4.27Å; L346-F369 HydrophobicContact CB-CE2 3.89Å; L346-F369 HydrophobicContact CB-CZ 3.93Å; L346-F369 HydrophobicContact CD2-CD2 4.47Å; L346-F369 HydrophobicContact CD2-CE2 3.55Å; L346-F369 HydrophobicContact CD2-CZ 3.81Å; L346-F369 HydrophobicContact CG-CE2 4.35Å
347M98.6Very high97.1Very high0 Ų021.4 Ų21.40%013%0.132CC..Hα-helixtrans-60.6-44.5170.9-74.6-61.5-69.700112.3I343 E345 L349 L350 V351 W358 A361 W362 I399I343-M347 WeakPolarHBondContact O-CG 3.43Å; I343-M347 PolarHBondContact O-N 3.36Å; I343-M347 VanDerWaalsContact O-N 3.14Å; E345-M347 VanDerWaalsContact C-N 3.3Å; E345-M347 PolarHBondContact O-N 2.98Å; M347-L349 PolarHBondContact O-N 3.05Å; M347-L350 PolarHBondContact O-N 2.97Å; M347-V351 HydrophobicContact CE-CG2 4.18Å; M347-V351 WeakPolarHBondContact O-CB 3.38Å; M347-V351 WeakPolarHBondContact O-CG2 3.34Å; M347-V351 PolarHBondContact O-N 3.17Å; M347-W358 HydrophobicContact CE-CD2 3.55Å; M347-W358 HydrophobicContact CE-CE3 3.64Å; M347-W358 HydrophobicContact CE-CG 4.22Å; M347-W358 HydrophobicContact CE-CH2 3.82Å; M347-W358 HydrophobicContact CE-CZ2 3.72Å; M347-W358 HydrophobicContact CE-CZ3 3.77Å; M347-A361 HydrophobicContact CE-CB 3.91Å; M347-A361 HydrophobicContact SD-CB 3.74Å; M347-W362 HydrophobicContact CE-CB 4Å; M347-W362 HydrophobicContact CE-CE3 4.22Å; M347-W362 HydrophobicContact CG-CE3 4.03Å; M347-W362 HydrophobicContact CG-CZ3 4.39Å; M347-W362 VanDerWaalsContact SD-CA 3.54Å; M347-W362 HydrophobicContact SD-CB 4.14Å; M347-W362 HydrophobicContact SD-CE3 3.85Å; M347-W362 PolarHBondContact SD-N 3.32Å; M347-W362 VanDerWaalsContact SD-N 3.41Å; M347-I399 HydrophobicContact CB-CG2 3.81Å; M347-I399 HydrophobicContact CG-CG2 4.5Å
348R98.4Very high97.1Very high30 Ų3023.2 Ų23.211%0.11314%0.139CC..Hα-helixtrans-59.8-45.8176.5-164.8-166.763.675.11.9111.6P344 E345 D352 R395 I399P344-R348 WeakPolarHBondContact O-CB 3.5Å; P344-R348 PolarHBondContact O-N 3.18Å; E345-R348 WeakPolarHBondContact O-CB 3.47Å; E345-R348 PolarHBondContact O-N 2.89Å; E345-R348 IonicContact OE1-CZ 2.64Å; E345-R348 IonicContact OE1-NE 3.69Å; E345-R348 IonicContact OE1-NH2 2.76Å; E345-R348 PolarHBondContact OE1-NH2 3.49Å; E345-R348 IonicContact OE2-CZ 3.9Å; E345-R348 IonicContact OE2-NE 2.65Å; E345-R348 PolarHBondContact OE2-NE 3.38Å; E345-R348 IonicContact OE2-NH2 2.89Å; E345-R348 PolarHBondContact OE2-NH2 3.3Å; R348-D352 WeakPolarHBondContact CG-OD2 3.42Å; R348-D352 VanDerWaalsContact O-CB 3.24Å; R348-D352 WeakPolarHBondContact O-CB 3.28Å; R348-D352 PolarHBondContact O-N 3.06Å; R348-R395 HydrophobicContact CG-CG 3.92Å; R348-I399 HydrophobicContact CB-CD1 3.6Å; R348-I399 HydrophobicContact CG-CD1 3.98Å
349L97.7Very high97.3Very high16 Ų1627.8 Ų27.88%0.08416%0.161CC..Iπ-helixtrans-62.5-51.2176.8-69.3169.8000111.1L303 E345 L346 M347 V351 V353 E354L303-L349 HydrophobicContact CB-CD1 3.84Å; E345-L349 HydrophobicContact CG-CD1 4.31Å; E345-L349 WeakPolarHBondContact O-CG 3.39Å; E345-L349 PolarHBondContact O-N 2.8Å; L346-L349 PolarHBondContact O-N 3.25Å; M347-L349 PolarHBondContact O-N 3.05Å; L349-V351 PolarHBondContact O-N 3.19Å; L349-V353 HydrophobicContact CD2-CG2 4.25Å; L349-V353 WeakPolarHBondContact O-CB 3.44Å; L349-V353 PolarHBondContact O-N 2.77Å; L349-E354 WeakPolarHBondContact O-CG 3.48Å; L349-E354 PolarHBondContact O-N 2.99Å
350L97.5Very high97.2Very high1 Ų131.1 Ų31.11%0.00518%0.175CC..Iπ-helixtrans-66.5-37.6-177-67.8175.9000113.2F323 L346 M347 E354 G355 L356 A361 I364F323-L350 HydrophobicContact CB-CD2 4.44Å; F323-L350 HydrophobicContact CD1-CD2 3.59Å; F323-L350 HydrophobicContact CD2-CD2 4.38Å; F323-L350 HydrophobicContact CE1-CD2 3.77Å; F323-L350 HydrophobicContact CG-CD2 3.92Å; F323-L350 HydrophobicContact CZ-CD2 4.23Å; L346-L350 HydrophobicContact CD1-CD1 4.04Å; L346-L350 HydrophobicContact CD1-CG 4.03Å; L346-L350 HydrophobicContact CG-CD1 3.93Å; L346-L350 HydrophobicContact CG-CG 4.34Å; L346-L350 WeakPolarHBondContact O-CB 3.44Å; L346-L350 VanDerWaalsContact O-CG 3.27Å; L346-L350 WeakPolarHBondContact O-CG 3.1Å; L346-L350 PolarHBondContact O-N 2.93Å; M347-L350 PolarHBondContact O-N 2.97Å; L350-E354 CarbonylContact O-C 3.57Å; L350-E354 WeakPolarHBondContact O-CB 3.42Å; L350-G355 PolarHBondContact O-N 2.96Å; L350-L356 HydrophobicContact CD2-CD2 4.32Å; L350-L356 WeakPolarHBondContact O-CB 3.35Å; L350-L356 PolarHBondContact O-N 3.03Å; L350-A361 HydrophobicContact CB-CB 3.68Å; L350-A361 HydrophobicContact CD1-CB 4.17Å; L350-I364 HydrophobicContact CD1-CB 4.14Å; L350-I364 HydrophobicContact CD1-CG2 3.79Å
351V97.5Very high97.2Very high32 Ų3231.1 Ų31.119%0.19418%0.175CC..Iπ-helixtrans-86.1-53.4-177.9178.90000111.8M347 L349 G355 W358 A361M347-V351 HydrophobicContact CE-CG2 4.18Å; M347-V351 WeakPolarHBondContact O-CB 3.38Å; M347-V351 WeakPolarHBondContact O-CG2 3.34Å; M347-V351 PolarHBondContact O-N 3.17Å; L349-V351 PolarHBondContact O-N 3.19Å; V351-G355 VanDerWaalsContact O-CA 3.3Å; V351-G355 WeakPolarHBondContact O-CA 3.48Å; V351-G355 PolarHBondContact O-N 2.68Å; V351-W358 HydrophobicContact CG2-CE3 4.24Å; V351-A361 HydrophobicContact CG2-CB 3.65Å
352D96.4Very high97.2Very high39 Ų3933.4 Ų33.421%0.20918%0.184CC..Iπ-helixtrans-82.9-35.9-169.1-54.5-13.1000112.2R348 R395R348-D352 WeakPolarHBondContact CG-OD2 3.42Å; R348-D352 VanDerWaalsContact O-CB 3.24Å; R348-D352 WeakPolarHBondContact O-CB 3.28Å; R348-D352 PolarHBondContact O-N 3.06Å; D352-R395 IonicContact OD1-CZ 2.73Å; D352-R395 IonicContact OD1-NE 2.72Å; D352-R395 PolarHBondContact OD1-NE 3.29Å; D352-R395 IonicContact OD1-NH2 3.64Å; D352-R395 PolarHBondContact OD1-NH2 3.05Å; D352-R395 IonicContact OD2-CZ 3.16Å; D352-R395 IonicContact OD2-NE 2.68Å; D352-R395 PolarHBondContact OD2-NE 3.01Å; D352-R395 IonicContact OD2-NH2 2.7Å
353V94.3Very high97.2Very high92 Ų9237.4 Ų37.456%0.55821%0.205SC*.Iπ-helixtrans-95.6-45.5-176.7-1730000111.7L349L349-V353 HydrophobicContact CD2-CG2 4.25Å; L349-V353 WeakPolarHBondContact O-CB 3.44Å; L349-V353 PolarHBondContact O-N 2.77Å
354E93.2Very high97.1Very high49 Ų4937.8 Ų37.823%0.22921%0.207CC..THydrogen-bonded Turntrans-92.3-10.4-176.7-52.7-70.4-165.600113.5R311 F323 L349 L350 L356R311-E354 VanDerWaalsContact CZ-CD 3.44Å; R311-E354 IonicContact CZ-OE1 3.73Å; R311-E354 IonicContact CZ-OE2 2.72Å; R311-E354 VanDerWaalsContact CZ-OE2 3.22Å; R311-E354 IonicContact NE-OE1 3.49Å; R311-E354 PolarHBondContact NE-OE1 3.11Å; R311-E354 IonicContact NH1-OE1 3.92Å; R311-E354 PolarHBondContact NH1-OE1 2.68Å; R311-E354 IonicContact NH1-OE2 2.77Å; R311-E354 IonicContact NH2-OE1 3.65Å; R311-E354 PolarHBondContact NH2-OE1 3.4Å; R311-E354 IonicContact NH2-OE2 2.93Å; R311-E354 PolarHBondContact NH2-OE2 2.87Å; F323-E354 HydrophobicContact CE2-CB 4.1Å; F323-E354 VanDerWaalsContact CE2-CD 3.46Å; F323-E354 HydrophobicContact CE2-CG 3.65Å; F323-E354 HydrophobicContact CZ-CG 3.79Å; F323-E354 VanDerWaalsContact CZ-OE1 3.25Å; F323-E354 WeakPolarHBondContact CZ-OE1 3.34Å; L349-E354 WeakPolarHBondContact O-CG 3.48Å; L349-E354 PolarHBondContact O-N 2.99Å; L350-E354 CarbonylContact O-C 3.57Å; L350-E354 WeakPolarHBondContact O-CB 3.42Å; E354-L356 HydrophobicContact CB-CD1 3.66Å; E354-L356 PolarHBondContact O-N 3.12Å
355G93.5Very high97.1Very high56 Ų5637.8 Ų37.858%0.57721%0.207SC*.  trans71.220.8174.300000115.4L350 V351L350-G355 PolarHBondContact O-N 2.96Å; V351-G355 VanDerWaalsContact O-CA 3.3Å; V351-G355 WeakPolarHBondContact O-CA 3.48Å; V351-G355 PolarHBondContact O-N 2.68Å
356L95.5Very high97.1Very high23 Ų2339.3 Ų39.312%0.1222%0.217CC..  trans-71141.7176.7-82.470.9000111F323 L350 E354 K360 A361 I364F323-L356 HydrophobicContact CB-CD2 4.21Å; F323-L356 HydrophobicContact CD2-CD1 4.31Å; L350-L356 HydrophobicContact CD2-CD2 4.32Å; L350-L356 WeakPolarHBondContact O-CB 3.35Å; L350-L356 PolarHBondContact O-N 3.03Å; E354-L356 HydrophobicContact CB-CD1 3.66Å; E354-L356 PolarHBondContact O-N 3.12Å; L356-K360 HydrophobicContact CD2-CD 4.1Å; L356-K360 HydrophobicContact CD2-CG 4.09Å; L356-K360 HydrophobicContact CG-CD 4.38Å; L356-A361 HydrophobicContact CB-CB 4.31Å; L356-I364 HydrophobicContact CD2-CD1 3.62Å
357P96.3Very high97.1Very high95 Ų9544.7 Ų44.762%0.61724%0.24SC*.  trans-57.6142166.9-23.333.9000111.6E359 K360 A361P357-E359 PolarHBondContact O-N 3.41Å; P357-K360 WeakPolarHBondContact O-CA 3.32Å; P357-K360 WeakPolarHBondContact O-CB 3.33Å; P357-K360 PolarHBondContact O-N 3.37Å; P357-A361 PolarHBondContact O-N 3.13Å
358W97Very high97.1Very high39 Ų3944.7 Ų44.715%0.14824%0.24CC..Hα-helixtrans-48-52.3-174.3179.9-83.8000113.8M347 V351 K360 A361 W362 I399 E402 I403 K406M347-W358 HydrophobicContact CE-CD2 3.55Å; M347-W358 HydrophobicContact CE-CE3 3.64Å; M347-W358 HydrophobicContact CE-CG 4.22Å; M347-W358 HydrophobicContact CE-CH2 3.82Å; M347-W358 HydrophobicContact CE-CZ2 3.72Å; M347-W358 HydrophobicContact CE-CZ3 3.77Å; V351-W358 HydrophobicContact CG2-CE3 4.24Å; W358-K360 PolarHBondContact O-N 3.06Å; W358-A361 PolarHBondContact O-N 2.97Å; W358-A361 VanDerWaalsContact O-N 3.13Å; W358-W362 WeakPolarHBondContact O-CB 3.13Å; W358-W362 PolarHBondContact O-N 3.25Å; W358-I399 HydrophobicContact CH2-CB 4.43Å; W358-I399 HydrophobicContact CH2-CG2 3.89Å; W358-I399 HydrophobicContact CZ3-CG1 4.37Å; W358-I399 HydrophobicContact CZ3-CG2 4.31Å; W358-E402 HydrophobicContact CD2-CG 4.08Å; W358-E402 HydrophobicContact CE3-CG 4.14Å; W358-E402 HydrophobicContact CH2-CB 3.59Å; W358-E402 HydrophobicContact CH2-CG 3.51Å; W358-E402 HydrophobicContact CZ2-CB 3.86Å; W358-E402 HydrophobicContact CZ2-CG 3.45Å; W358-E402 VanDerWaalsContact CZ2-CG 3.45Å; W358-E402 HydrophobicContact CZ3-CB 4.19Å; W358-E402 HydrophobicContact CZ3-CG 3.87Å; W358-I403 HydrophobicContact CH2-CG1 4.08Å; W358-I403 HydrophobicContact CZ2-CG1 3.77Å; W358-K406 VanDerWaalsContact CD1-CE 3.46Å; W358-K406 VanDerWaalsContact NE1-CD 3.26Å
359E97.3Very high97.1Very high112 Ų11243.2 Ų43.252%0.52323%0.234SC..Hα-helixtrans-61-30.8-178.1-55.3-53.1142.100112.9P357 N363 K406P357-E359 PolarHBondContact O-N 3.41Å; E359-N363 VanDerWaalsContact O-CB 3.27Å; E359-N363 WeakPolarHBondContact O-CB 3.27Å; E359-N363 PolarHBondContact O-N 2.72Å; E359-K406 IonicContact OE1-NZ 3.22Å; E359-K406 PolarHBondContact OE1-NZ 3.07Å
360K97.5Very high97.1Very high70 Ų7042.6 Ų42.630%0.30423%0.231SC..Hα-helixtrans-74-46.1175.8-171.9177.4176.5161.70110.8D324 L356 P357 W358 W362 I364D324-K360 WeakPolarHBondContact OD1-CE 3.21Å; D324-K360 IonicContact OD1-NZ 3.8Å; D324-K360 PolarHBondContact OD1-NZ 3.45Å; D324-K360 IonicContact OD2-NZ 2.71Å; D324-K360 PolarHBondContact OD2-NZ 3.05Å; L356-K360 HydrophobicContact CD2-CD 4.1Å; L356-K360 HydrophobicContact CD2-CG 4.09Å; L356-K360 HydrophobicContact CG-CD 4.38Å; P357-K360 WeakPolarHBondContact O-CA 3.32Å; P357-K360 WeakPolarHBondContact O-CB 3.33Å; P357-K360 PolarHBondContact O-N 3.37Å; W358-K360 PolarHBondContact O-N 3.06Å; K360-W362 VanDerWaalsContact C-N 3.33Å; K360-W362 PolarHBondContact O-N 2.8Å; K360-I364 HydrophobicContact CG-CD1 4.13Å; K360-I364 WeakPolarHBondContact O-CD1 3.24Å; K360-I364 WeakPolarHBondContact O-CG1 3.15Å; K360-I364 PolarHBondContact O-N 2.72Å; K360-I364 VanDerWaalsContact O-N 3.15Å
361A98.2Very high97.1Very high0 Ų042.5 Ų42.50%023%0.231CC..Hα-helixtrans-60-42.9175.600000111.7M347 L350 V351 L356 P357 W358 I364 S365M347-A361 HydrophobicContact CE-CB 3.91Å; M347-A361 HydrophobicContact SD-CB 3.74Å; L350-A361 HydrophobicContact CB-CB 3.68Å; L350-A361 HydrophobicContact CD1-CB 4.17Å; V351-A361 HydrophobicContact CG2-CB 3.65Å; L356-A361 HydrophobicContact CB-CB 4.31Å; P357-A361 PolarHBondContact O-N 3.13Å; W358-A361 PolarHBondContact O-N 2.97Å; W358-A361 VanDerWaalsContact O-N 3.13Å; A361-I364 PolarHBondContact O-N 3.28Å; A361-S365 WeakPolarHBondContact O-CB 3.12Å; A361-S365 PolarHBondContact O-N 3.31Å
362W98.3Very high96.9Very high48 Ų4841 Ų4118%0.18222%0.222CC..Hα-helixtrans-65.6-45.8-179.5-174.2-119.6000112.6I343 M347 W358 K360 I364 S365 V366 I403 V447I343-W362 HydrophobicContact CG2-CH2 4.22Å; I343-W362 HydrophobicContact CG2-CZ3 3.83Å; M347-W362 HydrophobicContact CE-CB 4Å; M347-W362 HydrophobicContact CE-CE3 4.22Å; M347-W362 HydrophobicContact CG-CE3 4.03Å; M347-W362 HydrophobicContact CG-CZ3 4.39Å; M347-W362 VanDerWaalsContact SD-CA 3.54Å; M347-W362 HydrophobicContact SD-CB 4.14Å; M347-W362 HydrophobicContact SD-CE3 3.85Å; M347-W362 PolarHBondContact SD-N 3.32Å; M347-W362 VanDerWaalsContact SD-N 3.41Å; W358-W362 WeakPolarHBondContact O-CB 3.13Å; W358-W362 PolarHBondContact O-N 3.25Å; K360-W362 VanDerWaalsContact C-N 3.33Å; K360-W362 PolarHBondContact O-N 2.8Å; W362-I364 VanDerWaalsContact C-N 3.29Å; W362-I364 PolarHBondContact O-N 2.81Å; W362-S365 PolarHBondContact O-N 3.04Å; W362-S365 VanDerWaalsContact O-N 3.13Å; W362-V366 HydrophobicContact CD2-CG2 3.98Å; W362-V366 HydrophobicContact CE3-CG2 4.43Å; W362-V366 HydrophobicContact CG-CG2 4.48Å; W362-V366 HydrophobicContact CH2-CG2 4.21Å; W362-V366 HydrophobicContact CZ2-CG2 3.73Å; W362-V366 WeakPolarHBondContact O-CG2 3.23Å; W362-V366 PolarHBondContact O-N 2.71Å; W362-I403 HydrophobicContact CE3-CD1 4.37Å; W362-I403 HydrophobicContact CE3-CG1 4.2Å; W362-I403 HydrophobicContact CH2-CB 4.47Å; W362-I403 HydrophobicContact CH2-CD1 4.06Å; W362-I403 HydrophobicContact CH2-CG1 3.99Å; W362-I403 HydrophobicContact CH2-CG2 3.63Å; W362-I403 HydrophobicContact CZ2-CG2 4.12Å; W362-I403 HydrophobicContact CZ3-CD1 3.57Å; W362-I403 HydrophobicContact CZ3-CG1 3.68Å; W362-I403 HydrophobicContact CZ3-CG2 4.21Å; W362-V447 HydrophobicContact CH2-CG1 4.28Å; W362-V447 HydrophobicContact CZ2-CG1 3.94Å; W362-V447 VanDerWaalsContact CZ2-O 3.31Å; W362-V447 WeakPolarHBondContact CZ2-O 3.24Å
363N98.1Very high96.6Very high83 Ų8339.1 Ų39.144%0.44421%0.212SC..Hα-helixtrans-58.6-39.4174.6-174.4-4.7000112E359 K367E359-N363 VanDerWaalsContact O-CB 3.27Å; E359-N363 WeakPolarHBondContact O-CB 3.27Å; E359-N363 PolarHBondContact O-N 2.72Å; N363-K367 WeakPolarHBondContact O-CB 3.43Å; N363-K367 WeakPolarHBondContact O-CD 3.26Å; N363-K367 WeakPolarHBondContact O-CG 3.46Å; N363-K367 PolarHBondContact O-N 2.87Å; N363-K367 WeakPolarHBondContact OD1-CD 3.32Å; N363-K367 WeakPolarHBondContact OD1-CE 3.27Å; N363-K367 PolarHBondContact OD1-NZ 2.84Å
364I98.4Very high96.2Very high9 Ų936.4 Ų36.45%0.04619%0.193CC..Hα-helixtrans-67.1-46.1173.2-69.7160.8000111F323 F326 P327 L350 L356 K360 A361 W362 T368F323-I364 HydrophobicContact CB-CD1 4.09Å; F323-I364 WeakPolarHBondContact O-CD1 3.32Å; F326-I364 HydrophobicContact CB-CG2 3.93Å; F326-I364 HydrophobicContact CD1-CG2 3.9Å; F326-I364 HydrophobicContact CG-CG2 4.28Å; P327-I364 HydrophobicContact CG-CG2 4.33Å; L350-I364 HydrophobicContact CD1-CB 4.14Å; L350-I364 HydrophobicContact CD1-CG2 3.79Å; L356-I364 HydrophobicContact CD2-CD1 3.62Å; K360-I364 HydrophobicContact CG-CD1 4.13Å; K360-I364 WeakPolarHBondContact O-CD1 3.24Å; K360-I364 WeakPolarHBondContact O-CG1 3.15Å; K360-I364 PolarHBondContact O-N 2.72Å; K360-I364 VanDerWaalsContact O-N 3.15Å; A361-I364 PolarHBondContact O-N 3.28Å; W362-I364 VanDerWaalsContact C-N 3.29Å; W362-I364 PolarHBondContact O-N 2.81Å; I364-T368 WeakPolarHBondContact O-CB 3.03Å; I364-T368 PolarHBondContact O-N 2.72Å; I364-T368 VanDerWaalsContact O-N 3.11Å; I364-T368 PolarHBondContact O-OG1 3.01Å
365S98Very high95.7Very high0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-58.8-55.3-179.3-174.40000112.1A361 W362 K367 T368 F369A361-S365 WeakPolarHBondContact O-CB 3.12Å; A361-S365 PolarHBondContact O-N 3.31Å; W362-S365 PolarHBondContact O-N 3.04Å; W362-S365 VanDerWaalsContact O-N 3.13Å; S365-K367 VanDerWaalsContact C-N 3.33Å; S365-K367 PolarHBondContact O-N 2.97Å; S365-T368 WeakPolarHBondContact O-CA 3.41Å; S365-T368 WeakPolarHBondContact O-CB 3.1Å; S365-T368 PolarHBondContact O-N 3.05Å; S365-F369 VanDerWaalsContact O-CD2 3.25Å; S365-F369 WeakPolarHBondContact O-CD2 3.36Å; S365-F369 PolarHBondContact O-N 3.25Å; S365-F369 VanDerWaalsContact O-N 3.12Å; S365-F369 WeakPolarHBondContact OG-CE2 3.45Å
366V98.2Very high94.8Very high32 Ų3233.3 Ų33.319%0.19417%0.166CC..Hα-helixtrans-58.1-44.1-178.1174.80000111.6W362 T368 G448 H450W362-V366 HydrophobicContact CD2-CG2 3.98Å; W362-V366 HydrophobicContact CE3-CG2 4.43Å; W362-V366 HydrophobicContact CG-CG2 4.48Å; W362-V366 HydrophobicContact CH2-CG2 4.21Å; W362-V366 HydrophobicContact CZ2-CG2 3.73Å; W362-V366 WeakPolarHBondContact O-CG2 3.23Å; W362-V366 PolarHBondContact O-N 2.71Å; V366-T368 PolarHBondContact O-N 3.48Å; V366-G448 WeakPolarHBondContact CA-O 3.23Å; V366-H450 HydrophobicContact CG1-CB 4.22Å; V366-H450 WeakPolarHBondContact O-CB 3.32Å; V366-H450 PolarHBondContact O-N 3.45Å; V366-H450 PolarHBondContact O-ND1 2.73Å
367K98.5Very high93.9Very high112 Ų11233.5 Ų33.549%0.48717%0.167SC..Hα-helixtrans-68.2-17.1176.3-72.9174.5173.8161.90114.5P327 N363 S365 H450P327-K367 HydrophobicContact CB-CB 3.69Å; P327-K367 HydrophobicContact CG-CB 3.66Å; P327-K367 HydrophobicContact CG-CD 4.39Å; N363-K367 WeakPolarHBondContact O-CB 3.43Å; N363-K367 WeakPolarHBondContact O-CD 3.26Å; N363-K367 WeakPolarHBondContact O-CG 3.46Å; N363-K367 PolarHBondContact O-N 2.87Å; N363-K367 WeakPolarHBondContact OD1-CD 3.32Å; N363-K367 WeakPolarHBondContact OD1-CE 3.27Å; N363-K367 PolarHBondContact OD1-NZ 2.84Å; S365-K367 VanDerWaalsContact C-N 3.33Å; S365-K367 PolarHBondContact O-N 2.97Å; K367-H450 PolarHBondContact O-ND1 2.75Å
368T98.6Very high92.8Very high0 Ų032.5 Ų32.50%016%0.161CC..Hα-helixtrans-88.3-38.3179.4-590000111.7F326 V330 I332 L346 I364 S365 V366F326-T368 HydrophobicContact CD1-CG2 4.26Å; F326-T368 HydrophobicContact CE1-CG2 3.97Å; V330-T368 HydrophobicContact CB-CG2 4.44Å; V330-T368 HydrophobicContact CG1-CG2 3.82Å; I332-T368 HydrophobicContact CB-CG2 4.28Å; I332-T368 HydrophobicContact CD1-CG2 3.64Å; I332-T368 HydrophobicContact CG1-CG2 3.66Å; I332-T368 PolarHBondContact N-O 2.88Å; L346-T368 HydrophobicContact CD2-CG2 4.27Å; I364-T368 WeakPolarHBondContact O-CB 3.03Å; I364-T368 PolarHBondContact O-N 2.72Å; I364-T368 VanDerWaalsContact O-N 3.11Å; I364-T368 PolarHBondContact O-OG1 3.01Å; S365-T368 WeakPolarHBondContact O-CA 3.41Å; S365-T368 WeakPolarHBondContact O-CB 3.1Å; S365-T368 PolarHBondContact O-N 3.05Å; V366-T368 PolarHBondContact O-N 3.48Å
369F98.7Very high91.6Very high0 Ų036.8 Ų36.80%018%0.182CC..EExtended strand (participates in β ladder)trans-92.9139.2-173.8-67.8-65.8000114L303 I332 L334 A342 I343 L346 S365 S449 H450L303-F369 HydrophobicContact CD2-CZ 4.37Å; I332-F369 HydrophobicContact CB-CD1 3.73Å; I332-F369 HydrophobicContact CB-CE1 3.79Å; I332-F369 HydrophobicContact CD1-CD1 4.47Å; I332-F369 HydrophobicContact CD1-CE1 3.78Å; I332-F369 HydrophobicContact CD1-CZ 4.19Å; I332-F369 HydrophobicContact CG1-CE1 4.35Å; I332-F369 HydrophobicContact CG2-CD1 3.87Å; I332-F369 HydrophobicContact CG2-CE1 3.69Å; I332-F369 WeakPolarHBondContact O-CA 3.49Å; L334-F369 HydrophobicContact CD1-CD1 4.21Å; L334-F369 HydrophobicContact CD2-CD1 3.91Å; L334-F369 HydrophobicContact CD2-CE1 4.16Å; L334-F369 HydrophobicContact CG-CD1 4.14Å; A342-F369 VanDerWaalsContact C-CZ 3.41Å; A342-F369 HydrophobicContact CB-CD1 4.47Å; A342-F369 HydrophobicContact CB-CE1 3.48Å; A342-F369 VanDerWaalsContact CB-CE1 3.48Å; A342-F369 HydrophobicContact CB-CZ 3.63Å; A342-F369 WeakPolarHBondContact O-CZ 3.4Å; I343-F369 HydrophobicContact CB-CD2 4.49Å; I343-F369 HydrophobicContact CB-CE2 4.41Å; I343-F369 HydrophobicContact CG1-CB 4.49Å; I343-F369 HydrophobicContact CG1-CD2 3.61Å; I343-F369 HydrophobicContact CG1-CE2 3.93Å; I343-F369 HydrophobicContact CG1-CG 4Å; L346-F369 HydrophobicContact CB-CE2 3.89Å; L346-F369 HydrophobicContact CB-CZ 3.93Å; L346-F369 HydrophobicContact CD2-CD2 4.47Å; L346-F369 HydrophobicContact CD2-CE2 3.55Å; L346-F369 HydrophobicContact CD2-CZ 3.81Å; L346-F369 HydrophobicContact CG-CE2 4.35Å; S365-F369 VanDerWaalsContact O-CD2 3.25Å; S365-F369 WeakPolarHBondContact O-CD2 3.36Å; S365-F369 PolarHBondContact O-N 3.25Å; S365-F369 VanDerWaalsContact O-N 3.12Å; S365-F369 WeakPolarHBondContact OG-CE2 3.45Å; F369-S449 VanDerWaalsContact O-CA 3.28Å; F369-S449 WeakPolarHBondContact O-CA 3.38Å; F369-S449 WeakPolarHBondContact O-CB 3.44Å; F369-H450 PolarHBondContact O-CE1 2.88Å; F369-H450 VanDerWaalsContact O-CE1 3.29Å; F369-H450 PolarHBondContact O-N 3.43Å; F369-H450 VanDerWaalsContact O-N 3.08Å; F369-H450 PolarHBondContact O-ND1 3.05Å
370A98.3Very high90.6Very high2 Ų233.8 Ų33.82%0.01718%0.176CC..EExtended strand (participates in β ladder)trans-131145.6163.600000110.2I332 Q333 L334 A451 I812I332-A370 PolarHBondContact O-N 2.91Å; Q333-A370 WeakPolarHBondContact CA-O 3.45Å; Q333-A370 PolarHBondContact NE2-O 2.94Å; L334-A370 PolarHBondContact N-O 3.38Å; A370-A451 VanDerWaalsContact CA-O 3.27Å; A370-A451 WeakPolarHBondContact CA-O 3.08Å; A370-A451 HydrophobicContact CB-CB 4.13Å; A370-I812 HydrophobicContact CB-CG2 3.32Å
371Y96.8Very high89.9Confident0 Ų031.2 Ų31.20%017%0.166CC..EExtended strand (participates in β ladder)trans-121.1128.4-171.1162.2-129.7000112.1L334 T337 N373 C445 I446 A451 I452 N453 F468L334-Y371 HydrophobicContact CB-CD2 4.47Å; T337-Y371 HydrophobicContact CG2-CE2 3.99Å; Y371-N373 HydrophobicContact CE1-CB 4.21Å; Y371-N373 HydrophobicContact CE2-CB 4.32Å; Y371-N373 PolarHBondContact OH-ND2 3.12Å; Y371-C445 HydrophobicContact CD1-CB 3.49Å; Y371-C445 VanDerWaalsContact CD1-CB 3.49Å; Y371-C445 HydrophobicContact CD2-CB 3.84Å; Y371-C445 HydrophobicContact CE1-CB 3.79Å; Y371-C445 HydrophobicContact CE2-CB 4.12Å; Y371-C445 HydrophobicContact CG-CB 3.53Å; Y371-I446 HydrophobicContact CD1-CG1 4.11Å; Y371-I446 HydrophobicContact CE1-CG1 4Å; Y371-A451 PolarHBondContact N-O 3.43Å; Y371-I452 HydrophobicContact CD1-CB 4.34Å; Y371-I452 HydrophobicContact CD1-CG1 3.99Å; Y371-I452 HydrophobicContact CD1-CG2 3.48Å; Y371-I452 VanDerWaalsContact CD1-CG2 3.48Å; Y371-I452 HydrophobicContact CE1-CG2 4.01Å; Y371-I452 HydrophobicContact CG-CG2 4.27Å; Y371-I452 CarbonylContact O-C 3.51Å; Y371-I452 VanDerWaalsContact O-CA 3.23Å; Y371-I452 WeakPolarHBondContact O-CA 3.36Å; Y371-N453 PolarHBondContact O-N 3.07Å; Y371-N453 PolarHBondContact O-OD1 3.3Å; Y371-F468 HydrophobicContact CE1-CZ 4.48Å
372T93.5Very high89.6Confident0 Ų032.5 Ų32.50%017%0.172CC..EExtended strand (participates in β ladder)trans-105.3126.1170.4-54.20000109.8Q333 L334 D336 H374 N453 V455 Y808Q333-T372 PolarHBondContact NE2-OG1 3.06Å; L334-T372 PolarHBondContact O-N 2.88Å; D336-T372 WeakPolarHBondContact CA-O 3.24Å; D336-T372 PolarHBondContact N-O 2.99Å; T372-H374 VanDerWaalsContact CG2-NE2 3.31Å; T372-H374 WeakPolarHBondContact CG2-NE2 3.49Å; T372-H374 PolarHBondContact O-CD2 3.2Å; T372-N453 WeakPolarHBondContact CA-O 3.37Å; T372-N453 WeakPolarHBondContact CG2-ND2 2.89Å; T372-N453 PolarHBondContact OG1-OD1 2.96Å; T372-V455 HydrophobicContact CG2-CG1 3.63Å; T372-Y808 PolarHBondContact OG1-OH 2.88Å; T372-Y808 VanDerWaalsContact OG1-OH 3.1Å
373N89.5Confident89.3Confident0 Ų034.6 Ų34.60%018%0.18CC..  trans-96.8138172.8174.8-85.1000110.9Y371 T375 N453 H459 L463 F468Y371-N373 HydrophobicContact CE1-CB 4.21Å; Y371-N373 HydrophobicContact CE2-CB 4.32Å; Y371-N373 PolarHBondContact OH-ND2 3.12Å; N373-T375 PolarHBondContact ND2-O 3.38Å; N373-T375 PolarHBondContact OD1-N 3.49Å; N373-T375 PolarHBondContact OD1-O 3.38Å; N373-N453 PolarHBondContact N-O 3.06Å; N373-H459 PolarHBondContact O-CE1 3.08Å; N373-H459 PolarHBondContact OD1-CE1 2.93Å; N373-H459 PolarHBondContact OD1-NE2 3.48Å; N373-L463 HydrophobicContact CB-CD1 4.13Å; N373-F468 HydrophobicContact CB-CE2 4.37Å
374H86.9Confident89.1Confident34 Ų3431.4 Ų31.416%0.15716%0.162CC..  trans-117.59.8-178.7-55.4-100.9000113.6N335 D336 T372 A654N335-H374 PolarHBondContact OD1-CE1 2.93Å; N335-H374 VanDerWaalsContact OD1-CE1 3.26Å; N335-H374 PolarHBondContact OD1-NE2 2.85Å; D336-H374 WeakPolarHBondContact OD2-CB 3.47Å; D336-H374 IonicContact OD2-CD2 3.68Å; D336-H374 PolarHBondContact OD2-CD2 2.9Å; D336-H374 IonicContact OD2-CG 2.73Å; D336-H374 PolarHBondContact OD2-N 3.48Å; T372-H374 VanDerWaalsContact CG2-NE2 3.31Å; T372-H374 WeakPolarHBondContact CG2-NE2 3.49Å; T372-H374 PolarHBondContact O-CD2 3.2Å; H374-A654 WeakPolarHBondContact O-CB 3.3Å
375T82.6Confident88.9Confident20 Ų2031.4 Ų31.412%0.12316%0.162CC..  trans-152.9131.3-174.9-174.90000114.3N373 L377 A380 L381N373-T375 PolarHBondContact ND2-O 3.38Å; N373-T375 PolarHBondContact OD1-N 3.49Å; N373-T375 PolarHBondContact OD1-O 3.38Å; T375-L377 PolarHBondContact OG1-N 3.09Å; T375-L377 VanDerWaalsContact OG1-N 3.13Å; T375-A380 HydrophobicContact CG2-CB 3.87Å; T375-L381 HydrophobicContact CG2-CD2 3.97Å
376V75.7Confident88.8Confident20 Ų2032.5 Ų32.512%0.12117%0.169CC..  trans-88.5-17.3168.1-68.20000113.2P378 I462 L463 G651V376-P378 WeakPolarHBondContact O-CD 3.33Å; V376-I462 HydrophobicContact CG1-CG2 3.78Å; V376-L463 HydrophobicContact CG1-CD2 4.47Å; V376-G651 WeakPolarHBondContact CG2-O 3.23Å
377L75.5Confident88.7Confident27 Ų2734.8 Ų34.814%0.14119%0.186CC..  trans-72.5117.6-175.9-67.5178.1000110.4T375 E379 A380 Y554 T652T375-L377 PolarHBondContact OG1-N 3.09Å; T375-L377 VanDerWaalsContact OG1-N 3.13Å; L377-E379 HydrophobicContact CB-CG 4.41Å; L377-E379 PolarHBondContact O-N 2.8Å; L377-A380 HydrophobicContact CB-CB 4.27Å; L377-A380 PolarHBondContact O-N 2.83Å; L377-Y554 HydrophobicContact CD1-CD1 3.69Å; L377-Y554 HydrophobicContact CD1-CE1 3.71Å; L377-Y554 HydrophobicContact CD1-CG 4.39Å; L377-T652 HydrophobicContact CD2-CG2 4.43Å
378P72.3Confident88.6Confident75 Ų7529.6 Ų29.649%0.48716%0.164SC..G310 helixtrans-60.2-28.9-176.9-25.535.5000114.4V376 A380 L381V376-P378 WeakPolarHBondContact O-CD 3.33Å; P378-A380 PolarHBondContact O-N 3.2Å; P378-L381 PolarHBondContact O-N 2.97Å
379E71.9Confident88.5Confident128 Ų12829.6 Ų29.660%0.59816%0.164SC*.G310 helixtrans-71.9-11.6176.565.5-94.9-130.800114.2L377L377-E379 HydrophobicContact CB-CG 4.41Å; L377-E379 PolarHBondContact O-N 2.8Å
380A77.1Confident88.4Confident49 Ų4930.9 Ų30.941%0.40518%0.177SC..G310 helixtrans-103.82.5178.100000113.3T375 L377 P378T375-A380 HydrophobicContact CG2-CB 3.87Å; L377-A380 HydrophobicContact CB-CB 4.27Å; L377-A380 PolarHBondContact O-N 2.83Å; P378-A380 PolarHBondContact O-N 3.2Å
381L83.1Confident88.3Confident16 Ų1635.7 Ų35.78%0.08420%0.199CC..SBendtrans-87.9126.8173.8-59.8174.9000109.8T375 P378 R383 A442 T467T375-L381 HydrophobicContact CG2-CD2 3.97Å; P378-L381 PolarHBondContact O-N 2.97Å; L381-R383 PolarHBondContact O-N 3.06Å; L381-A442 HydrophobicContact CD2-CB 4.28Å; L381-T467 HydrophobicContact CD1-CG2 3.74Å; L381-T467 HydrophobicContact CD2-CG2 4.45Å
382E91.2Very high88.3Confident28 Ų2835.7 Ų35.713%0.13120%0.199CC..  trans-68.7125.2-178.5-64.6-169.4133.600111.7R291 Q295 H338 M441R291-E382 IonicContact NE-OE1 3.78Å; R291-E382 IonicContact NH2-OE1 2.72Å; Q295-E382 PolarHBondContact NE2-OE1 2.9Å; Q295-E382 PolarHBondContact NE2-OE2 2.94Å; H338-E382 WeakPolarHBondContact CA-OE2 3.35Å; H338-E382 IonicContact CD2-OE1 2.86Å; H338-E382 IonicContact CD2-OE2 2.77Å; E382-M441 HydrophobicContact CB-CB 4.2Å; E382-M441 HydrophobicContact CB-CG 4.02Å; E382-M441 WeakPolarHBondContact O-CB 3.44Å; E382-M441 WeakPolarHBondContact O-CG 3.49Å; E382-M441 PolarHBondContact O-N 2.83Å
383R91.9Very high88.6Confident92 Ų9235.7 Ų35.735%0.34720%0.199SC..EExtended strand (participates in β ladder)trans-13184.2-178.3-65.2173.6-169.2-129.14.9109.7L381 E429 R438 I439L381-R383 PolarHBondContact O-N 3.06Å; R383-E429 WeakPolarHBondContact CD-OE2 3.26Å; R383-E429 IonicContact CZ-OE1 2.95Å; R383-E429 IonicContact CZ-OE2 3.17Å; R383-E429 IonicContact NE-OE1 3.28Å; R383-E429 IonicContact NE-OE2 2.78Å; R383-E429 IonicContact NH1-OE1 2.64Å; R383-E429 PolarHBondContact NH1-OE1 3.43Å; R383-E429 IonicContact NH1-OE2 3.67Å; R383-E429 PolarHBondContact NH1-OE2 2.97Å; R383-R438 HydrophobicContact CB-CB 4.29Å; R383-I439 CarbonylContact C-O 3.17Å; R383-I439 VanDerWaalsContact CA-O 3.28Å; R383-I439 WeakPolarHBondContact CA-O 3.38Å
384W94.2Very high89Confident16 Ų1636.8 Ų36.86%0.06121%0.206CC..EExtended strand (participates in β ladder)trans-76.7134.4-172.3-71.6123000112.1R288 R291 L292 V386 L388 L389 R438 I439R288-W384 HydrophobicContact CB-CZ3 3.95Å; R288-W384 HydrophobicContact CG-CZ3 4.36Å; R291-W384 HydrophobicContact CB-CH2 3.97Å; R291-W384 HydrophobicContact CG-CH2 3.61Å; R291-W384 HydrophobicContact CG-CZ2 3.83Å; L292-W384 HydrophobicContact CB-CZ2 4.5Å; L292-W384 HydrophobicContact CD1-CD2 4.04Å; L292-W384 HydrophobicContact CD1-CG 3.99Å; W384-V386 PolarHBondContact O-N 3.19Å; W384-L388 HydrophobicContact CE3-CD2 3.94Å; W384-L388 HydrophobicContact CZ3-CD2 4.28Å; W384-L389 HydrophobicContact CB-CD1 3.74Å; W384-L389 HydrophobicContact CB-CG 4.1Å; W384-R438 CarbonylContact O-C 3.51Å; W384-R438 VanDerWaalsContact O-CA 3.28Å; W384-R438 WeakPolarHBondContact O-CA 3.25Å; W384-I439 PolarHBondContact N-O 3.44Å; W384-I439 VanDerWaalsContact N-O 3.08Å; W384-I439 PolarHBondContact O-N 3.39Å
385P94.6Very high89.6Confident9 Ų936.1 Ų36.16%0.05820%0.202CC..EExtended strand (participates in β ladder)trans-56.7135.5173.8-26.936.1000112.5S387 L388 L389 E436P385-S387 PolarHBondContact O-N 3.48Å; P385-L388 HydrophobicContact CB-CB 4.03Å; P385-L388 HydrophobicContact CG-CB 4.46Å; P385-L388 PolarHBondContact O-N 3.02Å; P385-L388 VanDerWaalsContact O-N 3.15Å; P385-L389 PolarHBondContact O-N 2.79Å; P385-E436 WeakPolarHBondContact CB-OE2 3.4Å; P385-E436 WeakPolarHBondContact CG-OE2 3.35Å
386V96.8Very high90.3Very high23 Ų2335.1 Ų35.114%0.13920%0.196CC..Hα-helixtrans-59.7-35.9176.4162.40000111.4W384 G390 L397 Y401 K437 I439W384-V386 PolarHBondContact O-N 3.19Å; V386-G390 PolarHBondContact O-N 3.1Å; V386-L397 HydrophobicContact CG1-CD2 4.18Å; V386-Y401 WeakPolarHBondContact CG1-OH 3.1Å; V386-K437 HydrophobicContact CB-CB 4.04Å; V386-K437 WeakPolarHBondContact CB-O 3.41Å; V386-K437 HydrophobicContact CG2-CB 3.76Å; V386-K437 PolarHBondContact N-O 3Å; V386-I439 HydrophobicContact CG2-CD1 3.82Å; V386-I439 HydrophobicContact CG2-CG1 4.09Å
387S95.3Very high91.4Very high79 Ų7935 Ų3555%0.55220%0.195SC*.Hα-helixtrans-59.8-47.6173.747.30000112.3P385 G390 H391P385-S387 PolarHBondContact O-N 3.48Å; S387-G390 PolarHBondContact O-N 2.9Å; S387-H391 WeakPolarHBondContact O-CB 3.43Å; S387-H391 PolarHBondContact O-N 2.84Å
388L95.5Very high92.5Very high3 Ų336.4 Ų36.42%0.01620%0.201CC..Hα-helixtrans-66-45.4179.7-177.964.8000111.7F285 R288 E289 L292 W384 P385 H391 L392F285-L388 HydrophobicContact CE1-CD1 4.48Å; F285-L388 HydrophobicContact CE2-CD1 3.91Å; F285-L388 HydrophobicContact CZ-CD1 3.71Å; R288-L388 HydrophobicContact CB-CD2 4.15Å; E289-L388 HydrophobicContact CB-CD1 3.88Å; E289-L388 HydrophobicContact CG-CD1 3.92Å; L292-L388 HydrophobicContact CD2-CD2 3.99Å; L292-L388 HydrophobicContact CD2-CG 3.82Å; W384-L388 HydrophobicContact CE3-CD2 3.94Å; W384-L388 HydrophobicContact CZ3-CD2 4.28Å; P385-L388 HydrophobicContact CB-CB 4.03Å; P385-L388 HydrophobicContact CG-CB 4.46Å; P385-L388 PolarHBondContact O-N 3.02Å; P385-L388 VanDerWaalsContact O-N 3.15Å; L388-H391 PolarHBondContact O-N 2.9Å; L388-L392 WeakPolarHBondContact O-CB 3.5Å; L388-L392 PolarHBondContact O-N 2.97Å
389L97.1Very high93.8Very high0 Ų032.9 Ų32.90%018%0.178CC..Hα-helixtrans-64.2-41.5175.3-85.8166.8000112.2L292 L341 W384 P385 H391 L393 L397 I439L292-L389 HydrophobicContact CD1-CD2 4.2Å; L292-L389 HydrophobicContact CD2-CD2 3.99Å; L292-L389 HydrophobicContact CD2-CG 4.23Å; L341-L389 HydrophobicContact CD2-CD2 4.3Å; W384-L389 HydrophobicContact CB-CD1 3.74Å; W384-L389 HydrophobicContact CB-CG 4.1Å; P385-L389 PolarHBondContact O-N 2.79Å; L389-H391 VanDerWaalsContact C-N 3.34Å; L389-H391 PolarHBondContact O-N 2.8Å; L389-L393 HydrophobicContact CD2-CD1 4.21Å; L389-L393 CarbonylContact O-C 3.5Å; L389-L393 WeakPolarHBondContact O-CA 3.33Å; L389-L393 PolarHBondContact O-N 2.8Å; L389-L397 HydrophobicContact CB-CD1 4.42Å; L389-I439 HydrophobicContact CD1-CB 3.78Å; L389-I439 HydrophobicContact CD1-CG1 3.51Å
390G97.2Very high95.1Very high28 Ų2826.8 Ų26.829%0.28915%0.149SC..Hα-helixtrans-67.1-32.9177.800000113.5V386 S387 P394V386-G390 PolarHBondContact O-N 3.1Å; S387-G390 PolarHBondContact O-N 2.9Å; G390-P394 WeakPolarHBondContact O-CB 3.39Å
391H96.4Very high96.1Very high103 Ų10328.6 Ų28.648%0.47715%0.146SC..Hα-helixtrans-74.3-46.2175.2178.248.1000112.6Y201 S387 L388 L389Y201-H391 AromaticContact CD1-CE1 3.72Å; Y201-H391 AromaticContact CD1-NE2 3.65Å; Y201-H391 AromaticContact CE1-CD2 3.9Å; Y201-H391 AromaticContact CE1-CE1 3.92Å; Y201-H391 AromaticContact CE1-NE2 3.4Å; Y201-H391 WeakPolarHBondContact CE1-NE2 3.35Å; S387-H391 WeakPolarHBondContact O-CB 3.43Å; S387-H391 PolarHBondContact O-N 2.84Å; L388-H391 PolarHBondContact O-N 2.9Å; L389-H391 VanDerWaalsContact C-N 3.34Å; L389-H391 PolarHBondContact O-N 2.8Å
392L97.1Very high96.8Very high0 Ų031.5 Ų31.50%016%0.159CC..Hα-helixtrans-87-35.5-172.2-171.271.2000113.6F200 Y201 E289 L292 K293 L388F200-L392 HydrophobicContact CB-CD1 4.26Å; F200-L392 HydrophobicContact CD1-CD1 3.72Å; F200-L392 HydrophobicContact CD1-CD2 4.33Å; F200-L392 HydrophobicContact CD1-CG 3.95Å; F200-L392 HydrophobicContact CG-CD1 4.39Å; Y201-L392 HydrophobicContact CD1-CD1 3.89Å; Y201-L392 HydrophobicContact CE1-CD1 3.61Å; Y201-L392 HydrophobicContact CG-CD1 4.49Å; Y201-L392 PolarHBondContact N-O 2.84Å; E289-L392 HydrophobicContact CG-CD1 4.45Å; L292-L392 HydrophobicContact CB-CD2 4.11Å; L292-L392 HydrophobicContact CD2-CD2 3.75Å; L292-L392 HydrophobicContact CG-CD2 3.79Å; K293-L392 HydrophobicContact CD-CD1 4.4Å; K293-L392 HydrophobicContact CG-CD1 3.93Å; K293-L392 HydrophobicContact CG-CD2 3.81Å; K293-L392 HydrophobicContact CG-CG 4.49Å; L388-L392 WeakPolarHBondContact O-CB 3.5Å; L388-L392 PolarHBondContact O-N 2.97Å
393L98.5Very high97.2Very high0 Ų030.3 Ų30.30%015%0.154CC..  trans-140.157.3-168.6-61.3175.9000111.4F200 W214 Y296 L341 L389 R395 H396 L397F200-L393 HydrophobicContact CD1-CD2 4.44Å; W214-L393 HydrophobicContact CH2-CD2 4.02Å; W214-L393 HydrophobicContact CZ2-CD2 4.34Å; Y296-L393 HydrophobicContact CD1-CD2 3.56Å; Y296-L393 HydrophobicContact CD2-CD1 3.93Å; Y296-L393 HydrophobicContact CD2-CD2 3.86Å; Y296-L393 HydrophobicContact CE1-CD2 3.81Å; Y296-L393 HydrophobicContact CE2-CD2 4.12Å; Y296-L393 HydrophobicContact CG-CD1 3.9Å; Y296-L393 HydrophobicContact CG-CD2 3.58Å; Y296-L393 HydrophobicContact CG-CG 4.41Å; L341-L393 HydrophobicContact CD1-CD1 3.79Å; L341-L393 HydrophobicContact CD2-CD1 4.39Å; L389-L393 HydrophobicContact CD2-CD1 4.21Å; L389-L393 CarbonylContact O-C 3.5Å; L389-L393 WeakPolarHBondContact O-CA 3.33Å; L389-L393 PolarHBondContact O-N 2.8Å; L393-R395 VanDerWaalsContact C-N 3.28Å; L393-R395 PolarHBondContact O-N 3.36Å; L393-H396 HydrophobicContact CB-CB 4.05Å; L393-H396 PolarHBondContact O-N 3.4Å; L393-L397 PolarHBondContact O-N 3.11Å; L393-L397 VanDerWaalsContact O-N 3.11Å
394P98.5Very high97.4Very high22 Ų2226.7 Ų26.714%0.14314%0.141CC..Hα-helixtrans-57.9-37-170.221.2-33.2000113.5Y201 V204 G390 L397 E398Y201-P394 WeakPolarHBondContact O-CD 3.42Å; V204-P394 HydrophobicContact CG2-CB 4.42Å; G390-P394 WeakPolarHBondContact O-CB 3.39Å; P394-L397 PolarHBondContact O-N 3.45Å; P394-E398 PolarHBondContact O-N 3.11Å
395R98.5Very high97.6Very high20 Ų2031.5 Ų31.58%0.07517%0.165CC..Hα-helixtrans-69.1-36.5178.1-175.554.6-175.7134.98.7112.5V204 S212 W214 R348 D352 L393 L397 E398 I399V204-R395 HydrophobicContact CG2-CB 3.74Å; V204-R395 HydrophobicContact CG2-CG 4.38Å; S212-R395 VanDerWaalsContact CB-CZ 3.49Å; S212-R395 PolarHBondContact OG-NH1 2.91Å; W214-R395 HydrophobicContact CB-CB 4.22Å; W214-R395 HydrophobicContact CD2-CB 4.33Å; W214-R395 HydrophobicContact CG-CB 4.11Å; R348-R395 HydrophobicContact CG-CG 3.92Å; D352-R395 IonicContact OD1-CZ 2.73Å; D352-R395 IonicContact OD1-NE 2.72Å; D352-R395 PolarHBondContact OD1-NE 3.29Å; D352-R395 IonicContact OD1-NH2 3.64Å; D352-R395 PolarHBondContact OD1-NH2 3.05Å; D352-R395 IonicContact OD2-CZ 3.16Å; D352-R395 IonicContact OD2-NE 2.68Å; D352-R395 PolarHBondContact OD2-NE 3.01Å; D352-R395 IonicContact OD2-NH2 2.7Å; L393-R395 VanDerWaalsContact C-N 3.28Å; L393-R395 PolarHBondContact O-N 3.36Å; R395-L397 VanDerWaalsContact C-N 3.32Å; R395-E398 VanDerWaalsContact CD-OE2 3.26Å; R395-E398 WeakPolarHBondContact CD-OE2 3.21Å; R395-E398 IonicContact CZ-OE2 3.74Å; R395-E398 IonicContact NE-OE2 3.17Å; R395-E398 IonicContact NH1-OE2 2.75Å; R395-E398 PolarHBondContact NH1-OE2 3.25Å; R395-E398 PolarHBondContact O-N 3.35Å; R395-I399 HydrophobicContact CG-CD1 4.15Å; R395-I399 WeakPolarHBondContact O-CG1 3.33Å; R395-I399 PolarHBondContact O-N 3.11Å; R395-I399 VanDerWaalsContact O-N 3.12Å
396H98.8Very high97.7Very high0 Ų034.4 Ų34.40%018%0.176CC..Hα-helixtrans-69.3-33.1176.7-54.878.5000111.3W214 Y296 P344 E345 L393 I399 I400W214-H396 AromaticContact CH2-CE1 3.82Å; W214-H396 AromaticContact CZ3-CE1 3.63Å; Y296-H396 AromaticContact CE2-CD2 3.97Å; Y296-H396 AromaticContact CE2-CE1 3.48Å; Y296-H396 VanDerWaalsContact CE2-CE1 3.48Å; Y296-H396 WeakPolarHBondContact CE2-CE1 3.21Å; Y296-H396 AromaticContact CE2-NE2 3.26Å; Y296-H396 VanDerWaalsContact CE2-NE2 3.26Å; Y296-H396 WeakPolarHBondContact CE2-NE2 3.01Å; Y296-H396 AromaticContact CZ-CE1 3.59Å; Y296-H396 AromaticContact CZ-NE2 3.73Å; Y296-H396 PolarHBondContact OH-CE1 2.98Å; P344-H396 HydrophobicContact CB-CB 4.3Å; E345-H396 IonicContact OE2-CD2 2.71Å; E345-H396 IonicContact OE2-CE1 3.91Å; E345-H396 IonicContact OE2-NE2 3.72Å; E345-H396 PolarHBondContact OE2-NE2 3.24Å; L393-H396 HydrophobicContact CB-CB 4.05Å; L393-H396 PolarHBondContact O-N 3.4Å; H396-I399 PolarHBondContact O-N 3.29Å; H396-I400 WeakPolarHBondContact O-CB 3.42Å; H396-I400 WeakPolarHBondContact O-CD1 3.45Å; H396-I400 WeakPolarHBondContact O-CG1 3.31Å; H396-I400 PolarHBondContact O-N 3.47Å
397L98.7Very high97.7Very high17 Ų1735 Ų359%0.08918%0.177CC..Hα-helixtrans-65.4-42.4172.7-174.663000112.2V386 L389 L393 P394 R395 I399 I400 Y401 I439V386-L397 HydrophobicContact CG1-CD2 4.18Å; L389-L397 HydrophobicContact CB-CD1 4.42Å; L393-L397 PolarHBondContact O-N 3.11Å; L393-L397 VanDerWaalsContact O-N 3.11Å; P394-L397 PolarHBondContact O-N 3.45Å; R395-L397 VanDerWaalsContact C-N 3.32Å; L397-I399 VanDerWaalsContact C-N 3.31Å; L397-I399 PolarHBondContact O-N 3.27Å; L397-I400 PolarHBondContact O-N 2.82Å; L397-Y401 HydrophobicContact CD1-CD2 4.38Å; L397-Y401 HydrophobicContact CD1-CE1 4.12Å; L397-Y401 HydrophobicContact CD1-CE2 3.87Å; L397-Y401 HydrophobicContact CD2-CE2 4Å; L397-Y401 HydrophobicContact CG-CD2 4.09Å; L397-Y401 HydrophobicContact CG-CE2 3.62Å; L397-Y401 WeakPolarHBondContact O-CD2 3.42Å; L397-Y401 PolarHBondContact O-N 2.89Å; L397-I439 HydrophobicContact CD1-CD1 4.22Å; L397-I439 HydrophobicContact CD1-CG1 4.28Å
398E98.4Very high97.7Very high57 Ų5732.5 Ų32.527%0.26616%0.157SC..Hα-helixtrans-55.4-46.8170.5-71.2-166.8134.200111.4K206 S212 P394 R395 Y401 E402K206-E398 IonicContact NZ-OE1 3.32Å; S212-E398 PolarHBondContact OG-OE2 3.09Å; P394-E398 PolarHBondContact O-N 3.11Å; R395-E398 VanDerWaalsContact CD-OE2 3.26Å; R395-E398 WeakPolarHBondContact CD-OE2 3.21Å; R395-E398 IonicContact CZ-OE2 3.74Å; R395-E398 IonicContact NE-OE2 3.17Å; R395-E398 IonicContact NH1-OE2 2.75Å; R395-E398 PolarHBondContact NH1-OE2 3.25Å; R395-E398 PolarHBondContact O-N 3.35Å; E398-Y401 PolarHBondContact O-N 3.44Å; E398-E402 PolarHBondContact O-N 3.24Å
399I98.7Very high97.6Very high0 Ų035.9 Ų35.90%018%0.175CC..Hα-helixtrans-65.7-40.8-178.5-68.7168.9000111.1P344 M347 R348 W358 R395 H396 L397 Y401 E402 I403P344-I399 HydrophobicContact CB-CB 4.25Å; P344-I399 HydrophobicContact CB-CG2 3.67Å; M347-I399 HydrophobicContact CB-CG2 3.81Å; M347-I399 HydrophobicContact CG-CG2 4.5Å; R348-I399 HydrophobicContact CB-CD1 3.6Å; R348-I399 HydrophobicContact CG-CD1 3.98Å; W358-I399 HydrophobicContact CH2-CB 4.43Å; W358-I399 HydrophobicContact CH2-CG2 3.89Å; W358-I399 HydrophobicContact CZ3-CG1 4.37Å; W358-I399 HydrophobicContact CZ3-CG2 4.31Å; R395-I399 HydrophobicContact CG-CD1 4.15Å; R395-I399 WeakPolarHBondContact O-CG1 3.33Å; R395-I399 PolarHBondContact O-N 3.11Å; R395-I399 VanDerWaalsContact O-N 3.12Å; H396-I399 PolarHBondContact O-N 3.29Å; L397-I399 VanDerWaalsContact C-N 3.31Å; L397-I399 PolarHBondContact O-N 3.27Å; I399-Y401 VanDerWaalsContact C-N 3.34Å; I399-Y401 PolarHBondContact O-N 2.98Å; I399-E402 PolarHBondContact O-N 3.14Å; I399-I403 HydrophobicContact CG2-CD1 3.93Å; I399-I403 VanDerWaalsContact O-CG1 3.22Å; I399-I403 WeakPolarHBondContact O-CG1 3.33Å; I399-I403 PolarHBondContact O-N 2.8Å
400I98.8Very high97.4Very high0 Ų039.3 Ų39.30%019%0.191CC..Hα-helixtrans-63.6-38.8175.5-72.1163000111.1P344 H396 L397 N404 I439 L444P344-I400 HydrophobicContact CB-CG1 4.12Å; P344-I400 HydrophobicContact CG-CD1 4.23Å; P344-I400 HydrophobicContact CG-CG1 4.13Å; H396-I400 WeakPolarHBondContact O-CB 3.42Å; H396-I400 WeakPolarHBondContact O-CD1 3.45Å; H396-I400 WeakPolarHBondContact O-CG1 3.31Å; H396-I400 PolarHBondContact O-N 3.47Å; L397-I400 PolarHBondContact O-N 2.82Å; I400-N404 WeakPolarHBondContact O-CB 3.46Å; I400-N404 PolarHBondContact O-N 3.34Å; I400-I439 HydrophobicContact CD1-CG2 4.5Å; I400-I439 HydrophobicContact CG2-CD1 3.98Å; I400-I439 HydrophobicContact CG2-CG1 4.31Å; I400-I439 HydrophobicContact CG2-CG2 3.85Å; I400-L444 HydrophobicContact CD1-CD2 4.28Å; I400-L444 HydrophobicContact CG1-CD1 4.45Å; I400-L444 HydrophobicContact CG1-CD2 4.22Å
401Y98.6Very high97.1Very high87 Ų8738.1 Ų38.134%0.34118%0.178SC..Hα-helixtrans-67.6-42.1175.3-70.9-36.8000112.8V386 L397 E398 I399 N404 Q405 V428 I439V386-Y401 WeakPolarHBondContact CG1-OH 3.1Å; L397-Y401 HydrophobicContact CD1-CD2 4.38Å; L397-Y401 HydrophobicContact CD1-CE1 4.12Å; L397-Y401 HydrophobicContact CD1-CE2 3.87Å; L397-Y401 HydrophobicContact CD2-CE2 4Å; L397-Y401 HydrophobicContact CG-CD2 4.09Å; L397-Y401 HydrophobicContact CG-CE2 3.62Å; L397-Y401 WeakPolarHBondContact O-CD2 3.42Å; L397-Y401 PolarHBondContact O-N 2.89Å; E398-Y401 PolarHBondContact O-N 3.44Å; I399-Y401 VanDerWaalsContact C-N 3.34Å; I399-Y401 PolarHBondContact O-N 2.98Å; Y401-N404 PolarHBondContact O-N 3.42Å; Y401-Q405 WeakPolarHBondContact O-CB 3.3Å; Y401-Q405 PolarHBondContact O-N 3.37Å; Y401-V428 HydrophobicContact CD1-CG2 3.71Å; Y401-V428 HydrophobicContact CE1-CG1 4.34Å; Y401-V428 HydrophobicContact CE1-CG2 3.63Å; Y401-I439 HydrophobicContact CE1-CD1 4.38Å
402E98.2Very high96.9Very high78 Ų7836.6 Ų36.636%0.36417%0.173SC..Hα-helixtrans-63.7-40.4175.7-174.573.4-169.300111.7W358 E398 I399 K406W358-E402 HydrophobicContact CD2-CG 4.08Å; W358-E402 HydrophobicContact CE3-CG 4.14Å; W358-E402 HydrophobicContact CH2-CB 3.59Å; W358-E402 HydrophobicContact CH2-CG 3.51Å; W358-E402 HydrophobicContact CZ2-CB 3.86Å; W358-E402 HydrophobicContact CZ2-CG 3.45Å; W358-E402 VanDerWaalsContact CZ2-CG 3.45Å; W358-E402 HydrophobicContact CZ3-CB 4.19Å; W358-E402 HydrophobicContact CZ3-CG 3.87Å; E398-E402 PolarHBondContact O-N 3.24Å; I399-E402 PolarHBondContact O-N 3.14Å; E402-K406 HydrophobicContact CG-CD 4.33Å; E402-K406 WeakPolarHBondContact O-CG 3.16Å; E402-K406 PolarHBondContact O-N 3.36Å; E402-K406 VanDerWaalsContact O-N 3.12Å; E402-K406 WeakPolarHBondContact OE1-CE 3.45Å; E402-K406 IonicContact OE1-NZ 3.39Å
403I98.6Very high96.7Very high3 Ų344.6 Ų44.62%0.01520%0.204CC..Hα-helixtrans-59.4-49.7171-68.5165.2000110.2I343 W358 W362 I399 Q405 F407 L427 L444 V447I343-I403 HydrophobicContact CG2-CD1 4.21Å; W358-I403 HydrophobicContact CH2-CG1 4.08Å; W358-I403 HydrophobicContact CZ2-CG1 3.77Å; W362-I403 HydrophobicContact CE3-CD1 4.37Å; W362-I403 HydrophobicContact CE3-CG1 4.2Å; W362-I403 HydrophobicContact CH2-CB 4.47Å; W362-I403 HydrophobicContact CH2-CD1 4.06Å; W362-I403 HydrophobicContact CH2-CG1 3.99Å; W362-I403 HydrophobicContact CH2-CG2 3.63Å; W362-I403 HydrophobicContact CZ2-CG2 4.12Å; W362-I403 HydrophobicContact CZ3-CD1 3.57Å; W362-I403 HydrophobicContact CZ3-CG1 3.68Å; W362-I403 HydrophobicContact CZ3-CG2 4.21Å; I399-I403 HydrophobicContact CG2-CD1 3.93Å; I399-I403 VanDerWaalsContact O-CG1 3.22Å; I399-I403 WeakPolarHBondContact O-CG1 3.33Å; I399-I403 PolarHBondContact O-N 2.8Å; I403-Q405 PolarHBondContact O-N 3.24Å; I403-F407 VanDerWaalsContact O-CB 3.25Å; I403-F407 WeakPolarHBondContact O-CB 3.34Å; I403-F407 PolarHBondContact O-N 2.88Å; I403-L427 HydrophobicContact CG2-CD2 3.82Å; I403-L444 HydrophobicContact CD1-CD1 4.22Å; I403-V447 HydrophobicContact CG2-CG1 3.96Å
404N98Very high96.3Very high15 Ų1551.8 Ų51.88%0.0823%0.231CC..Hα-helixtrans-61.7-44.5-178.9-169.954.7000111.9I400 Y401 F407 L408 S426 L427 V428I400-N404 WeakPolarHBondContact O-CB 3.46Å; I400-N404 PolarHBondContact O-N 3.34Å; Y401-N404 PolarHBondContact O-N 3.42Å; N404-F407 PolarHBondContact O-N 3.47Å; N404-L408 WeakPolarHBondContact O-CB 3.44Å; N404-L408 VanDerWaalsContact O-CG 3.28Å; N404-L408 WeakPolarHBondContact O-CG 3.24Å; N404-L408 PolarHBondContact O-N 2.93Å; N404-S426 PolarHBondContact ND2-OG 2.85Å; N404-S426 PolarHBondContact OD1-OG 2.86Å; N404-L427 HydrophobicContact CB-CB 4.18Å; N404-L427 HydrophobicContact CB-CD2 4.49Å; N404-L427 WeakPolarHBondContact OD1-CB 3.45Å; N404-L427 PolarHBondContact OD1-N 3.08Å; N404-V428 HydrophobicContact CB-CG2 4.4Å
405Q97.9Very high95.9Very high118 Ų11855.6 Ų55.655%0.55124%0.243SC*.Hα-helixtrans-60.9-53.4179.1-178.2173.7-22.400111.1Y401 I403 F407 L408 D409Y401-Q405 WeakPolarHBondContact O-CB 3.3Å; Y401-Q405 PolarHBondContact O-N 3.37Å; I403-Q405 PolarHBondContact O-N 3.24Å; Q405-F407 VanDerWaalsContact C-N 3.27Å; Q405-F407 PolarHBondContact O-N 3.39Å; Q405-L408 PolarHBondContact O-N 3.44Å; Q405-D409 WeakPolarHBondContact O-CB 3.32Å; Q405-D409 VanDerWaalsContact O-CG 3.3Å; Q405-D409 PolarHBondContact O-N 2.89Å
406K96.9Very high95.5Very high69 Ų6959.2 Ų59.230%0.327%0.269SS..Hα-helixtrans-60.2-36.7179.6-73.2171-179.6-79.60112.9W358 E359 E402 E410W358-K406 VanDerWaalsContact CD1-CE 3.46Å; W358-K406 VanDerWaalsContact NE1-CD 3.26Å; E359-K406 IonicContact OE1-NZ 3.22Å; E359-K406 PolarHBondContact OE1-NZ 3.07Å; E402-K406 HydrophobicContact CG-CD 4.33Å; E402-K406 WeakPolarHBondContact O-CG 3.16Å; E402-K406 PolarHBondContact O-N 3.36Å; E402-K406 VanDerWaalsContact O-N 3.12Å; E402-K406 WeakPolarHBondContact OE1-CE 3.45Å; E402-K406 IonicContact OE1-NZ 3.39Å; K406-E410 PolarHBondContact O-N 2.84Å
407F96Very high94.9Very high37 Ų3764 Ų6416%0.16231%0.308CS..Hα-helixtrans-67.7-46.8175.3176.4-118000112I403 N404 Q405 D409 E410 V411 M425 L427 V447I403-F407 VanDerWaalsContact O-CB 3.25Å; I403-F407 WeakPolarHBondContact O-CB 3.34Å; I403-F407 PolarHBondContact O-N 2.88Å; N404-F407 PolarHBondContact O-N 3.47Å; Q405-F407 VanDerWaalsContact C-N 3.27Å; Q405-F407 PolarHBondContact O-N 3.39Å; F407-D409 VanDerWaalsContact C-N 3.35Å; F407-D409 PolarHBondContact O-N 2.96Å; F407-E410 WeakPolarHBondContact O-CA 3.18Å; F407-E410 WeakPolarHBondContact O-CB 3.34Å; F407-E410 PolarHBondContact O-N 3.12Å; F407-E410 VanDerWaalsContact O-N 3.07Å; F407-V411 HydrophobicContact CD1-CG2 4.47Å; F407-V411 HydrophobicContact CD2-CG2 4.48Å; F407-V411 HydrophobicContact CE1-CG2 4.17Å; F407-V411 HydrophobicContact CE2-CG2 4.17Å; F407-V411 HydrophobicContact CZ-CG2 4.03Å; F407-V411 WeakPolarHBondContact O-CG2 3.25Å; F407-V411 PolarHBondContact O-N 3.16Å; F407-M425 HydrophobicContact CE1-CB 4.05Å; F407-M425 HydrophobicContact CE1-CE 4.25Å; F407-M425 WeakPolarHBondContact CE1-O 3.47Å; F407-M425 HydrophobicContact CE2-CE 4.32Å; F407-M425 HydrophobicContact CZ-CB 4.5Å; F407-M425 HydrophobicContact CZ-CE 3.56Å; F407-L427 HydrophobicContact CD1-CD1 3.86Å; F407-L427 HydrophobicContact CE1-CD1 4.25Å; F407-V447 HydrophobicContact CB-CG1 4.04Å; F407-V447 HydrophobicContact CD1-CG1 4.46Å; F407-V447 HydrophobicContact CD1-CG2 3.81Å; F407-V447 HydrophobicContact CD2-CB 4.48Å; F407-V447 HydrophobicContact CD2-CG1 3.84Å; F407-V447 HydrophobicContact CD2-CG2 3.78Å; F407-V447 HydrophobicContact CE1-CG2 3.55Å; F407-V447 HydrophobicContact CE2-CG1 4.38Å; F407-V447 HydrophobicContact CE2-CG2 3.53Å; F407-V447 HydrophobicContact CG-CG1 3.87Å; F407-V447 HydrophobicContact CG-CG2 3.9Å; F407-V447 HydrophobicContact CZ-CG2 3.39Å
408L94.4Very high94.4Very high26 Ų2665.3 Ų65.314%0.13632%0.315CS..Hα-helixtrans-68.9-31.9178.7-67.2-176.5000112.6N404 Q405 E410 V411 L412 I422 M425N404-L408 WeakPolarHBondContact O-CB 3.44Å; N404-L408 VanDerWaalsContact O-CG 3.28Å; N404-L408 WeakPolarHBondContact O-CG 3.24Å; N404-L408 PolarHBondContact O-N 2.93Å; Q405-L408 PolarHBondContact O-N 3.44Å; L408-E410 VanDerWaalsContact C-N 3.26Å; L408-E410 PolarHBondContact O-N 3.44Å; L408-V411 HydrophobicContact CD2-CG2 4.48Å; L408-V411 PolarHBondContact O-N 3.11Å; L408-L412 WeakPolarHBondContact O-CB 3.25Å; L408-L412 PolarHBondContact O-N 2.76Å; L408-I422 HydrophobicContact CB-CG2 4.24Å; L408-I422 HydrophobicContact CD1-CG2 3.99Å; L408-I422 HydrophobicContact CD2-CG2 3.93Å; L408-I422 WeakPolarHBondContact CD2-O 3.24Å; L408-I422 HydrophobicContact CG-CG2 4.26Å; L408-M425 HydrophobicContact CD2-CB 4.5Å
409D94.9Very high94Very high73 Ų7368.5 Ų68.539%0.3933%0.331SS..Hα-helixtrans-60.9-34.6168.6-73.7-27.1000111.7Q405 F407 R413Q405-D409 WeakPolarHBondContact O-CB 3.32Å; Q405-D409 VanDerWaalsContact O-CG 3.3Å; Q405-D409 PolarHBondContact O-N 2.89Å; F407-D409 VanDerWaalsContact C-N 3.35Å; F407-D409 PolarHBondContact O-N 2.96Å; D409-R413 VanDerWaalsContact O-CB 3.25Å; D409-R413 WeakPolarHBondContact O-CB 3.37Å; D409-R413 PolarHBondContact O-N 3.49Å; D409-R413 VanDerWaalsContact O-N 3.14Å; D409-R413 PolarHBondContact O-NH2 3.03Å
410E92.5Very high93.6Very high72 Ų7271.7 Ų71.734%0.33635%0.348SS..Hα-helixtrans-75.5-40.2172.8178.7164.8-14800112.8K406 F407 L408 R413 R414K406-E410 PolarHBondContact O-N 2.84Å; F407-E410 WeakPolarHBondContact O-CA 3.18Å; F407-E410 WeakPolarHBondContact O-CB 3.34Å; F407-E410 PolarHBondContact O-N 3.12Å; F407-E410 VanDerWaalsContact O-N 3.07Å; L408-E410 VanDerWaalsContact C-N 3.26Å; L408-E410 PolarHBondContact O-N 3.44Å; E410-R413 PolarHBondContact O-N 3.48Å; E410-R414 HydrophobicContact CG-CG 4.36Å; E410-R414 WeakPolarHBondContact O-CB 3.38Å; E410-R414 WeakPolarHBondContact O-CG 3.17Å; E410-R414 PolarHBondContact O-N 3.46Å; E410-R414 IonicContact OE1-CZ 3.2Å; E410-R414 IonicContact OE1-NE 2.81Å; E410-R414 PolarHBondContact OE1-NE 3.21Å; E410-R414 IonicContact OE1-NH2 2.75Å; E410-R414 PolarHBondContact OE1-NH2 2.94Å; E410-R414 IonicContact OE2-NH2 3.06Å
411V90.5Very high93Very high3 Ų374 Ų742%0.01836%0.357CS..Hα-helixtrans-59.8-46.8174.1173.70000110.5F407 L408 R413 R414 W415 R421 I422 M425F407-V411 HydrophobicContact CD1-CG2 4.47Å; F407-V411 HydrophobicContact CD2-CG2 4.48Å; F407-V411 HydrophobicContact CE1-CG2 4.17Å; F407-V411 HydrophobicContact CE2-CG2 4.17Å; F407-V411 HydrophobicContact CZ-CG2 4.03Å; F407-V411 WeakPolarHBondContact O-CG2 3.25Å; F407-V411 PolarHBondContact O-N 3.16Å; L408-V411 HydrophobicContact CD2-CG2 4.48Å; L408-V411 PolarHBondContact O-N 3.11Å; V411-R413 PolarHBondContact O-N 2.92Å; V411-R414 PolarHBondContact O-N 2.95Å; V411-W415 HydrophobicContact CG1-CE3 4.03Å; V411-W415 PolarHBondContact O-N 3.3Å; V411-R421 HydrophobicContact CG1-CG 3.96Å; V411-I422 HydrophobicContact CG1-CG1 4.03Å; V411-M425 HydrophobicContact CG1-SD 3.85Å; V411-M425 HydrophobicContact CG2-CE 3.66Å; V411-M425 HydrophobicContact CG2-SD 3.92Å
412L92.1Very high92.6Very high71 Ų7171.2 Ų71.237%0.37235%0.348SS..Hα-helixtrans-61.2-42.3175.9179.166.9000111.7L408 R414 W415 P416 M419 I422L408-L412 WeakPolarHBondContact O-CB 3.25Å; L408-L412 PolarHBondContact O-N 2.76Å; L412-R414 VanDerWaalsContact C-N 3.3Å; L412-R414 PolarHBondContact O-N 3.18Å; L412-W415 CarbonylContact O-C 3.48Å; L412-W415 PolarHBondContact O-N 3.36Å; L412-P416 WeakPolarHBondContact O-CA 3.43Å; L412-P416 WeakPolarHBondContact O-CB 3.43Å; L412-P416 WeakPolarHBondContact O-CD 3.46Å; L412-P416 VanDerWaalsContact O-N 3.07Å; L412-M419 HydrophobicContact CD1-SD 4.12Å; L412-I422 HydrophobicContact CB-CD1 3.93Å; L412-I422 HydrophobicContact CD1-CD1 3.65Å; L412-I422 HydrophobicContact CG-CD1 4.33Å
413R92.7Very high92.2Very high169 Ų16975.2 Ų75.264%0.63836%0.36SS*.Hα-helixtrans-65.2-31177.5-166.4-173.1-47.1115.214.4113.1D409 E410 V411D409-R413 VanDerWaalsContact O-CB 3.25Å; D409-R413 WeakPolarHBondContact O-CB 3.37Å; D409-R413 PolarHBondContact O-N 3.49Å; D409-R413 VanDerWaalsContact O-N 3.14Å; D409-R413 PolarHBondContact O-NH2 3.03Å; E410-R413 PolarHBondContact O-N 3.48Å; V411-R413 PolarHBondContact O-N 2.92Å
414R91Very high91.7Very high151 Ų15178.6 Ų78.657%0.5737%0.372SS*.Hα-helixtrans-85.7-32.3177.7-70.2175.2-179.1-156.44.4113.1E410 V411 L412E410-R414 HydrophobicContact CG-CG 4.36Å; E410-R414 WeakPolarHBondContact O-CB 3.38Å; E410-R414 WeakPolarHBondContact O-CG 3.17Å; E410-R414 PolarHBondContact O-N 3.46Å; E410-R414 IonicContact OE1-CZ 3.2Å; E410-R414 IonicContact OE1-NE 2.81Å; E410-R414 PolarHBondContact OE1-NE 3.21Å; E410-R414 IonicContact OE1-NH2 2.75Å; E410-R414 PolarHBondContact OE1-NH2 2.94Å; E410-R414 IonicContact OE2-NH2 3.06Å; V411-R414 PolarHBondContact O-N 2.95Å; L412-R414 VanDerWaalsContact C-N 3.3Å; L412-R414 PolarHBondContact O-N 3.18Å
415W89.8Confident91.4Very high102 Ų10278.2 Ų78.239%0.38637%0.37SS..  trans-13863.4-175.3-60-74.5000112.7V411 L412 A417 D418V411-W415 HydrophobicContact CG1-CE3 4.03Å; V411-W415 PolarHBondContact O-N 3.3Å; L412-W415 CarbonylContact O-C 3.48Å; L412-W415 PolarHBondContact O-N 3.36Å; W415-A417 PolarHBondContact O-N 3.49Å; W415-D418 HydrophobicContact CB-CB 4.31Å; W415-D418 PolarHBondContact O-N 3.33Å; W415-D418 VanDerWaalsContact O-N 3.11Å
416P89Confident91.2Very high96 Ų9673.2 Ų73.262%0.62335%0.348SS*.THydrogen-bonded Turntrans-65.4-8.6-169.325.2-35.7000115.9L412L412-P416 WeakPolarHBondContact O-CA 3.43Å; L412-P416 WeakPolarHBondContact O-CB 3.43Å; L412-P416 WeakPolarHBondContact O-CD 3.46Å; L412-P416 VanDerWaalsContact O-N 3.07Å
417A87.9Confident91.2Very high99 Ų9969.9 Ų69.982%0.81833%0.333SS*.THydrogen-bonded Turntrans-105-12.4178.100000114.3W415 M419W415-A417 PolarHBondContact O-N 3.49Å; A417-M419 PolarHBondContact O-N 3.47Å
418D88.3Confident91.3Very high46 Ų4668.5 Ų68.525%0.24633%0.328CS..  trans-98.467.7-177.6-168.8-11.6000109.8W415 D420 R421 R424W415-D418 HydrophobicContact CB-CB 4.31Å; W415-D418 PolarHBondContact O-N 3.33Å; W415-D418 VanDerWaalsContact O-N 3.11Å; D418-D420 PolarHBondContact O-N 2.85Å; D418-R421 HydrophobicContact CB-CB 3.93Å; D418-R421 VanDerWaalsContact O-CB 3.23Å; D418-R421 WeakPolarHBondContact O-CB 3.24Å; D418-R421 PolarHBondContact O-N 3.25Å; D418-R421 WeakPolarHBondContact OD1-CB 3.4Å; D418-R421 PolarHBondContact OD1-N 3.4Å; D418-R421 WeakPolarHBondContact OD2-CB 3.32Å; D418-R421 IonicContact OD2-CZ 3.8Å; D418-R421 IonicContact OD2-NE 3.35Å; D418-R421 PolarHBondContact OD2-NE 2.88Å; D418-R421 IonicContact OD2-NH2 3.85Å; D418-R421 PolarHBondContact OD2-NH2 3.39Å; D418-R424 IonicContact OD1-CZ 3.2Å; D418-R424 IonicContact OD1-NH1 2.66Å; D418-R424 PolarHBondContact OD1-NH1 3.07Å; D418-R424 IonicContact OD1-NH2 2.69Å; D418-R424 IonicContact OD2-NH2 3.49Å; D418-R424 PolarHBondContact OD2-NH2 3.19Å
419M88.2Confident91.2Very high123 Ų12369.2 Ų69.261%0.60633%0.331SS*.Hα-helixtrans-60.3-28.4-178.3-69.3-59.5-61.500112.9L412 A417 R421 I422L412-M419 HydrophobicContact CD1-SD 4.12Å; A417-M419 PolarHBondContact O-N 3.47Å; M419-R421 VanDerWaalsContact C-N 3.35Å; M419-I422 HydrophobicContact CE-CD1 3.99Å; M419-I422 WeakPolarHBondContact O-CB 3.26Å; M419-I422 PolarHBondContact O-N 3.25Å; M419-I422 HydrophobicContact SD-CD1 3.77Å
420D90.1Very high91.2Very high67 Ų6771.3 Ų71.336%0.35834%0.338SS..Hα-helixtrans-71.4-29.4174.6-169.866.6000111.9D418 I422 R423 R424D418-D420 PolarHBondContact O-N 2.85Å; D420-I422 VanDerWaalsContact C-N 3.28Å; D420-I422 PolarHBondContact O-N 3.5Å; D420-R423 WeakPolarHBondContact O-CB 3.49Å; D420-R423 PolarHBondContact O-N 3.05Å; D420-R423 VanDerWaalsContact O-N 3.15Å; D420-R423 IonicContact OD1-CZ 3.7Å; D420-R423 IonicContact OD1-NE 3.65Å; D420-R423 PolarHBondContact OD1-NE 3.17Å; D420-R423 IonicContact OD1-NH2 3.94Å; D420-R423 PolarHBondContact OD1-NH2 2.81Å; D420-R423 IonicContact OD2-NH2 2.91Å; D420-R423 PolarHBondContact OD2-NH2 2.99Å; D420-R424 VanDerWaalsContact C-NH1 3.33Å; D420-R424 VanDerWaalsContact O-CG 3.31Å; D420-R424 WeakPolarHBondContact O-CG 3.36Å; D420-R424 PolarHBondContact O-N 3.36Å; D420-R424 VanDerWaalsContact OD2-CD 3.28Å; D420-R424 WeakPolarHBondContact OD2-CD 3.23Å; D420-R424 WeakPolarHBondContact OD2-CG 3.39Å; D420-R424 IonicContact OD2-CZ 3.93Å; D420-R424 IonicContact OD2-NE 3.97Å; D420-R424 IonicContact OD2-NH1 3.38Å; D420-R424 PolarHBondContact OD2-NH1 2.97Å
421R88.2Confident91Very high49 Ų4970.7 Ų70.719%0.18535%0.345CS..Hα-helixtrans-58.7-38.7171.4-179.5177.5-56.8-81.3-15.8112.6V411 D418 M419 R423 R424 M425 N470V411-R421 HydrophobicContact CG1-CG 3.96Å; D418-R421 HydrophobicContact CB-CB 3.93Å; D418-R421 VanDerWaalsContact O-CB 3.23Å; D418-R421 WeakPolarHBondContact O-CB 3.24Å; D418-R421 PolarHBondContact O-N 3.25Å; D418-R421 WeakPolarHBondContact OD1-CB 3.4Å; D418-R421 PolarHBondContact OD1-N 3.4Å; D418-R421 WeakPolarHBondContact OD2-CB 3.32Å; D418-R421 IonicContact OD2-CZ 3.8Å; D418-R421 IonicContact OD2-NE 3.35Å; D418-R421 PolarHBondContact OD2-NE 2.88Å; D418-R421 IonicContact OD2-NH2 3.85Å; D418-R421 PolarHBondContact OD2-NH2 3.39Å; M419-R421 VanDerWaalsContact C-N 3.35Å; R421-R423 VanDerWaalsContact C-N 3.32Å; R421-R423 PolarHBondContact O-N 3.4Å; R421-R424 PolarHBondContact O-N 2.84Å; R421-M425 HydrophobicContact CG-CG 3.98Å; R421-M425 HydrophobicContact CG-SD 3.29Å; R421-M425 WeakPolarHBondContact CG-SD 3.39Å; R421-M425 VanDerWaalsContact O-CB 3.27Å; R421-M425 WeakPolarHBondContact O-CB 3.49Å; R421-M425 VanDerWaalsContact O-CG 3.28Å; R421-M425 WeakPolarHBondContact O-CG 3.48Å; R421-M425 PolarHBondContact O-N 3.04Å; R421-N470 PolarHBondContact NH1-OD1 2.92Å
422I88.6Confident90.7Very high28 Ų2874.3 Ų74.314%0.14436%0.364CS..Hα-helixtrans-58.7-48.3176-60.3175.6000109.3L408 V411 L412 M419 D420 M425 S426L408-I422 HydrophobicContact CB-CG2 4.24Å; L408-I422 HydrophobicContact CD1-CG2 3.99Å; L408-I422 HydrophobicContact CD2-CG2 3.93Å; L408-I422 WeakPolarHBondContact CD2-O 3.24Å; L408-I422 HydrophobicContact CG-CG2 4.26Å; V411-I422 HydrophobicContact CG1-CG1 4.03Å; L412-I422 HydrophobicContact CB-CD1 3.93Å; L412-I422 HydrophobicContact CD1-CD1 3.65Å; L412-I422 HydrophobicContact CG-CD1 4.33Å; M419-I422 HydrophobicContact CE-CD1 3.99Å; M419-I422 WeakPolarHBondContact O-CB 3.26Å; M419-I422 PolarHBondContact O-N 3.25Å; M419-I422 HydrophobicContact SD-CD1 3.77Å; D420-I422 VanDerWaalsContact C-N 3.28Å; D420-I422 PolarHBondContact O-N 3.5Å; I422-M425 PolarHBondContact O-N 3.26Å; I422-S426 PolarHBondContact O-N 3.09Å
423R90.4Very high89.8Confident163 Ų16378.6 Ų78.662%0.61538%0.383SS*.Hα-helixtrans-61.9-43.3174.4-171.8-169.964.480.45.1112.7D420 R421 M425D420-R423 WeakPolarHBondContact O-CB 3.49Å; D420-R423 PolarHBondContact O-N 3.05Å; D420-R423 VanDerWaalsContact O-N 3.15Å; D420-R423 IonicContact OD1-CZ 3.7Å; D420-R423 IonicContact OD1-NE 3.65Å; D420-R423 PolarHBondContact OD1-NE 3.17Å; D420-R423 IonicContact OD1-NH2 3.94Å; D420-R423 PolarHBondContact OD1-NH2 2.81Å; D420-R423 IonicContact OD2-NH2 2.91Å; D420-R423 PolarHBondContact OD2-NH2 2.99Å; R421-R423 VanDerWaalsContact C-N 3.32Å; R421-R423 PolarHBondContact O-N 3.4Å; R423-M425 VanDerWaalsContact C-N 3.34Å; R423-M425 PolarHBondContact O-N 3.38Å
424R88.8Confident88.6Confident74 Ų7477.3 Ų77.328%0.27938%0.379SS..Hα-helixtrans-71.3-22.1-180-65.4-174.4-44.4-95.21.9114.1D418 D420 R421 H443 N470D418-R424 IonicContact OD1-CZ 3.2Å; D418-R424 IonicContact OD1-NH1 2.66Å; D418-R424 PolarHBondContact OD1-NH1 3.07Å; D418-R424 IonicContact OD1-NH2 2.69Å; D418-R424 IonicContact OD2-NH2 3.49Å; D418-R424 PolarHBondContact OD2-NH2 3.19Å; D420-R424 VanDerWaalsContact C-NH1 3.33Å; D420-R424 VanDerWaalsContact O-CG 3.31Å; D420-R424 WeakPolarHBondContact O-CG 3.36Å; D420-R424 PolarHBondContact O-N 3.36Å; D420-R424 VanDerWaalsContact OD2-CD 3.28Å; D420-R424 WeakPolarHBondContact OD2-CD 3.23Å; D420-R424 WeakPolarHBondContact OD2-CG 3.39Å; D420-R424 IonicContact OD2-CZ 3.93Å; D420-R424 IonicContact OD2-NE 3.97Å; D420-R424 IonicContact OD2-NH1 3.38Å; D420-R424 PolarHBondContact OD2-NH1 2.97Å; R421-R424 PolarHBondContact O-N 2.84Å; R424-H443 PolarHBondContact O-CE1 3.39Å; R424-N470 PolarHBondContact NE-ND2 3.4Å; R424-N470 PolarHBondContact NE-OD1 3.15Å; R424-N470 VanDerWaalsContact NE-OD1 3.1Å; R424-N470 PolarHBondContact NH2-OD1 2.86Å
425M90.8Very high88.2Confident7 Ų773.1 Ų73.13%0.03438%0.383CS..Hα-helixtrans-100.5-17.5-178.6-70.3-179.572.100113.6F407 L408 V411 R421 I422 R423 L427 N470F407-M425 HydrophobicContact CE1-CB 4.05Å; F407-M425 HydrophobicContact CE1-CE 4.25Å; F407-M425 WeakPolarHBondContact CE1-O 3.47Å; F407-M425 HydrophobicContact CE2-CE 4.32Å; F407-M425 HydrophobicContact CZ-CB 4.5Å; F407-M425 HydrophobicContact CZ-CE 3.56Å; L408-M425 HydrophobicContact CD2-CB 4.5Å; V411-M425 HydrophobicContact CG1-SD 3.85Å; V411-M425 HydrophobicContact CG2-CE 3.66Å; V411-M425 HydrophobicContact CG2-SD 3.92Å; R421-M425 HydrophobicContact CG-CG 3.98Å; R421-M425 HydrophobicContact CG-SD 3.29Å; R421-M425 WeakPolarHBondContact CG-SD 3.39Å; R421-M425 VanDerWaalsContact O-CB 3.27Å; R421-M425 WeakPolarHBondContact O-CB 3.49Å; R421-M425 VanDerWaalsContact O-CG 3.28Å; R421-M425 WeakPolarHBondContact O-CG 3.48Å; R421-M425 PolarHBondContact O-N 3.04Å; I422-M425 PolarHBondContact O-N 3.26Å; R423-M425 VanDerWaalsContact C-N 3.34Å; R423-M425 PolarHBondContact O-N 3.38Å; M425-L427 PolarHBondContact O-N 2.75Å; M425-N470 WeakPolarHBondContact CE-O 3.33Å; M425-N470 HydrophobicContact CG-CB 3.38Å; M425-N470 HydrophobicContact SD-CB 3.68Å
426S94.9Very high88.2Confident12 Ų1270.8 Ų70.88%0.08438%0.376CS..  trans-50136.6179.2-175.20000112.4N404 I422 V428 H443N404-S426 PolarHBondContact ND2-OG 2.85Å; N404-S426 PolarHBondContact OD1-OG 2.86Å; I422-S426 PolarHBondContact O-N 3.09Å; S426-V428 VanDerWaalsContact CB-O 3.29Å; S426-V428 WeakPolarHBondContact CB-O 3.25Å; S426-V428 PolarHBondContact O-N 2.83Å; S426-V428 PolarHBondContact OG-N 3.26Å; S426-V428 PolarHBondContact OG-O 2.87Å; S426-H443 PolarHBondContact O-ND1 3.14Å
427L96.3Very high88.5Confident0 Ų069.6 Ų69.60%036%0.361CS..SBendtrans-68-24.1166.1-75.463.1000110.7I403 N404 F407 M425 I439 N440 H443 L444 V447I403-L427 HydrophobicContact CG2-CD2 3.82Å; N404-L427 HydrophobicContact CB-CB 4.18Å; N404-L427 HydrophobicContact CB-CD2 4.49Å; N404-L427 WeakPolarHBondContact OD1-CB 3.45Å; N404-L427 PolarHBondContact OD1-N 3.08Å; F407-L427 HydrophobicContact CD1-CD1 3.86Å; F407-L427 HydrophobicContact CE1-CD1 4.25Å; M425-L427 PolarHBondContact O-N 2.75Å; L427-I439 CarbonylContact O-C 3.55Å; L427-I439 WeakPolarHBondContact O-CA 3.2Å; L427-N440 PolarHBondContact O-N 3.19Å; L427-H443 HydrophobicContact CD1-CB 4.31Å; L427-H443 HydrophobicContact CG-CB 4.16Å; L427-L444 HydrophobicContact CD2-CB 4.01Å; L427-L444 HydrophobicContact CD2-CD1 3.74Å; L427-L444 HydrophobicContact CD2-CG 4.49Å; L427-L444 HydrophobicContact CG-CB 4.39Å; L427-V447 HydrophobicContact CD1-CB 4.37Å; L427-V447 HydrophobicContact CD1-CG2 3.97Å
428V96.9Very high88.9Confident8 Ų866.7 Ų66.75%0.04833%0.329CS..EExtended strand (participates in β ladder)trans-97.6114.2177.8-1730000108.9Y401 N404 S426 K437 I439Y401-V428 HydrophobicContact CD1-CG2 3.71Å; Y401-V428 HydrophobicContact CE1-CG1 4.34Å; Y401-V428 HydrophobicContact CE1-CG2 3.63Å; N404-V428 HydrophobicContact CB-CG2 4.4Å; S426-V428 VanDerWaalsContact CB-O 3.29Å; S426-V428 WeakPolarHBondContact CB-O 3.25Å; S426-V428 PolarHBondContact O-N 2.83Å; S426-V428 PolarHBondContact OG-N 3.26Å; S426-V428 PolarHBondContact OG-O 2.87Å; V428-K437 VanDerWaalsContact CG1-CE 3.47Å; V428-I439 HydrophobicContact CB-CD1 4.39Å; V428-I439 HydrophobicContact CG1-CD1 4.43Å; V428-I439 HydrophobicContact CG2-CD1 3.82Å
429E94.3Very high89.3Confident41 Ų4164.5 Ų64.519%0.19232%0.317CS..EExtended strand (participates in β ladder)trans-83.8122.9168.6-61.8-176.9174.700108.4R383 K437 R438 N440R383-E429 WeakPolarHBondContact CD-OE2 3.26Å; R383-E429 IonicContact CZ-OE1 2.95Å; R383-E429 IonicContact CZ-OE2 3.17Å; R383-E429 IonicContact NE-OE1 3.28Å; R383-E429 IonicContact NE-OE2 2.78Å; R383-E429 IonicContact NH1-OE1 2.64Å; R383-E429 PolarHBondContact NH1-OE1 3.43Å; R383-E429 IonicContact NH1-OE2 3.67Å; R383-E429 PolarHBondContact NH1-OE2 2.97Å; E429-K437 WeakPolarHBondContact O-CA 3.24Å; E429-R438 HydrophobicContact CB-CB 4.38Å; E429-R438 PolarHBondContact N-O 3.36Å; E429-R438 PolarHBondContact O-N 3.02Å; E429-N440 HydrophobicContact CG-CB 4.23Å; E429-N440 PolarHBondContact OE1-ND2 3.48Å
430E94.1Very high89.6Confident116 Ų11658.8 Ų58.854%0.54229%0.289SS..PPolyproline II helixtrans-68.7156.5172.6-64-55.4141.200111.1D432 K437E430-D432 PolarHBondContact O-N 3.43Å; E430-K437 WeakPolarHBondContact OE1-CE 3.39Å; E430-K437 IonicContact OE1-NZ 3.95Å; E430-K437 PolarHBondContact OE1-NZ 3.48Å; E430-K437 WeakPolarHBondContact OE2-CD 3.24Å; E430-K437 WeakPolarHBondContact OE2-CE 3.36Å; E430-K437 IonicContact OE2-NZ 3.42Å; E430-K437 PolarHBondContact OE2-NZ 3Å
431A88.3Confident89.9Confident59 Ų5955.6 Ų55.649%0.48827%0.272SS..PPolyproline II helixtrans-61.6126.1-17700000111.6E436 K437A431-E436 WeakPolarHBondContact CA-O 3.31Å; A431-K437 HydrophobicContact CB-CG 4.38Å
432D83.1Confident90.2Very high79 Ų7953.3 Ų53.342%0.42226%0.264SS..  trans-110-153.5179.171.5-9.9000110.7E430 Y434 G435E430-D432 PolarHBondContact O-N 3.43Å; D432-Y434 PolarHBondContact O-N 3.48Å; D432-Y434 WeakPolarHBondContact OD1-CB 3.17Å; D432-Y434 WeakPolarHBondContact OD1-CD2 3.45Å; D432-Y434 PolarHBondContact OD1-N 2.89Å; D432-Y434 VanDerWaalsContact OD2-CD2 3.24Å; D432-Y434 WeakPolarHBondContact OD2-CD2 3.27Å; D432-G435 PolarHBondContact O-N 3.46Å
433Q74.3Confident90.4Very high162 Ų16253 Ų5376%0.75726%0.262SS*.THydrogen-bonded Turntrans-57-14.4174.667.8-174.26.600114.9
434Y67.7Low90.8Very high141 Ų14145.2 Ų45.255%0.55323%0.232SC*.THydrogen-bonded Turntrans-93.4-0.6174.8-51.7-68000113.7D432 E436 R438D432-Y434 PolarHBondContact O-N 3.48Å; D432-Y434 WeakPolarHBondContact OD1-CB 3.17Å; D432-Y434 WeakPolarHBondContact OD1-CD2 3.45Å; D432-Y434 PolarHBondContact OD1-N 2.89Å; D432-Y434 VanDerWaalsContact OD2-CD2 3.24Å; D432-Y434 WeakPolarHBondContact OD2-CD2 3.27Å; Y434-E436 PolarHBondContact O-N 3.45Å; Y434-R438 VanDerWaalsContact CB-NH2 3.27Å; Y434-R438 VanDerWaalsContact CD2-NH1 3.26Å
435G81.7Confident91.2Very high64 Ų6441.7 Ų41.766%0.6622%0.219SC*.  trans78.23.2164.500000117.5D432D432-G435 PolarHBondContact O-N 3.46Å
436E90.4Very high91.3Very high52 Ų5242.1 Ų42.124%0.24322%0.221CC..SBendtrans-134.3148.3-17867.6-177.7173.400112.5P385 A431 Y434 R438P385-E436 WeakPolarHBondContact CB-OE2 3.4Å; P385-E436 WeakPolarHBondContact CG-OE2 3.35Å; A431-E436 WeakPolarHBondContact CA-O 3.31Å; Y434-E436 PolarHBondContact O-N 3.45Å; E436-R438 HydrophobicContact CG-CG 4.19Å; E436-R438 IonicContact OE1-CZ 3.94Å; E436-R438 VanDerWaalsContact OE1-CZ 3.25Å; E436-R438 IonicContact OE1-NE 3.82Å; E436-R438 PolarHBondContact OE1-NE 3.11Å; E436-R438 IonicContact OE1-NH2 3.57Å; E436-R438 PolarHBondContact OE1-NH2 2.81Å
437K95.6Very high91.4Very high71 Ų7142.6 Ų42.631%0.30922%0.224SC..  trans-75.8144.1170-64-172.761.9143.20110.6V386 V428 E429 E430 A431V386-K437 HydrophobicContact CB-CB 4.04Å; V386-K437 WeakPolarHBondContact CB-O 3.41Å; V386-K437 HydrophobicContact CG2-CB 3.76Å; V386-K437 PolarHBondContact N-O 3Å; V428-K437 VanDerWaalsContact CG1-CE 3.47Å; E429-K437 WeakPolarHBondContact O-CA 3.24Å; E430-K437 WeakPolarHBondContact OE1-CE 3.39Å; E430-K437 IonicContact OE1-NZ 3.95Å; E430-K437 PolarHBondContact OE1-NZ 3.48Å; E430-K437 WeakPolarHBondContact OE2-CD 3.24Å; E430-K437 WeakPolarHBondContact OE2-CE 3.36Å; E430-K437 IonicContact OE2-NZ 3.42Å; E430-K437 PolarHBondContact OE2-NZ 3Å; A431-K437 HydrophobicContact CB-CG 4.38Å
438R95.3Very high91.4Very high38 Ų3842.6 Ų42.614%0.14322%0.224CC..EExtended strand (participates in β ladder)trans-131.8155.8-178.5-61.6-178.3178.5135.3-0.8112.2R383 W384 E429 Y434 E436R383-R438 HydrophobicContact CB-CB 4.29Å; W384-R438 CarbonylContact O-C 3.51Å; W384-R438 VanDerWaalsContact O-CA 3.28Å; W384-R438 WeakPolarHBondContact O-CA 3.25Å; E429-R438 HydrophobicContact CB-CB 4.38Å; E429-R438 PolarHBondContact N-O 3.36Å; E429-R438 PolarHBondContact O-N 3.02Å; Y434-R438 VanDerWaalsContact CB-NH2 3.27Å; Y434-R438 VanDerWaalsContact CD2-NH1 3.26Å; E436-R438 HydrophobicContact CG-CG 4.19Å; E436-R438 IonicContact OE1-CZ 3.94Å; E436-R438 VanDerWaalsContact OE1-CZ 3.25Å; E436-R438 IonicContact OE1-NE 3.82Å; E436-R438 PolarHBondContact OE1-NE 3.11Å; E436-R438 IonicContact OE1-NH2 3.57Å; E436-R438 PolarHBondContact OE1-NH2 2.81Å
439I96.9Very high91.4Very high0 Ų042.7 Ų42.70%022%0.224CC..EExtended strand (participates in β ladder)trans-100.5121.7168.4-55.7-54.8000108.7R383 W384 V386 L389 L397 I400 Y401 L427 V428 M441R383-I439 CarbonylContact C-O 3.17Å; R383-I439 VanDerWaalsContact CA-O 3.28Å; R383-I439 WeakPolarHBondContact CA-O 3.38Å; W384-I439 PolarHBondContact N-O 3.44Å; W384-I439 VanDerWaalsContact N-O 3.08Å; W384-I439 PolarHBondContact O-N 3.39Å; V386-I439 HydrophobicContact CG2-CD1 3.82Å; V386-I439 HydrophobicContact CG2-CG1 4.09Å; L389-I439 HydrophobicContact CD1-CB 3.78Å; L389-I439 HydrophobicContact CD1-CG1 3.51Å; L397-I439 HydrophobicContact CD1-CD1 4.22Å; L397-I439 HydrophobicContact CD1-CG1 4.28Å; I400-I439 HydrophobicContact CD1-CG2 4.5Å; I400-I439 HydrophobicContact CG2-CD1 3.98Å; I400-I439 HydrophobicContact CG2-CG1 4.31Å; I400-I439 HydrophobicContact CG2-CG2 3.85Å; Y401-I439 HydrophobicContact CE1-CD1 4.38Å; L427-I439 CarbonylContact O-C 3.55Å; L427-I439 WeakPolarHBondContact O-CA 3.2Å; V428-I439 HydrophobicContact CB-CD1 4.39Å; V428-I439 HydrophobicContact CG1-CD1 4.43Å; V428-I439 HydrophobicContact CG2-CD1 3.82Å; I439-M441 HydrophobicContact CB-SD 4.07Å; I439-M441 HydrophobicContact CG2-SD 3.64Å; I439-M441 PolarHBondContact O-N 2.89Å
440N95.1Very high91.6Very high4 Ų444.7 Ų44.72%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-80.4105.8175.1-174.6-52.1000109.6L427 E429 A442 H443 L444L427-N440 PolarHBondContact O-N 3.19Å; E429-N440 HydrophobicContact CG-CB 4.23Å; E429-N440 PolarHBondContact OE1-ND2 3.48Å; N440-A442 VanDerWaalsContact C-N 3.27Å; N440-A442 PolarHBondContact O-N 2.6Å; N440-A442 WeakPolarHBondContact OD1-CB 3.25Å; N440-A442 PolarHBondContact OD1-N 3.17Å; N440-H443 HydrophobicContact CB-CB 4.12Å; N440-H443 PolarHBondContact O-N 3.27Å; N440-H443 PolarHBondContact OD1-CD2 3.22Å; N440-H443 PolarHBondContact OD1-N 3.06Å; N440-L444 PolarHBondContact O-N 2.93Å; N440-L444 VanDerWaalsContact O-N 3.16Å
441M96.8Very high91.6Very high0 Ų040.1 Ų40.10%022%0.216CC..Hα-helixtrans-72.1-23.3-172.8-53.9-47.6-71.900112.5T337 S340 L341 E382 I439 L444 C445T337-M441 HydrophobicContact CG2-CB 4.34Å; S340-M441 WeakPolarHBondContact OG-CE 3.41Å; L341-M441 HydrophobicContact CD2-CE 3.89Å; L341-M441 HydrophobicContact CG-CE 4.29Å; E382-M441 HydrophobicContact CB-CB 4.2Å; E382-M441 HydrophobicContact CB-CG 4.02Å; E382-M441 WeakPolarHBondContact O-CB 3.44Å; E382-M441 WeakPolarHBondContact O-CG 3.49Å; E382-M441 PolarHBondContact O-N 2.83Å; I439-M441 HydrophobicContact CB-SD 4.07Å; I439-M441 HydrophobicContact CG2-SD 3.64Å; I439-M441 PolarHBondContact O-N 2.89Å; M441-L444 HydrophobicContact CE-CD2 3.75Å; M441-C445 PolarHBondContact O-N 3.46Å; M441-C445 PolarHBondContact O-SG 2.89Å
442A93Very high91.8Very high0 Ų039.1 Ų39.10%020%0.202CC..Hα-helixtrans-71.1-41.7173.600000111.6T337 L381 N440 L444 C445 I446 F468T337-A442 HydrophobicContact CG2-CB 3.89Å; L381-A442 HydrophobicContact CD2-CB 4.28Å; N440-A442 VanDerWaalsContact C-N 3.27Å; N440-A442 PolarHBondContact O-N 2.6Å; N440-A442 WeakPolarHBondContact OD1-CB 3.25Å; N440-A442 PolarHBondContact OD1-N 3.17Å; A442-L444 VanDerWaalsContact C-N 3.34Å; A442-L444 PolarHBondContact O-N 2.83Å; A442-C445 PolarHBondContact O-N 3.44Å; A442-I446 WeakPolarHBondContact O-CD1 3.44Å; A442-I446 VanDerWaalsContact O-CG1 3.23Å; A442-I446 WeakPolarHBondContact O-CG1 3.09Å; A442-I446 PolarHBondContact O-N 2.74Å; A442-F468 HydrophobicContact CB-CE1 3.74Å; A442-F468 HydrophobicContact CB-CZ 3.95Å
443H94.2Very high92.1Very high22 Ų2236.8 Ų36.810%0.10219%0.189CC..Hα-helixtrans-61.2-42.8172.9-68.3-175.1000111.1R424 S426 L427 N440 I446 V447R424-H443 PolarHBondContact O-CE1 3.39Å; S426-H443 PolarHBondContact O-ND1 3.14Å; L427-H443 HydrophobicContact CD1-CB 4.31Å; L427-H443 HydrophobicContact CG-CB 4.16Å; N440-H443 HydrophobicContact CB-CB 4.12Å; N440-H443 PolarHBondContact O-N 3.27Å; N440-H443 PolarHBondContact OD1-CD2 3.22Å; N440-H443 PolarHBondContact OD1-N 3.06Å; H443-I446 PolarHBondContact O-N 2.99Å; H443-V447 WeakPolarHBondContact O-CB 3.18Å; H443-V447 WeakPolarHBondContact O-CG2 3.35Å; H443-V447 PolarHBondContact O-N 3.12Å
444L97.5Very high92.8Very high0 Ų029.5 Ų29.50%016%0.157CC..Hα-helixtrans-58.9-47.9173.6175.664.4000111.8I343 P344 I400 I403 L427 N440 M441 A442 I446 V447 G448I343-L444 HydrophobicContact CG2-CD1 4.02Å; P344-L444 HydrophobicContact CG-CD2 4.31Å; I400-L444 HydrophobicContact CD1-CD2 4.28Å; I400-L444 HydrophobicContact CG1-CD1 4.45Å; I400-L444 HydrophobicContact CG1-CD2 4.22Å; I403-L444 HydrophobicContact CD1-CD1 4.22Å; L427-L444 HydrophobicContact CD2-CB 4.01Å; L427-L444 HydrophobicContact CD2-CD1 3.74Å; L427-L444 HydrophobicContact CD2-CG 4.49Å; L427-L444 HydrophobicContact CG-CB 4.39Å; N440-L444 PolarHBondContact O-N 2.93Å; N440-L444 VanDerWaalsContact O-N 3.16Å; M441-L444 HydrophobicContact CE-CD2 3.75Å; A442-L444 VanDerWaalsContact C-N 3.34Å; A442-L444 PolarHBondContact O-N 2.83Å; L444-I446 VanDerWaalsContact C-N 3.33Å; L444-I446 PolarHBondContact O-N 2.93Å; L444-V447 PolarHBondContact O-N 3.28Å; L444-G448 PolarHBondContact O-N 3.16Å
445C97.2Very high93.7Very high0 Ų024.4 Ų24.40%014%0.141CC..Hα-helixtrans-57.9-42.4176.6-81.40000113S340 Y371 M441 A442 S449S340-C445 WeakPolarHBondContact CB-SG 3.45Å; Y371-C445 HydrophobicContact CD1-CB 3.49Å; Y371-C445 VanDerWaalsContact CD1-CB 3.49Å; Y371-C445 HydrophobicContact CD2-CB 3.84Å; Y371-C445 HydrophobicContact CE1-CB 3.79Å; Y371-C445 HydrophobicContact CE2-CB 4.12Å; Y371-C445 HydrophobicContact CG-CB 3.53Å; M441-C445 PolarHBondContact O-N 3.46Å; M441-C445 PolarHBondContact O-SG 2.89Å; A442-C445 PolarHBondContact O-N 3.44Å; C445-S449 WeakPolarHBondContact O-CB 3.32Å; C445-S449 PolarHBondContact O-N 3.23Å; C445-S449 PolarHBondContact O-OG 3.33Å
446I94.2Very high93.5Very high15 Ų1521.7 Ų21.78%0.07711%0.113CC..Hα-helixtrans-68.5-44.6-178.9-65.5159000111.1Y371 A442 H443 L444 G448 I452 F468 C471 F472Y371-I446 HydrophobicContact CD1-CG1 4.11Å; Y371-I446 HydrophobicContact CE1-CG1 4Å; A442-I446 WeakPolarHBondContact O-CD1 3.44Å; A442-I446 VanDerWaalsContact O-CG1 3.23Å; A442-I446 WeakPolarHBondContact O-CG1 3.09Å; A442-I446 PolarHBondContact O-N 2.74Å; H443-I446 PolarHBondContact O-N 2.99Å; L444-I446 VanDerWaalsContact C-N 3.33Å; L444-I446 PolarHBondContact O-N 2.93Å; I446-G448 VanDerWaalsContact C-N 3.35Å; I446-I452 HydrophobicContact CG1-CG1 4.3Å; I446-I452 HydrophobicContact CG2-CD1 4.2Å; I446-F468 HydrophobicContact CD1-CB 4.26Å; I446-F468 HydrophobicContact CD1-CD1 3.4Å; I446-F468 HydrophobicContact CD1-CD2 3.79Å; I446-F468 HydrophobicContact CD1-CE1 3.59Å; I446-F468 HydrophobicContact CD1-CE2 3.95Å; I446-F468 HydrophobicContact CD1-CG 3.54Å; I446-F468 HydrophobicContact CD1-CZ 3.88Å; I446-C471 HydrophobicContact CG2-CB 4.08Å; I446-F472 HydrophobicContact CB-CZ 4.49Å; I446-F472 HydrophobicContact CD1-CE2 3.86Å; I446-F472 HydrophobicContact CD1-CZ 4.34Å; I446-F472 HydrophobicContact CG1-CE2 4.01Å; I446-F472 HydrophobicContact CG1-CZ 3.97Å; I446-F472 HydrophobicContact CG2-CE2 3.99Å; I446-F472 HydrophobicContact CG2-CZ 3.75Å
447V95.9Very high93Very high23 Ų2321.6 Ų21.614%0.13912%0.12CC..Hα-helixtrans-71.7-31.2-178.8172.60000112W362 I403 F407 L427 H443 L444W362-V447 HydrophobicContact CH2-CG1 4.28Å; W362-V447 HydrophobicContact CZ2-CG1 3.94Å; W362-V447 VanDerWaalsContact CZ2-O 3.31Å; W362-V447 WeakPolarHBondContact CZ2-O 3.24Å; I403-V447 HydrophobicContact CG2-CG1 3.96Å; F407-V447 HydrophobicContact CB-CG1 4.04Å; F407-V447 HydrophobicContact CD1-CG1 4.46Å; F407-V447 HydrophobicContact CD1-CG2 3.81Å; F407-V447 HydrophobicContact CD2-CB 4.48Å; F407-V447 HydrophobicContact CD2-CG1 3.84Å; F407-V447 HydrophobicContact CD2-CG2 3.78Å; F407-V447 HydrophobicContact CE1-CG2 3.55Å; F407-V447 HydrophobicContact CE2-CG1 4.38Å; F407-V447 HydrophobicContact CE2-CG2 3.53Å; F407-V447 HydrophobicContact CG-CG1 3.87Å; F407-V447 HydrophobicContact CG-CG2 3.9Å; F407-V447 HydrophobicContact CZ-CG2 3.39Å; L427-V447 HydrophobicContact CD1-CB 4.37Å; L427-V447 HydrophobicContact CD1-CG2 3.97Å; H443-V447 WeakPolarHBondContact O-CB 3.18Å; H443-V447 WeakPolarHBondContact O-CG2 3.35Å; H443-V447 PolarHBondContact O-N 3.12Å; L444-V447 PolarHBondContact O-N 3.28Å
448G97.4Very high92Very high0 Ų019.9 Ų19.90%011%0.114CC..THydrogen-bonded Turntrans-91.37179.700000116.7V366 L444 I446V366-G448 WeakPolarHBondContact CA-O 3.23Å; L444-G448 PolarHBondContact O-N 3.16Å; I446-G448 VanDerWaalsContact C-N 3.35Å
449S97.2Very high91.1Very high9 Ų918.3 Ų18.36%0.06311%0.109CC..  trans-125.7142.5-177-58.50000112.6F369 C445F369-S449 VanDerWaalsContact O-CA 3.28Å; F369-S449 WeakPolarHBondContact O-CA 3.38Å; F369-S449 WeakPolarHBondContact O-CB 3.44Å; C445-S449 WeakPolarHBondContact O-CB 3.32Å; C445-S449 PolarHBondContact O-N 3.23Å; C445-S449 PolarHBondContact O-OG 3.33Å
450H96.8Very high90.3Very high84 Ų8420.7 Ų20.739%0.38913%0.126SC..SBendtrans-78.1-21.2175.267.6-81.9000113.5V366 K367 F369 I812V366-H450 HydrophobicContact CG1-CB 4.22Å; V366-H450 WeakPolarHBondContact O-CB 3.32Å; V366-H450 PolarHBondContact O-N 3.45Å; V366-H450 PolarHBondContact O-ND1 2.73Å; K367-H450 PolarHBondContact O-ND1 2.75Å; F369-H450 PolarHBondContact O-CE1 2.88Å; F369-H450 VanDerWaalsContact O-CE1 3.29Å; F369-H450 PolarHBondContact O-N 3.43Å; F369-H450 VanDerWaalsContact O-N 3.08Å; F369-H450 PolarHBondContact O-ND1 3.05Å; H450-I812 PolarHBondContact NE2-O 2.66Å
451A94.5Very high89.4Confident20 Ų2026.2 Ų26.217%0.16515%0.151CC..EExtended strand (participates in β ladder)trans-140.6138.9-179.300000110.4A370 Y371 I812A370-A451 VanDerWaalsContact CA-O 3.27Å; A370-A451 WeakPolarHBondContact CA-O 3.08Å; A370-A451 HydrophobicContact CB-CB 4.13Å; Y371-A451 PolarHBondContact N-O 3.43Å; A451-I812 HydrophobicContact CB-CG1 4.43Å; A451-I812 HydrophobicContact CB-CG2 3.9Å
452I92.3Very high88.2Confident38 Ų3827.6 Ų27.620%0.19516%0.158CC..EExtended strand (participates in β ladder)trans-135.7136.8176.8-56.689.7000108.5Y371 I446 F472Y371-I452 HydrophobicContact CD1-CB 4.34Å; Y371-I452 HydrophobicContact CD1-CG1 3.99Å; Y371-I452 HydrophobicContact CD1-CG2 3.48Å; Y371-I452 VanDerWaalsContact CD1-CG2 3.48Å; Y371-I452 HydrophobicContact CE1-CG2 4.01Å; Y371-I452 HydrophobicContact CG-CG2 4.27Å; Y371-I452 CarbonylContact O-C 3.51Å; Y371-I452 VanDerWaalsContact O-CA 3.23Å; Y371-I452 WeakPolarHBondContact O-CA 3.36Å; I446-I452 HydrophobicContact CG1-CG1 4.3Å; I446-I452 HydrophobicContact CG2-CD1 4.2Å; I452-F472 HydrophobicContact CB-CE1 3.69Å; I452-F472 HydrophobicContact CB-CZ 3.51Å; I452-F472 HydrophobicContact CD1-CE1 3.88Å; I452-F472 HydrophobicContact CD1-CZ 3.87Å; I452-F472 HydrophobicContact CG1-CE1 4.16Å; I452-F472 HydrophobicContact CG1-CZ 3.82Å; I452-F472 HydrophobicContact CG2-CE1 4.21Å; I452-F472 HydrophobicContact CG2-CE2 4.47Å; I452-F472 HydrophobicContact CG2-CZ 3.61Å
453N90.5Very high87.3Confident29 Ų2928 Ų2816%0.15516%0.16CC..EExtended strand (participates in β ladder)trans-138.2151.1-177.574.9-78.6000113.5Y371 T372 N373 Y808 I812Y371-N453 PolarHBondContact O-N 3.07Å; Y371-N453 PolarHBondContact O-OD1 3.3Å; T372-N453 WeakPolarHBondContact CA-O 3.37Å; T372-N453 WeakPolarHBondContact CG2-ND2 2.89Å; T372-N453 PolarHBondContact OG1-OD1 2.96Å; N373-N453 PolarHBondContact N-O 3.06Å; N453-Y808 PolarHBondContact ND2-OH 2.73Å; N453-I812 HydrophobicContact CB-CD1 4.4Å
454G88.9Confident85.7Confident9 Ų928.6 Ų28.69%0.09317%0.166CC..  trans-88.7-177.3163.800000112.6H459 S460G454-H459 VanDerWaalsContact CA-ND1 3.32Å; G454-H459 WeakPolarHBondContact CA-ND1 3.46Å; G454-S460 VanDerWaalsContact CA-OG 3.26Å; G454-S460 WeakPolarHBondContact CA-OG 3.35Å; G454-S460 PolarHBondContact N-OG 3.36Å
455V86Confident83.7Confident34 Ų3436 Ų3621%0.20620%0.199CC..SBendtrans-114.45.4-173.8-72.80000115.6T372 H459 A654 S655T372-V455 HydrophobicContact CG2-CG1 3.63Å; V455-H459 PolarHBondContact N-ND1 3.44Å; V455-A654 HydrophobicContact CG2-CB 3.83Å; V455-S655 WeakPolarHBondContact O-CB 3.38Å; V455-S655 PolarHBondContact O-OG 3.3Å
456A78.7Confident82Confident8 Ų839.5 Ų39.57%0.06622%0.22CC..SBendtrans-153.4162.3167.700000108.6H459 S460 A654 E679A456-H459 HydrophobicContact CB-CB 4.18Å; A456-H459 PolarHBondContact O-N 3.35Å; A456-S460 PolarHBondContact O-N 2.58Å; A456-S460 PolarHBondContact O-OG 2.87Å; A456-A654 WeakPolarHBondContact CB-O 3.39Å; A456-E679 WeakPolarHBondContact CA-OE1 3.44Å
457A79.7Confident80.4Confident49 Ų4940 Ų4041%0.40522%0.224SC..Hα-helixtrans-56.4-56.7178.800000111.9H459 S460 E461 E679A457-H459 PolarHBondContact O-N 3.08Å; A457-S460 PolarHBondContact O-N 2.85Å; A457-E461 WeakPolarHBondContact O-CG 3.46Å; A457-E461 PolarHBondContact O-N 3.01Å; A457-E679 HydrophobicContact CB-CG 4.27Å; A457-E679 PolarHBondContact N-OE1 3.46Å
458L73.9Confident78.8Confident35 Ų3539 Ų3918%0.18322%0.218CC..Hα-helixtrans-56.7-35.6177.4177.162.8000112.5E461 I462 V678 V696L458-E461 PolarHBondContact O-N 2.9Å; L458-I462 HydrophobicContact CD1-CD1 3.91Å; L458-I462 HydrophobicContact CD1-CG1 4.2Å; L458-I462 HydrophobicContact CD2-CD1 4.45Å; L458-I462 HydrophobicContact CG-CD1 3.8Å; L458-I462 HydrophobicContact CG-CG1 4.46Å; L458-I462 WeakPolarHBondContact O-CB 3.47Å; L458-I462 WeakPolarHBondContact O-CG1 3.43Å; L458-I462 PolarHBondContact O-N 3.47Å; L458-V678 HydrophobicContact CD2-CG2 4.07Å; L458-V696 HydrophobicContact CD2-CG2 4.35Å
459H77.1Confident76.7Confident5 Ų542.7 Ų42.72%0.02324%0.241CC..Hα-helixtrans-69.1-47.1178.2-178.4-94.6000111.9N373 G454 V455 A456 A457 E461 I462 L463 A654N373-H459 PolarHBondContact O-CE1 3.08Å; N373-H459 PolarHBondContact OD1-CE1 2.93Å; N373-H459 PolarHBondContact OD1-NE2 3.48Å; G454-H459 VanDerWaalsContact CA-ND1 3.32Å; G454-H459 WeakPolarHBondContact CA-ND1 3.46Å; V455-H459 PolarHBondContact N-ND1 3.44Å; A456-H459 HydrophobicContact CB-CB 4.18Å; A456-H459 PolarHBondContact O-N 3.35Å; A457-H459 PolarHBondContact O-N 3.08Å; H459-E461 PolarHBondContact O-N 3.47Å; H459-I462 PolarHBondContact O-N 3.49Å; H459-I462 VanDerWaalsContact O-N 3.09Å; H459-L463 WeakPolarHBondContact O-CG 3.24Å; H459-L463 PolarHBondContact O-N 3.11Å; H459-A654 WeakPolarHBondContact CB-O 3.34Å; H459-A654 VanDerWaalsContact CD2-CA 3.46Å; H459-A654 WeakPolarHBondContact CD2-CA 3.1Å; H459-A654 WeakPolarHBondContact CD2-CB 3.21Å; H459-A654 WeakPolarHBondContact NE2-CB 3.41Å
460S80.5Confident74.5Confident51 Ų5143.8 Ų43.836%0.35725%0.246SC..Hα-helixtrans-62.4-28.4174.1-61.80000112.6G454 A456 A457 P464G454-S460 VanDerWaalsContact CA-OG 3.26Å; G454-S460 WeakPolarHBondContact CA-OG 3.35Å; G454-S460 PolarHBondContact N-OG 3.36Å; A456-S460 PolarHBondContact O-N 2.58Å; A456-S460 PolarHBondContact O-OG 2.87Å; A457-S460 PolarHBondContact O-N 2.85Å; S460-P464 WeakPolarHBondContact O-CD 3.31Å
461E76Confident71.9Confident120 Ų12041.4 Ų41.456%0.56124%0.238SC*.Hα-helixtrans-75.1-33.9170.9-71.5-179.4167.100113.1A457 L458 H459 P464 F465A457-E461 WeakPolarHBondContact O-CG 3.46Å; A457-E461 PolarHBondContact O-N 3.01Å; L458-E461 PolarHBondContact O-N 2.9Å; H459-E461 PolarHBondContact O-N 3.47Å; E461-P464 WeakPolarHBondContact O-CD 3.5Å; E461-F465 WeakPolarHBondContact O-CD2 3.36Å; E461-F465 WeakPolarHBondContact O-CE2 3.37Å
462I71.5Confident69.1Low28 Ų2843.1 Ų43.114%0.14424%0.242CC..Hα-helixtrans-73-38.6179.1-76.7169.2000112.2V376 L458 H459 F465 T466V376-I462 HydrophobicContact CG1-CG2 3.78Å; L458-I462 HydrophobicContact CD1-CD1 3.91Å; L458-I462 HydrophobicContact CD1-CG1 4.2Å; L458-I462 HydrophobicContact CD2-CD1 4.45Å; L458-I462 HydrophobicContact CG-CD1 3.8Å; L458-I462 HydrophobicContact CG-CG1 4.46Å; L458-I462 WeakPolarHBondContact O-CB 3.47Å; L458-I462 WeakPolarHBondContact O-CG1 3.43Å; L458-I462 PolarHBondContact O-N 3.47Å; H459-I462 PolarHBondContact O-N 3.49Å; H459-I462 VanDerWaalsContact O-N 3.09Å; I462-F465 PolarHBondContact O-N 3.02Å; I462-T466 HydrophobicContact CG2-CG2 4.07Å; I462-T466 WeakPolarHBondContact CG2-OG1 3.15Å; I462-T466 PolarHBondContact O-N 3.22Å; I462-T466 PolarHBondContact O-OG1 3.02Å
463L73.3Confident66Low8 Ų852.3 Ų52.34%0.04227%0.274CS..THydrogen-bonded Turntrans-53.4-44.9-174.7-72.2179.4000114.3N373 V376 H459 F465 T467 F468N373-L463 HydrophobicContact CB-CD1 4.13Å; V376-L463 HydrophobicContact CG1-CD2 4.47Å; H459-L463 WeakPolarHBondContact O-CG 3.24Å; H459-L463 PolarHBondContact O-N 3.11Å; L463-F465 PolarHBondContact O-N 2.99Å; L463-T467 HydrophobicContact CD2-CG2 4.48Å; L463-F468 HydrophobicContact CB-CD2 4.06Å; L463-F468 HydrophobicContact CD1-CD2 4.44Å; L463-F468 HydrophobicContact CD1-CE2 4.26Å; L463-F468 HydrophobicContact CD2-CD2 3.97Å; L463-F468 HydrophobicContact CD2-CE2 3.75Å; L463-F468 HydrophobicContact CG-CD2 4.37Å; L463-F468 HydrophobicContact CG-CE2 4.41Å; L463-F468 WeakPolarHBondContact O-CA 3.31Å; L463-F468 WeakPolarHBondContact O-CB 3.26Å; L463-F468 PolarHBondContact O-N 3.06Å
464P60.7Low62.9Low36 Ų3658.9 Ų58.923%0.23431%0.308CS..THydrogen-bonded Turntrans-70.3-4.8176.8-2235.6000116.1S460 E461 T469 F472S460-P464 WeakPolarHBondContact O-CD 3.31Å; E461-P464 WeakPolarHBondContact O-CD 3.5Å; P464-T469 WeakPolarHBondContact O-CA 3.33Å; P464-F472 HydrophobicContact CB-CB 3.84Å; P464-F472 HydrophobicContact CG-CB 3.87Å; P464-F472 HydrophobicContact CG-CG 4.49Å
465F56.4Low59.8Low155 Ų15562.9 Ų62.968%0.6834%0.34SS*.THydrogen-bonded Turntrans-115.5-32-179.4-59.5-59.6000113.4E461 I462 L463 T469E461-F465 WeakPolarHBondContact O-CD2 3.36Å; E461-F465 WeakPolarHBondContact O-CE2 3.37Å; I462-F465 PolarHBondContact O-N 3.02Å; L463-F465 PolarHBondContact O-N 2.99Å; F465-T469 VanDerWaalsContact C-OG1 3.27Å; F465-T469 VanDerWaalsContact O-CG2 3.23Å; F465-T469 WeakPolarHBondContact O-CG2 3.39Å; F465-T469 PolarHBondContact O-OG1 3.05Å
466T61.7Low56.8Low73 Ų7365 Ų6545%0.44836%0.356SS..THydrogen-bonded Turntrans-109.3-64.3-176.159.50000113.2I462 T469I462-T466 HydrophobicContact CG2-CG2 4.07Å; I462-T466 WeakPolarHBondContact CG2-OG1 3.15Å; I462-T466 PolarHBondContact O-N 3.22Å; I462-T466 PolarHBondContact O-OG1 3.02Å; T466-T469 PolarHBondContact O-OG1 3.27Å
467T58.6Low54.1Low26 Ų2674.1 Ų74.116%0.1639%0.394CS..THydrogen-bonded Turntrans-78.1-37.7-171-37.90000111.9L381 L463L381-T467 HydrophobicContact CD1-CG2 3.74Å; L381-T467 HydrophobicContact CD2-CG2 4.45Å; L463-T467 HydrophobicContact CD2-CG2 4.48Å
468F62.3Low51.4Low3 Ų376.8 Ų76.81%0.01340%0.401CS..SBendtrans-130.638.4-170.8-53.4-43.4000112.2Y371 N373 A442 I446 L463 N470 C471 F472Y371-F468 HydrophobicContact CE1-CZ 4.48Å; N373-F468 HydrophobicContact CB-CE2 4.37Å; A442-F468 HydrophobicContact CB-CE1 3.74Å; A442-F468 HydrophobicContact CB-CZ 3.95Å; I446-F468 HydrophobicContact CD1-CB 4.26Å; I446-F468 HydrophobicContact CD1-CD1 3.4Å; I446-F468 HydrophobicContact CD1-CD2 3.79Å; I446-F468 HydrophobicContact CD1-CE1 3.59Å; I446-F468 HydrophobicContact CD1-CE2 3.95Å; I446-F468 HydrophobicContact CD1-CG 3.54Å; I446-F468 HydrophobicContact CD1-CZ 3.88Å; L463-F468 HydrophobicContact CB-CD2 4.06Å; L463-F468 HydrophobicContact CD1-CD2 4.44Å; L463-F468 HydrophobicContact CD1-CE2 4.26Å; L463-F468 HydrophobicContact CD2-CD2 3.97Å; L463-F468 HydrophobicContact CD2-CE2 3.75Å; L463-F468 HydrophobicContact CG-CD2 4.37Å; L463-F468 HydrophobicContact CG-CE2 4.41Å; L463-F468 WeakPolarHBondContact O-CA 3.31Å; L463-F468 WeakPolarHBondContact O-CB 3.26Å; L463-F468 PolarHBondContact O-N 3.06Å; F468-N470 PolarHBondContact O-N 2.9Å; F468-C471 HydrophobicContact CB-CB 4.36Å; F468-C471 PolarHBondContact O-N 3.14Å; F468-F472 HydrophobicContact CB-CD2 3.57Å; F468-F472 HydrophobicContact CB-CE2 3.72Å; F468-F472 HydrophobicContact CD2-CD2 4.19Å; F468-F472 AromaticContact CD2-CE2 3.67Å; F468-F472 HydrophobicContact CD2-CE2 3.67Å; F468-F472 HydrophobicContact CG-CD2 4.28Å; F468-F472 AromaticContact CG-CE2 3.94Å; F468-F472 HydrophobicContact CG-CE2 3.94Å
469T54.3Low48.9Very low77 Ų7786.7 Ų86.747%0.47244%0.436SS..THydrogen-bonded Turntrans-53.7-17.6-172.4-350000116P464 F465 T466P464-T469 WeakPolarHBondContact O-CA 3.33Å; F465-T469 VanDerWaalsContact C-OG1 3.27Å; F465-T469 VanDerWaalsContact O-CG2 3.23Å; F465-T469 WeakPolarHBondContact O-CG2 3.39Å; F465-T469 PolarHBondContact O-OG1 3.05Å; T466-T469 PolarHBondContact O-OG1 3.27Å
470N50.2Low46.3Very low32 Ų3292.4 Ų92.417%0.17146%0.462CS..THydrogen-bonded Turntrans-105.6-6.9-179.9-55.8-83000113.5R421 R424 M425 F468R421-N470 PolarHBondContact NH1-OD1 2.92Å; R424-N470 PolarHBondContact NE-ND2 3.4Å; R424-N470 PolarHBondContact NE-OD1 3.15Å; R424-N470 VanDerWaalsContact NE-OD1 3.1Å; R424-N470 PolarHBondContact NH2-OD1 2.86Å; M425-N470 WeakPolarHBondContact CE-O 3.33Å; M425-N470 HydrophobicContact CG-CB 3.38Å; M425-N470 HydrophobicContact SD-CB 3.68Å; F468-N470 PolarHBondContact O-N 2.9Å
471C43.5Very low43.6Very low34 Ų3496.8 Ų96.823%0.2349%0.487CS..THydrogen-bonded Turntrans-115.9-8.7-161.1-55.70000115.7I446 F468I446-C471 HydrophobicContact CG2-CB 4.08Å; F468-C471 HydrophobicContact CB-CB 4.36Å; F468-C471 PolarHBondContact O-N 3.14Å
472F35.7Very low41.2Very low55 Ų55100.3 Ų100.324%0.24150%0.504CS..  trans-125.5137.3-172.3-80.3-73.3000116.5I446 I452 P464 F468I446-F472 HydrophobicContact CB-CZ 4.49Å; I446-F472 HydrophobicContact CD1-CE2 3.86Å; I446-F472 HydrophobicContact CD1-CZ 4.34Å; I446-F472 HydrophobicContact CG1-CE2 4.01Å; I446-F472 HydrophobicContact CG1-CZ 3.97Å; I446-F472 HydrophobicContact CG2-CE2 3.99Å; I446-F472 HydrophobicContact CG2-CZ 3.75Å; I452-F472 HydrophobicContact CB-CE1 3.69Å; I452-F472 HydrophobicContact CB-CZ 3.51Å; I452-F472 HydrophobicContact CD1-CE1 3.88Å; I452-F472 HydrophobicContact CD1-CZ 3.87Å; I452-F472 HydrophobicContact CG1-CE1 4.16Å; I452-F472 HydrophobicContact CG1-CZ 3.82Å; I452-F472 HydrophobicContact CG2-CE1 4.21Å; I452-F472 HydrophobicContact CG2-CE2 4.47Å; I452-F472 HydrophobicContact CG2-CZ 3.61Å; P464-F472 HydrophobicContact CB-CB 3.84Å; P464-F472 HydrophobicContact CG-CB 3.87Å; P464-F472 HydrophobicContact CG-CG 4.49Å; F468-F472 HydrophobicContact CB-CD2 3.57Å; F468-F472 HydrophobicContact CB-CE2 3.72Å; F468-F472 HydrophobicContact CD2-CD2 4.19Å; F468-F472 AromaticContact CD2-CE2 3.67Å; F468-F472 HydrophobicContact CD2-CE2 3.67Å; F468-F472 HydrophobicContact CG-CD2 4.28Å; F468-F472 AromaticContact CG-CE2 3.94Å; F468-F472 HydrophobicContact CG-CE2 3.94Å
473R26.7Very low39Very low231 Ų231103.3 Ų103.387%0.87253%0.527SS*.  trans-158.8140.9156.2-95.8169.271.3157.21.6107.7
474I24.9Very low36.7Very low168 Ų168113.9 Ų113.986%0.86257%0.566SS**  trans75.8133.5-177.2-48.6155.9000111.7
475A24Very low35.5Very low93 Ų93114.4 Ų114.477%0.76957%0.57SS**  cis-131.6-161.4-4.700000109.3
476S24.1Very low34.1Very low79 Ų79112.6 Ų112.655%0.55257%0.571SS**  cis-144.6-172.9-1.478.60000110.3E811S476-E811 WeakPolarHBondContact CB-OE2 3.44Å; S476-E811 PolarHBondContact OG-OE2 3.38Å
477K21.4Very low33.6Very low198 Ų198119.4 Ų119.486%0.86159%0.588SS**  trans-159.6129172.8-161.3164-168.9156.90112.4
478I22.8Very low34Very low106 Ų106119.4 Ų119.454%0.54459%0.587SS.*  trans-134.5155.3-173.7-68.3-178.2000112.4R810 E811I478-R810 VanDerWaalsContact CD1-NH2 3.27Å; I478-E811 WeakPolarHBondContact CD1-OE1 3.23Å
479R21Very low34.8Very low243 Ų243121.7 Ų121.792%0.91761%0.612SS**  trans-113.1158.4178.8-82.1177.2161.2172.9-6.6111.8
480Q23.5Very low36.1Very low124 Ų124124.6 Ų124.658%0.57962%0.62SS**  trans-106.3168167-63.4-176.47.200111.8
481T23.1Very low37.8Very low143 Ų143128.6 Ų128.688%0.87764%0.641SS**  trans-141.8142.9174.547.70000110.8
482E24.7Very low39.8Very low195 Ų195131.3 Ų131.391%0.91165%0.646SS**  trans-92.2160.5-169.8-52.5-180141.700114.4
483S25.5Very low42.1Very low90 Ų90131.3 Ų131.363%0.62965%0.648SS**  trans-147.1171.2154.477.40000112
484R26.4Very low44.9Very low230 Ų230121.7 Ų121.787%0.86862%0.615SS**  trans-110.6165.8-152.1-77.8-176.3174.6-169.7-1.6115.9
485P34.8Very low48Very low47 Ų47116.7 Ų116.731%0.30559%0.59SS.*  trans-121.6160.4-15443.9-35.4000118.5Q501 Q504P485-Q501 HydrophobicContact CB-CB 3.41Å; P485-Q501 VanDerWaalsContact CB-CB 3.41Å; P485-Q501 VanDerWaalsContact CB-CD 3.49Å; P485-Q501 HydrophobicContact CB-CG 3.57Å; P485-Q501 VanDerWaalsContact CB-OE1 3.23Å; P485-Q501 HydrophobicContact CG-CB 4.37Å; P485-Q504 VanDerWaalsContact CB-NE2 3.33Å; P485-Q504 VanDerWaalsContact CG-NE2 3.25Å
486V28.1Very low51.1Low117 Ų117113.3 Ų113.371%0.70956%0.559SS**SBendtrans-146.2153.7149.2-176.20000106.4I488V486-I488 WeakPolarHBondContact O-CA 3.46Å; V486-I488 PolarHBondContact O-N 3.08Å
487R51.1Low54.2Low216 Ų216111.5 Ų111.582%0.81555%0.549SS*.SBendtrans-12.3101.9175.9-73.4-173175.9-173.9-0.4113.8G489 Y505R487-G489 PolarHBondContact O-N 3.04Å; R487-Y505 WeakPolarHBondContact CG-OH 3.43Å; R487-Y505 PolarHBondContact N-OH 2.87Å
488I65.8Low57.5Low26 Ų26104.1 Ų104.113%0.13352%0.517CS..  trans-71.810.4-13870.3171.6000118.3V486 W492 L499 Q501 L502V486-I488 WeakPolarHBondContact O-CA 3.46Å; V486-I488 PolarHBondContact O-N 3.08Å; I488-W492 HydrophobicContact CD1-CB 3.9Å; I488-W492 HydrophobicContact CD1-CG 3.75Å; I488-W492 HydrophobicContact CG1-CG 4.34Å; I488-L499 HydrophobicContact CD1-CD2 3.77Å; I488-Q501 HydrophobicContact CG2-CB 3.6Å; I488-Q501 HydrophobicContact CG2-CG 4.47Å; I488-L502 HydrophobicContact CD1-CD1 4.44Å; I488-L502 HydrophobicContact CD1-CD2 4.12Å; I488-L502 HydrophobicContact CD1-CG 4.21Å; I488-L502 HydrophobicContact CG2-CD2 4.14Å
489G79.5Confident60.6Low51 Ų5199.4 Ų99.453%0.52649%0.494SS..  trans58.2-147.3-175.300000113R487 W492R487-G489 PolarHBondContact O-N 3.04Å; G489-W492 PolarHBondContact O-NE1 3.42Å
490E81.6Confident64.1Low139 Ų13990.3 Ų90.365%0.6547%0.467SS*.SBendtrans-110.4-4.7179.4-65.7176.5-175.500113.1W492 I493E490-W492 PolarHBondContact O-N 3.43Å; E490-W492 VanDerWaalsContact O-N 3.09Å; E490-I493 HydrophobicContact CB-CD1 4.22Å; E490-I493 WeakPolarHBondContact O-CB 2.97Å; E490-I493 WeakPolarHBondContact O-CG1 3.32Å; E490-I493 PolarHBondContact O-N 3.18Å
491L85Confident67.3Low116 Ų11685.4 Ų85.461%0.60744%0.444SS*.G310 helixtrans-58.9-26.1-177.3-68.6172.1000113.5I493 T494 D495L491-I493 PolarHBondContact O-N 2.82Å; L491-I493 VanDerWaalsContact O-N 3.16Å; L491-T494 PolarHBondContact O-N 3.14Å; L491-D495 PolarHBondContact O-N 3.45Å
492W86.1Confident70.5Confident91 Ų9179.5 Ų79.535%0.34541%0.407SS..G310 helixtrans-62.5-18176.965.8-89.8000114.1I488 G489 E490 D495 L496 H498 L499I488-W492 HydrophobicContact CD1-CB 3.9Å; I488-W492 HydrophobicContact CD1-CG 3.75Å; I488-W492 HydrophobicContact CG1-CG 4.34Å; G489-W492 PolarHBondContact O-NE1 3.42Å; E490-W492 PolarHBondContact O-N 3.43Å; E490-W492 VanDerWaalsContact O-N 3.09Å; W492-D495 CarbonylContact O-C 3.39Å; W492-L496 HydrophobicContact CE3-CD1 4.06Å; W492-L496 VanDerWaalsContact O-CA 3.27Å; W492-L496 WeakPolarHBondContact O-CA 3.27Å; W492-L496 WeakPolarHBondContact O-CD1 3.37Å; W492-L496 PolarHBondContact O-N 2.9Å; W492-H498 HydrophobicContact CB-CB 3.79Å; W492-L499 HydrophobicContact CB-CD2 4.03Å; W492-L499 HydrophobicContact CB-CG 4.49Å; W492-L499 HydrophobicContact CD2-CD2 4.07Å; W492-L499 HydrophobicContact CE3-CD2 4Å; W492-L499 HydrophobicContact CG-CD2 4.1Å
493I83.1Confident73.8Confident54 Ų5473.9 Ų73.928%0.27738%0.38SS..G310 helixtrans-69.7-35.6179.7-58.6170.3000110.8Y232 E490 L491Y232-I493 HydrophobicContact CD1-CG2 4.16Å; Y232-I493 HydrophobicContact CD2-CG2 4.15Å; Y232-I493 HydrophobicContact CE1-CB 4.33Å; Y232-I493 HydrophobicContact CE1-CG2 3.8Å; Y232-I493 HydrophobicContact CE2-CG2 3.81Å; Y232-I493 HydrophobicContact CG-CG2 4.32Å; Y232-I493 WeakPolarHBondContact OH-CD1 3.4Å; E490-I493 HydrophobicContact CB-CD1 4.22Å; E490-I493 WeakPolarHBondContact O-CB 2.97Å; E490-I493 WeakPolarHBondContact O-CG1 3.32Å; E490-I493 PolarHBondContact O-N 3.18Å; L491-I493 PolarHBondContact O-N 2.82Å; L491-I493 VanDerWaalsContact O-N 3.16Å
494T87.2Confident76.9Confident30 Ų3073.9 Ų73.918%0.18437%0.37CS..THydrogen-bonded Turntrans-108.1-8177.353.70000114T147 Y232 L491T147-T494 HydrophobicContact CG2-CG2 4.09Å; Y232-T494 HydrophobicContact CD1-CG2 3.57Å; Y232-T494 HydrophobicContact CE1-CG2 4.27Å; Y232-T494 HydrophobicContact CG-CG2 4.34Å; L491-T494 PolarHBondContact O-N 3.14Å
495D89.6Confident79.9Confident63 Ų6364.6 Ų64.634%0.33734%0.335SS..  trans-139.779.6168.1-174.822.4000112.1L491 W492 A497 H498L491-D495 PolarHBondContact O-N 3.45Å; W492-D495 CarbonylContact O-C 3.39Å; D495-A497 PolarHBondContact O-N 2.86Å; D495-H498 WeakPolarHBondContact O-CB 3.45Å; D495-H498 PolarHBondContact O-N 3.34Å; D495-H498 PolarHBondContact O-ND1 3.24Å; D495-H498 IonicContact OD2-CE1 2.63Å; D495-H498 PolarHBondContact OD2-CE1 3.29Å; D495-H498 IonicContact OD2-ND1 3.89Å; D495-H498 PolarHBondContact OD2-ND1 3.01Å; D495-H498 VanDerWaalsContact OD2-ND1 3.11Å
496L88.2Confident82.5Confident21 Ų2162.4 Ų62.411%0.1132%0.321CS..G310 helixtrans-57.3-14-175.4-155.471.7000114.4W492 H498 L499 L664 G797W492-L496 HydrophobicContact CE3-CD1 4.06Å; W492-L496 VanDerWaalsContact O-CA 3.27Å; W492-L496 WeakPolarHBondContact O-CA 3.27Å; W492-L496 WeakPolarHBondContact O-CD1 3.37Å; W492-L496 PolarHBondContact O-N 2.9Å; L496-H498 PolarHBondContact O-N 3.24Å; L496-L499 HydrophobicContact CD1-CD1 3.52Å; L496-L499 HydrophobicContact CD1-CG 3.97Å; L496-L499 HydrophobicContact CG-CD1 3.8Å; L496-L499 HydrophobicContact CG-CG 4.21Å; L496-L499 WeakPolarHBondContact O-CB 3.37Å; L496-L499 PolarHBondContact O-N 3.32Å; L496-L664 HydrophobicContact CD1-CD1 4.33Å; L496-G797 VanDerWaalsContact O-CA 3.26Å; L496-G797 WeakPolarHBondContact O-CA 3.38Å
497A90.6Very high85.3Confident42 Ų4262.5 Ų62.535%0.34732%0.318SS..G310 helixtrans-56.5-27.4169.300000112.6D495 L499 S500D495-A497 PolarHBondContact O-N 2.86Å; A497-L499 PolarHBondContact O-N 2.87Å; A497-L499 VanDerWaalsContact O-N 3.17Å; A497-S500 WeakPolarHBondContact O-CB 3.39Å; A497-S500 PolarHBondContact O-N 3.08Å; A497-S500 VanDerWaalsContact O-N 3.13Å; A497-S500 PolarHBondContact O-OG 3.1Å
498H89.7Confident87.1Confident42 Ų4255.9 Ų55.919%0.19430%0.298CS..G310 helixtrans-63.7-13.3174.2-7377000114W492 D495 L496 S500 Q501W492-H498 HydrophobicContact CB-CB 3.79Å; D495-H498 WeakPolarHBondContact O-CB 3.45Å; D495-H498 PolarHBondContact O-N 3.34Å; D495-H498 PolarHBondContact O-ND1 3.24Å; D495-H498 IonicContact OD2-CE1 2.63Å; D495-H498 PolarHBondContact OD2-CE1 3.29Å; D495-H498 IonicContact OD2-ND1 3.89Å; D495-H498 PolarHBondContact OD2-ND1 3.01Å; D495-H498 VanDerWaalsContact OD2-ND1 3.11Å; L496-H498 PolarHBondContact O-N 3.24Å; H498-S500 PolarHBondContact O-N 3.15Å; H498-Q501 PolarHBondContact CD2-NE2 3.39Å; H498-Q501 WeakPolarHBondContact O-CB 3.4Å; H498-Q501 VanDerWaalsContact O-CG 3.23Å; H498-Q501 WeakPolarHBondContact O-CG 3.31Å; H498-Q501 PolarHBondContact O-N 2.98Å
499L88.9Confident88.1Confident8 Ų860 Ų604%0.04233%0.325CS..G310 helixtrans-66.8-24.6171.5-65-173000112.8I488 W492 L496 A497 Q501 L502 L664 I793 A794 S796I488-L499 HydrophobicContact CD1-CD2 3.77Å; W492-L499 HydrophobicContact CB-CD2 4.03Å; W492-L499 HydrophobicContact CB-CG 4.49Å; W492-L499 HydrophobicContact CD2-CD2 4.07Å; W492-L499 HydrophobicContact CE3-CD2 4Å; W492-L499 HydrophobicContact CG-CD2 4.1Å; L496-L499 HydrophobicContact CD1-CD1 3.52Å; L496-L499 HydrophobicContact CD1-CG 3.97Å; L496-L499 HydrophobicContact CG-CD1 3.8Å; L496-L499 HydrophobicContact CG-CG 4.21Å; L496-L499 WeakPolarHBondContact O-CB 3.37Å; L496-L499 PolarHBondContact O-N 3.32Å; A497-L499 PolarHBondContact O-N 2.87Å; A497-L499 VanDerWaalsContact O-N 3.17Å; L499-Q501 PolarHBondContact O-N 3.36Å; L499-L502 HydrophobicContact CD2-CD1 4.01Å; L499-L502 VanDerWaalsContact O-CB 3.3Å; L499-L502 WeakPolarHBondContact O-CB 3.45Å; L499-L502 WeakPolarHBondContact O-CG 3.43Å; L499-L502 PolarHBondContact O-N 3.07Å; L499-L664 HydrophobicContact CD1-CD1 3.56Å; L499-I793 HydrophobicContact CD1-CG2 4.44Å; L499-A794 CarbonylContact C-O 3.59Å; L499-A794 VanDerWaalsContact O-CA 3.24Å; L499-A794 WeakPolarHBondContact O-CA 3.45Å; L499-A794 VanDerWaalsContact O-CB 3.32Å; L499-A794 WeakPolarHBondContact O-CB 3.39Å; L499-S796 VanDerWaalsContact CD1-OG 3.32Å; L499-S796 WeakPolarHBondContact CD1-OG 2.93Å
500S93.6Very high88.5Confident52 Ų5259.6 Ų59.636%0.36432%0.32SS..G310 helixtrans-54.1-31.2176.960.50000112.9A497 H498 L502 K503 A794A497-S500 WeakPolarHBondContact O-CB 3.39Å; A497-S500 PolarHBondContact O-N 3.08Å; A497-S500 VanDerWaalsContact O-N 3.13Å; A497-S500 PolarHBondContact O-OG 3.1Å; H498-S500 PolarHBondContact O-N 3.15Å; S500-L502 PolarHBondContact O-N 3.26Å; S500-K503 WeakPolarHBondContact O-CB 3.23Å; S500-K503 VanDerWaalsContact O-CG 3.27Å; S500-K503 WeakPolarHBondContact O-CG 3.43Å; S500-K503 PolarHBondContact O-N 3.13Å; S500-A794 WeakPolarHBondContact CA-O 3.48Å; S500-A794 PolarHBondContact N-O 3.48Å
501Q90.8Very high88.8Confident20 Ų2056 Ų569%0.09330%0.303CS..G310 helixtrans-60.9-22176.9-60.5-162.3500114P485 I488 H498 L499 K503 Q504P485-Q501 HydrophobicContact CB-CB 3.41Å; P485-Q501 VanDerWaalsContact CB-CB 3.41Å; P485-Q501 VanDerWaalsContact CB-CD 3.49Å; P485-Q501 HydrophobicContact CB-CG 3.57Å; P485-Q501 VanDerWaalsContact CB-OE1 3.23Å; P485-Q501 HydrophobicContact CG-CB 4.37Å; I488-Q501 HydrophobicContact CG2-CB 3.6Å; I488-Q501 HydrophobicContact CG2-CG 4.47Å; H498-Q501 PolarHBondContact CD2-NE2 3.39Å; H498-Q501 WeakPolarHBondContact O-CB 3.4Å; H498-Q501 VanDerWaalsContact O-CG 3.23Å; H498-Q501 WeakPolarHBondContact O-CG 3.31Å; H498-Q501 PolarHBondContact O-N 2.98Å; L499-Q501 PolarHBondContact O-N 3.36Å; Q501-K503 PolarHBondContact O-N 3.16Å; Q501-Q504 WeakPolarHBondContact O-CG 3.49Å; Q501-Q504 PolarHBondContact O-NE2 3.22Å
502L90.7Very high89Confident20 Ų2050.7 Ų50.711%0.10528%0.275CS..G310 helixtrans-71.8-16.8178.2-62.5176.9000113.1I488 L499 S500 Q504 Y505 F511 L790 I793 A794I488-L502 HydrophobicContact CD1-CD1 4.44Å; I488-L502 HydrophobicContact CD1-CD2 4.12Å; I488-L502 HydrophobicContact CD1-CG 4.21Å; I488-L502 HydrophobicContact CG2-CD2 4.14Å; L499-L502 HydrophobicContact CD2-CD1 4.01Å; L499-L502 VanDerWaalsContact O-CB 3.3Å; L499-L502 WeakPolarHBondContact O-CB 3.45Å; L499-L502 WeakPolarHBondContact O-CG 3.43Å; L499-L502 PolarHBondContact O-N 3.07Å; S500-L502 PolarHBondContact O-N 3.26Å; L502-Q504 PolarHBondContact O-N 3.42Å; L502-Q504 VanDerWaalsContact O-N 3.11Å; L502-Y505 HydrophobicContact CD2-CD2 4.21Å; L502-Y505 HydrophobicContact CD2-CE2 4.45Å; L502-Y505 PolarHBondContact O-N 3.46Å; L502-F511 HydrophobicContact CD2-CE2 4.42Å; L502-F511 HydrophobicContact CD2-CZ 4.08Å; L502-L790 HydrophobicContact CB-CD1 3.95Å; L502-I793 HydrophobicContact CD1-CG2 4.15Å; L502-A794 HydrophobicContact CB-CB 3.93Å
503K92.6Very high89.1Confident77 Ų7750.2 Ų50.234%0.33528%0.277SS..G310 helixtrans-56-28.8176.9-67176.9-175.81800112.8S500 Q501 Y505 A506 Y791 A794 S795S500-K503 WeakPolarHBondContact O-CB 3.23Å; S500-K503 VanDerWaalsContact O-CG 3.27Å; S500-K503 WeakPolarHBondContact O-CG 3.43Å; S500-K503 PolarHBondContact O-N 3.13Å; Q501-K503 PolarHBondContact O-N 3.16Å; K503-Y505 PolarHBondContact O-N 2.78Å; K503-A506 WeakPolarHBondContact O-CB 3.27Å; K503-A506 PolarHBondContact O-N 2.64Å; K503-Y791 HydrophobicContact CB-CE1 4.1Å; K503-Y791 HydrophobicContact CD-CD1 4.25Å; K503-Y791 HydrophobicContact CD-CE1 4.17Å; K503-Y791 HydrophobicContact CG-CD1 3.93Å; K503-Y791 HydrophobicContact CG-CE1 3.85Å; K503-A794 HydrophobicContact CG-CB 3.65Å; K503-S795 WeakPolarHBondContact CE-OG 3.29Å; K503-S795 PolarHBondContact NZ-OG 3.1Å
504Q92Very high89.4Confident90 Ų9050 Ų5042%0.42128%0.28SS..G310 helixtrans-62.2-21.5175.981-171.4-71.600113.8P485 Q501 L502P485-Q504 VanDerWaalsContact CB-NE2 3.33Å; P485-Q504 VanDerWaalsContact CG-NE2 3.25Å; Q501-Q504 WeakPolarHBondContact O-CG 3.49Å; Q501-Q504 PolarHBondContact O-NE2 3.22Å; L502-Q504 PolarHBondContact O-N 3.42Å; L502-Q504 VanDerWaalsContact O-N 3.11Å
505Y89.5Confident89.3Confident34 Ų3450 Ų5013%0.13328%0.279CS..G310 helixtrans-94.57.2-177.9-58.9-57.4000113.1R487 L502 K503 D507 N508 F511R487-Y505 WeakPolarHBondContact CG-OH 3.43Å; R487-Y505 PolarHBondContact N-OH 2.87Å; L502-Y505 HydrophobicContact CD2-CD2 4.21Å; L502-Y505 HydrophobicContact CD2-CE2 4.45Å; L502-Y505 PolarHBondContact O-N 3.46Å; K503-Y505 PolarHBondContact O-N 2.78Å; Y505-D507 PolarHBondContact O-N 3.36Å; Y505-N508 HydrophobicContact CD1-CB 4.18Å; Y505-N508 WeakPolarHBondContact O-CB 3.22Å; Y505-N508 PolarHBondContact O-N 3.46Å; Y505-F511 HydrophobicContact CD2-CD2 4.13Å; Y505-F511 HydrophobicContact CD2-CE2 4.14Å; Y505-F511 HydrophobicContact CG-CD2 4.09Å; Y505-F511 HydrophobicContact CG-CG 4.17Å
506A88.6Confident89.3Confident2 Ų252.6 Ų52.62%0.01728%0.284CS..THydrogen-bonded Turntrans-58.2-29.6176.400000113.8K503 R787 Y791K503-A506 WeakPolarHBondContact O-CB 3.27Å; K503-A506 PolarHBondContact O-N 2.64Å; A506-R787 HydrophobicContact CB-CG 4.44Å; A506-R787 WeakPolarHBondContact O-CG 3.5Å; A506-R787 PolarHBondContact O-NE 3.01Å; A506-Y791 HydrophobicContact CB-CE2 3.87Å
507D86.8Confident89.4Confident119 Ų11957.4 Ų57.464%0.63630%0.301SS*.THydrogen-bonded Turntrans-98.4-0.3175.3-64-70000113.5Y505 T509 R787Y505-D507 PolarHBondContact O-N 3.36Å; D507-T509 PolarHBondContact O-N 2.65Å; D507-R787 IonicContact OD1-CZ 2.69Å; D507-R787 IonicContact OD1-NE 2.65Å; D507-R787 IonicContact OD1-NH1 2.78Å; D507-R787 IonicContact OD1-NH2 3.91Å; D507-R787 PolarHBondContact OD1-NH2 3.49Å
508N88.9Confident89.2Confident76 Ų7658.5 Ų58.541%0.40630%0.303SS..  trans-87.4100.7-177.8-169.5-67.1000111.4Y505 G510 F511 L512Y505-N508 HydrophobicContact CD1-CB 4.18Å; Y505-N508 WeakPolarHBondContact O-CB 3.22Å; Y505-N508 PolarHBondContact O-N 3.46Å; N508-G510 VanDerWaalsContact C-N 3.33Å; N508-G510 PolarHBondContact O-N 2.86Å; N508-G510 PolarHBondContact OD1-N 2.94Å; N508-F511 HydrophobicContact CB-CB 3.99Å; N508-F511 PolarHBondContact O-N 2.93Å; N508-F511 VanDerWaalsContact O-N 3.11Å; N508-F511 PolarHBondContact OD1-N 2.89Å; N508-L512 WeakPolarHBondContact O-CG 3.08Å; N508-L512 PolarHBondContact O-N 3.45Å
509T87.4Confident89.2Confident113 Ų11357.8 Ų57.869%0.69330%0.299SS*.Hα-helixtrans-54.7-42.5-178.250.20000113.6D507 F511 L512 E513D507-T509 PolarHBondContact O-N 2.65Å; T509-F511 VanDerWaalsContact C-N 3.35Å; T509-F511 PolarHBondContact O-N 2.87Å; T509-L512 PolarHBondContact O-N 3.18Å; T509-E513 VanDerWaalsContact O-CB 3.28Å; T509-E513 WeakPolarHBondContact O-CB 3.44Å; T509-E513 PolarHBondContact O-N 3.32Å
510G87.9Confident89.4Confident42 Ų4260.1 Ų60.143%0.43331%0.31SS..Hα-helixtrans-66.9-32178.500000114N508 S514N508-G510 VanDerWaalsContact C-N 3.33Å; N508-G510 PolarHBondContact O-N 2.86Å; N508-G510 PolarHBondContact OD1-N 2.94Å; G510-S514 WeakPolarHBondContact O-CB 3.31Å; G510-S514 PolarHBondContact O-N 2.95Å; G510-S514 VanDerWaalsContact O-N 3.1Å; G510-S514 PolarHBondContact O-OG 3.41Å
511F87.8Confident89.3Confident63 Ų6361.8 Ų61.828%0.27631%0.312SS..Hα-helixtrans-72.6-46.7172.9-169.4-81.1000111.4L502 Y505 N508 T509 E513 S514 L515 L790L502-F511 HydrophobicContact CD2-CE2 4.42Å; L502-F511 HydrophobicContact CD2-CZ 4.08Å; Y505-F511 HydrophobicContact CD2-CD2 4.13Å; Y505-F511 HydrophobicContact CD2-CE2 4.14Å; Y505-F511 HydrophobicContact CG-CD2 4.09Å; Y505-F511 HydrophobicContact CG-CG 4.17Å; N508-F511 HydrophobicContact CB-CB 3.99Å; N508-F511 PolarHBondContact O-N 2.93Å; N508-F511 VanDerWaalsContact O-N 3.11Å; N508-F511 PolarHBondContact OD1-N 2.89Å; T509-F511 VanDerWaalsContact C-N 3.35Å; T509-F511 PolarHBondContact O-N 2.87Å; F511-E513 VanDerWaalsContact C-N 3.28Å; F511-E513 PolarHBondContact O-N 3.42Å; F511-S514 WeakPolarHBondContact O-CB 3.33Å; F511-S514 PolarHBondContact O-N 3.01Å; F511-S514 VanDerWaalsContact O-N 3.15Å; F511-L515 PolarHBondContact O-N 2.97Å; F511-L790 HydrophobicContact CD1-CD1 4.4Å; F511-L790 HydrophobicContact CD1-CD2 3.9Å; F511-L790 HydrophobicContact CE1-CD1 3.6Å; F511-L790 HydrophobicContact CE1-CD2 3.93Å; F511-L790 HydrophobicContact CE1-CG 4.43Å; F511-L790 HydrophobicContact CZ-CD1 4.36Å
512L88.8Confident89.3Confident6 Ų662 Ų623%0.03131%0.314CS..Hα-helixtrans-60.1-39.1176.2-64-177.7000111.8N508 T509 L515 R516 P783 L786 R787 L790N508-L512 WeakPolarHBondContact O-CG 3.08Å; N508-L512 PolarHBondContact O-N 3.45Å; T509-L512 PolarHBondContact O-N 3.18Å; L512-L515 WeakPolarHBondContact O-CB 3.43Å; L512-L515 PolarHBondContact O-N 3.26Å; L512-R516 PolarHBondContact O-N 3.29Å; L512-P783 HydrophobicContact CD1-CB 4.21Å; L512-L786 HydrophobicContact CB-CB 4.11Å; L512-L786 HydrophobicContact CB-CD1 4.19Å; L512-L786 HydrophobicContact CD1-CB 4.46Å; L512-L786 HydrophobicContact CD2-CB 4.01Å; L512-L786 HydrophobicContact CG-CB 4.42Å; L512-R787 HydrophobicContact CD1-CG 4.13Å; L512-R787 HydrophobicContact CD2-CG 4.45Å; L512-L790 HydrophobicContact CD2-CB 4.43Å; L512-L790 HydrophobicContact CD2-CD2 3.92Å
513E88.9Confident89.5Confident81 Ų8161.3 Ų61.338%0.37931%0.31SS..Hα-helixtrans-67.3-37.4175.5178.654-15700112.1T509 F511 R516 R517T509-E513 VanDerWaalsContact O-CB 3.28Å; T509-E513 WeakPolarHBondContact O-CB 3.44Å; T509-E513 PolarHBondContact O-N 3.32Å; F511-E513 VanDerWaalsContact C-N 3.28Å; F511-E513 PolarHBondContact O-N 3.42Å; E513-R516 WeakPolarHBondContact O-CB 3.27Å; E513-R516 PolarHBondContact O-N 3.47Å; E513-R516 IonicContact OE1-CZ 3.55Å; E513-R516 IonicContact OE1-NE 2.75Å; E513-R516 PolarHBondContact OE1-NE 3.49Å; E513-R516 IonicContact OE1-NH2 3.51Å; E513-R516 PolarHBondContact OE1-NH2 3.14Å; E513-R516 IonicContact OE2-CZ 3.02Å; E513-R516 IonicContact OE2-NE 2.68Å; E513-R516 PolarHBondContact OE2-NE 3.25Å; E513-R516 IonicContact OE2-NH2 3.4Å; E513-R517 WeakPolarHBondContact O-CB 3.29Å; E513-R517 PolarHBondContact O-N 3.03Å
514S88.1Confident89.7Confident50 Ų5062.2 Ų62.235%0.3532%0.316SS..Hα-helixtrans-65-40.7173.1-60.40000111.9G510 F511 R517 V518G510-S514 WeakPolarHBondContact O-CB 3.31Å; G510-S514 PolarHBondContact O-N 2.95Å; G510-S514 VanDerWaalsContact O-N 3.1Å; G510-S514 PolarHBondContact O-OG 3.41Å; F511-S514 WeakPolarHBondContact O-CB 3.33Å; F511-S514 PolarHBondContact O-N 3.01Å; F511-S514 VanDerWaalsContact O-N 3.15Å; S514-R517 PolarHBondContact O-N 3.49Å; S514-V518 WeakPolarHBondContact O-CG2 3.41Å; S514-V518 PolarHBondContact O-N 2.93Å; S514-V518 VanDerWaalsContact O-N 3.07Å
515L86.5Confident89.7Confident30 Ų3065.3 Ų65.316%0.15732%0.324CS..Hα-helixtrans-62.5-42.4172.8176.261.8000111.8F511 L512 R517 K519 L790 I793F511-L515 PolarHBondContact O-N 2.97Å; L512-L515 WeakPolarHBondContact O-CB 3.43Å; L512-L515 PolarHBondContact O-N 3.26Å; L515-R517 VanDerWaalsContact C-N 3.35Å; L515-R517 PolarHBondContact O-N 2.89Å; L515-K519 PolarHBondContact O-N 2.57Å; L515-K519 VanDerWaalsContact O-N 3.08Å; L515-L790 HydrophobicContact CD2-CB 4.06Å; L515-I793 HydrophobicContact CD1-CD1 3.69Å; L515-I793 HydrophobicContact CD2-CD1 4.39Å
516R88.7Confident89.9Confident116 Ų11664 Ų6444%0.43832%0.32SS..Hα-helixtrans-59.1-45.4174-168.9-173.873.489.3-1.9111.3L512 E513 K519 Q520 L786L512-R516 PolarHBondContact O-N 3.29Å; E513-R516 WeakPolarHBondContact O-CB 3.27Å; E513-R516 PolarHBondContact O-N 3.47Å; E513-R516 IonicContact OE1-CZ 3.55Å; E513-R516 IonicContact OE1-NE 2.75Å; E513-R516 PolarHBondContact OE1-NE 3.49Å; E513-R516 IonicContact OE1-NH2 3.51Å; E513-R516 PolarHBondContact OE1-NH2 3.14Å; E513-R516 IonicContact OE2-CZ 3.02Å; E513-R516 IonicContact OE2-NE 2.68Å; E513-R516 PolarHBondContact OE2-NE 3.25Å; E513-R516 IonicContact OE2-NH2 3.4Å; R516-K519 PolarHBondContact O-N 3.29Å; R516-Q520 PolarHBondContact O-N 2.78Å; R516-L786 HydrophobicContact CB-CD1 4.03Å; R516-L786 HydrophobicContact CB-CD2 3.79Å; R516-L786 HydrophobicContact CG-CD1 4.4Å; R516-L786 HydrophobicContact CG-CD2 4.2Å
517R90.4Very high90.2Very high122 Ų12264.9 Ų64.946%0.4633%0.325SS..Hα-helixtrans-62.4-49.8-179.4-161.2-172.561.9-113.1-1.2111.7E513 S514 L515 K519 Q520 E521E513-R517 WeakPolarHBondContact O-CB 3.29Å; E513-R517 PolarHBondContact O-N 3.03Å; S514-R517 PolarHBondContact O-N 3.49Å; L515-R517 VanDerWaalsContact C-N 3.35Å; L515-R517 PolarHBondContact O-N 2.89Å; R517-K519 VanDerWaalsContact C-N 3.33Å; R517-K519 PolarHBondContact O-N 3.01Å; R517-Q520 CarbonylContact O-C 3.59Å; R517-Q520 WeakPolarHBondContact O-CA 3.41Å; R517-Q520 PolarHBondContact O-N 3.28Å; R517-E521 WeakPolarHBondContact CD-OE1 3.3Å; R517-E521 HydrophobicContact CG-CG 4.5Å; R517-E521 VanDerWaalsContact CG-OE1 3.28Å; R517-E521 WeakPolarHBondContact CG-OE1 3.48Å; R517-E521 IonicContact NE-OE1 3.72Å; R517-E521 PolarHBondContact NE-OE1 3.34Å; R517-E521 WeakPolarHBondContact O-CG 3.45Å; R517-E521 PolarHBondContact O-N 2.72Å
518V87.1Confident90.6Very high65 Ų6564.5 Ų64.539%0.39432%0.32SS..Hα-helixtrans-60.6-40.1177.81740000112S514 Q520 E521 N522S514-V518 WeakPolarHBondContact O-CG2 3.41Å; S514-V518 PolarHBondContact O-N 2.93Å; S514-V518 VanDerWaalsContact O-N 3.07Å; V518-Q520 VanDerWaalsContact C-N 3.33Å; V518-Q520 PolarHBondContact O-N 3.28Å; V518-E521 WeakPolarHBondContact CA-OE2 3.18Å; V518-E521 PolarHBondContact O-N 3.04Å; V518-N522 VanDerWaalsContact O-CG 3.27Å; V518-N522 PolarHBondContact O-N 3.22Å; V518-N522 PolarHBondContact O-ND2 3.49Å
519K89Confident90.8Very high28 Ų2863.5 Ų63.512%0.12231%0.31CS..Hα-helixtrans-61.8-40.9173.5-177.559.259.6177.10111.5L515 R516 R517 K523 P639 A641 N665L515-K519 PolarHBondContact O-N 2.57Å; L515-K519 VanDerWaalsContact O-N 3.08Å; R516-K519 PolarHBondContact O-N 3.29Å; R517-K519 VanDerWaalsContact C-N 3.33Å; R517-K519 PolarHBondContact O-N 3.01Å; K519-K523 HydrophobicContact CD-CD 4.33Å; K519-K523 HydrophobicContact CG-CD 4.24Å; K519-K523 VanDerWaalsContact O-CG 3.3Å; K519-K523 WeakPolarHBondContact O-CG 3.49Å; K519-K523 PolarHBondContact O-N 3.04Å; K519-P639 PolarHBondContact NZ-O 3.28Å; K519-A641 WeakPolarHBondContact CE-O 3.25Å; K519-A641 PolarHBondContact NZ-O 2.71Å; K519-N665 PolarHBondContact NZ-O 2.95Å
520Q92.4Very high91.1Very high57 Ų5758.1 Ų58.127%0.26628%0.277SS..Hα-helixtrans-70.1-40.5178.2-165.561.250.600112.5R516 R517 V518 N522 K523 M524 P540R516-Q520 PolarHBondContact O-N 2.78Å; R517-Q520 CarbonylContact O-C 3.59Å; R517-Q520 WeakPolarHBondContact O-CA 3.41Å; R517-Q520 PolarHBondContact O-N 3.28Å; V518-Q520 VanDerWaalsContact C-N 3.33Å; V518-Q520 PolarHBondContact O-N 3.28Å; Q520-N522 PolarHBondContact O-N 2.88Å; Q520-K523 PolarHBondContact O-N 2.89Å; Q520-M524 WeakPolarHBondContact O-CG 3.48Å; Q520-M524 PolarHBondContact O-N 3.16Å; Q520-P540 PolarHBondContact NE2-O 2.77Å
521E92.1Very high91.4Very high87 Ų8757.7 Ų57.741%0.40727%0.269SS..Hα-helixtrans-57.8-46.3173.7-70.7160.3-175.600110.9R517 V518 K523 M524 R525R517-E521 WeakPolarHBondContact CD-OE1 3.3Å; R517-E521 HydrophobicContact CG-CG 4.5Å; R517-E521 VanDerWaalsContact CG-OE1 3.28Å; R517-E521 WeakPolarHBondContact CG-OE1 3.48Å; R517-E521 IonicContact NE-OE1 3.72Å; R517-E521 PolarHBondContact NE-OE1 3.34Å; R517-E521 WeakPolarHBondContact O-CG 3.45Å; R517-E521 PolarHBondContact O-N 2.72Å; V518-E521 WeakPolarHBondContact CA-OE2 3.18Å; V518-E521 PolarHBondContact O-N 3.04Å; E521-K523 VanDerWaalsContact C-N 3.35Å; E521-K523 PolarHBondContact O-N 3.03Å; E521-M524 PolarHBondContact O-N 2.99Å; E521-R525 PolarHBondContact O-N 3.5Å; E521-R525 VanDerWaalsContact O-N 3.13Å
522N91.1Very high91.6Very high24 Ų2458.7 Ų58.713%0.12828%0.278CS..Hα-helixtrans-61.9-40.2174.3-69.7-16.1000112.6V518 Q520 R525 A526 P639 A640V518-N522 VanDerWaalsContact O-CG 3.27Å; V518-N522 PolarHBondContact O-N 3.22Å; V518-N522 PolarHBondContact O-ND2 3.49Å; Q520-N522 PolarHBondContact O-N 2.88Å; N522-R525 PolarHBondContact O-N 2.75Å; N522-R525 PolarHBondContact OD1-NH2 3.11Å; N522-A526 PolarHBondContact O-N 2.85Å; N522-P639 HydrophobicContact CB-CB 4.25Å; N522-P639 WeakPolarHBondContact ND2-CB 3.41Å; N522-P639 PolarHBondContact ND2-O 2.84Å; N522-A640 HydrophobicContact CB-CB 4.46Å
523K95.5Very high91.7Very high6 Ų662.1 Ų62.13%0.02630%0.299CS..Hα-helixtrans-67.2-38.2176.8-74.5173.965.9176.20112.7K519 Q520 E521 A526 V527 P540 S542 F544 A640 D642K519-K523 HydrophobicContact CD-CD 4.33Å; K519-K523 HydrophobicContact CG-CD 4.24Å; K519-K523 VanDerWaalsContact O-CG 3.3Å; K519-K523 WeakPolarHBondContact O-CG 3.49Å; K519-K523 PolarHBondContact O-N 3.04Å; Q520-K523 PolarHBondContact O-N 2.89Å; E521-K523 VanDerWaalsContact C-N 3.35Å; E521-K523 PolarHBondContact O-N 3.03Å; K523-A526 PolarHBondContact O-N 3.09Å; K523-V527 WeakPolarHBondContact O-CG2 3.39Å; K523-V527 PolarHBondContact O-N 3.15Å; K523-P540 VanDerWaalsContact CE-O 3.26Å; K523-P540 WeakPolarHBondContact CE-O 3.37Å; K523-P540 PolarHBondContact NZ-O 2.75Å; K523-S542 PolarHBondContact NZ-O 2.9Å; K523-F544 HydrophobicContact CB-CE2 4.17Å; K523-F544 HydrophobicContact CB-CZ 4.43Å; K523-F544 HydrophobicContact CD-CD2 4.41Å; K523-F544 HydrophobicContact CD-CG 4.45Å; K523-F544 HydrophobicContact CG-CD2 3.91Å; K523-F544 HydrophobicContact CG-CE2 3.95Å; K523-F544 HydrophobicContact CG-CG 4.43Å; K523-A640 WeakPolarHBondContact CD-O 3.24Å; K523-A640 HydrophobicContact CG-CB 4.12Å; K523-A640 WeakPolarHBondContact CG-O 3.42Å; K523-D642 IonicContact NZ-OD1 3.4Å; K523-D642 IonicContact NZ-OD2 2.87Å; K523-D642 PolarHBondContact NZ-OD2 3.4Å
524M96.4Very high91.7Very high96 Ų9660.9 Ų60.947%0.47329%0.291SS..Hα-helixtrans-61.7-45.6173.7-68.1-52.8-58.300111.5Q520 E521 A526 V527 Q528 P540Q520-M524 WeakPolarHBondContact O-CG 3.48Å; Q520-M524 PolarHBondContact O-N 3.16Å; E521-M524 PolarHBondContact O-N 2.99Å; M524-A526 VanDerWaalsContact C-N 3.32Å; M524-A526 PolarHBondContact O-N 2.97Å; M524-V527 PolarHBondContact O-N 3.27Å; M524-Q528 PolarHBondContact O-N 2.93Å; M524-P540 HydrophobicContact CE-CB 4.5Å; M524-P540 HydrophobicContact CE-CG 4.45Å; M524-P540 HydrophobicContact SD-CB 3.42Å; M524-P540 WeakPolarHBondContact SD-CB 3.16Å; M524-P540 HydrophobicContact SD-CG 3.78Å
525R91.5Very high91.8Very high155 Ų15566.1 Ų66.159%0.58531%0.308SS*.Hα-helixtrans-59.9-40.5175-69.3-168.8-72174.9-2.6112.3E521 N522 W529E521-R525 PolarHBondContact O-N 3.5Å; E521-R525 VanDerWaalsContact O-N 3.13Å; N522-R525 PolarHBondContact O-N 2.75Å; N522-R525 PolarHBondContact OD1-NH2 3.11Å; R525-W529 WeakPolarHBondContact O-CB 3.47Å; R525-W529 PolarHBondContact O-N 3.42Å; R525-W529 VanDerWaalsContact O-N 3.09Å
526A93.8Very high91.8Very high5 Ų566.7 Ų66.74%0.04131%0.31CS..Hα-helixtrans-68.8-36.9175.200000113.4N522 K523 M524 L530 F544 A640N522-A526 PolarHBondContact O-N 2.85Å; K523-A526 PolarHBondContact O-N 3.09Å; M524-A526 VanDerWaalsContact C-N 3.32Å; M524-A526 PolarHBondContact O-N 2.97Å; A526-L530 WeakPolarHBondContact O-CB 3.4Å; A526-L530 WeakPolarHBondContact O-CD1 3.4Å; A526-L530 WeakPolarHBondContact O-CG 3.36Å; A526-L530 PolarHBondContact O-N 3.06Å; A526-F544 HydrophobicContact CB-CE2 4.21Å; A526-A640 HydrophobicContact CB-CB 3.53Å
527V95.9Very high91.8Very high21 Ų2169.3 Ų69.313%0.12733%0.328CS..Hα-helixtrans-64.3-45.3173.8169.90000111.3K523 M524 W529 L530 A531 V538 P540 F544K523-V527 WeakPolarHBondContact O-CG2 3.39Å; K523-V527 PolarHBondContact O-N 3.15Å; M524-V527 PolarHBondContact O-N 3.27Å; V527-W529 PolarHBondContact O-N 3.2Å; V527-L530 PolarHBondContact O-N 3.27Å; V527-A531 WeakPolarHBondContact O-CB 3.44Å; V527-A531 PolarHBondContact O-N 3.44Å; V527-V538 HydrophobicContact CG1-CB 4.43Å; V527-V538 WeakPolarHBondContact CG1-O 3.23Å; V527-V538 HydrophobicContact CG2-CB 4.11Å; V527-V538 HydrophobicContact CG2-CG1 4.13Å; V527-V538 WeakPolarHBondContact CG2-O 3.43Å; V527-P540 HydrophobicContact CG2-CB 3.91Å; V527-F544 HydrophobicContact CG2-CZ 3.68Å
528Q94.5Very high92Very high111 Ų11163.9 Ų63.952%0.51931%0.308SS..Hα-helixtrans-57.1-52.3176.8-17657.650.400110.4M524 L530 A531 D532M524-Q528 PolarHBondContact O-N 2.93Å; Q528-L530 VanDerWaalsContact C-N 3.33Å; Q528-L530 PolarHBondContact O-N 2.99Å; Q528-A531 PolarHBondContact O-N 2.91Å; Q528-A531 VanDerWaalsContact O-N 3.15Å; Q528-D532 VanDerWaalsContact NE2-CG 3.31Å; Q528-D532 PolarHBondContact NE2-OD1 3.17Å; Q528-D532 PolarHBondContact NE2-OD2 3.35Å; Q528-D532 PolarHBondContact O-N 3.35Å; Q528-D532 VanDerWaalsContact O-OD2 3.12Å
529W92.7Very high92.3Very high56 Ų5662.7 Ų62.721%0.21230%0.299CS..Hα-helixtrans-59.6-37.7177.1179.282000113.6R525 V527 D532 V533 Y534 L626 L633 K636 I637R525-W529 WeakPolarHBondContact O-CB 3.47Å; R525-W529 PolarHBondContact O-N 3.42Å; R525-W529 VanDerWaalsContact O-N 3.09Å; V527-W529 PolarHBondContact O-N 3.2Å; W529-D532 PolarHBondContact O-N 2.8Å; W529-V533 HydrophobicContact CD2-CG2 4.29Å; W529-V533 HydrophobicContact CZ2-CB 4.33Å; W529-V533 HydrophobicContact CZ2-CG1 4.36Å; W529-V533 HydrophobicContact CZ2-CG2 3.89Å; W529-V533 WeakPolarHBondContact O-CB 3.44Å; W529-V533 WeakPolarHBondContact O-CG2 3.37Å; W529-V533 PolarHBondContact O-N 2.65Å; W529-Y534 AromaticContact CH2-CE2 3.6Å; W529-Y534 HydrophobicContact CH2-CE2 3.6Å; W529-Y534 HydrophobicContact CZ2-CE2 4.47Å; W529-Y534 AromaticContact CZ3-CE2 3.76Å; W529-Y534 HydrophobicContact CZ3-CE2 3.76Å; W529-L626 HydrophobicContact CZ3-CD2 4.25Å; W529-L633 HydrophobicContact CH2-CD1 3.13Å; W529-L633 HydrophobicContact CH2-CD2 4.45Å; W529-L633 HydrophobicContact CH2-CG 4.43Å; W529-L633 HydrophobicContact CZ2-CD1 3.57Å; W529-L633 HydrophobicContact CZ3-CD1 3.7Å; W529-K636 HydrophobicContact CD2-CD 4.45Å; W529-K636 HydrophobicContact CG-CD 4.3Å; W529-I637 HydrophobicContact CE3-CD1 3.84Å; W529-I637 HydrophobicContact CZ3-CD1 3.71Å
530L94.5Very high92.4Very high0 Ų063 Ų630%030%0.304CS..Hα-helixtrans-67.3-40.4175.4-75.9167.4000112.3A526 V527 Q528 Y534 V538 M585 I624 L626A526-L530 WeakPolarHBondContact O-CB 3.4Å; A526-L530 WeakPolarHBondContact O-CD1 3.4Å; A526-L530 WeakPolarHBondContact O-CG 3.36Å; A526-L530 PolarHBondContact O-N 3.06Å; V527-L530 PolarHBondContact O-N 3.27Å; Q528-L530 VanDerWaalsContact C-N 3.33Å; Q528-L530 PolarHBondContact O-N 2.99Å; L530-Y534 HydrophobicContact CD2-CD2 3.72Å; L530-Y534 HydrophobicContact CD2-CE2 3.87Å; L530-Y534 WeakPolarHBondContact O-CB 3.17Å; L530-Y534 PolarHBondContact O-N 3.1Å; L530-V538 HydrophobicContact CB-CG2 4.32Å; L530-V538 HydrophobicContact CD1-CG1 4.49Å; L530-V538 HydrophobicContact CD1-CG2 4.13Å; L530-M585 HydrophobicContact CD1-CE 3.55Å; L530-M585 HydrophobicContact CD1-SD 4.08Å; L530-I624 HydrophobicContact CD1-CD1 4.33Å; L530-I624 HydrophobicContact CD2-CD1 4.43Å; L530-I624 HydrophobicContact CD2-CG2 4.34Å; L530-L626 HydrophobicContact CD2-CD2 3.89Å
531A93.9Very high92.4Very high32 Ų3263.1 Ų63.126%0.26431%0.311SS..Hα-helixtrans-67.3-36.9175.200000111.5V527 Q528 K535V527-A531 WeakPolarHBondContact O-CB 3.44Å; V527-A531 PolarHBondContact O-N 3.44Å; Q528-A531 PolarHBondContact O-N 2.91Å; Q528-A531 VanDerWaalsContact O-N 3.15Å; A531-K535 VanDerWaalsContact O-CA 3.31Å; A531-K535 WeakPolarHBondContact O-CA 3.21Å; A531-K535 WeakPolarHBondContact O-CD 3.42Å; A531-K535 PolarHBondContact O-N 2.62Å
532D92Very high92.4Very high85 Ų8559 Ų5946%0.45529%0.292SS..Hα-helixtrans-71.5-41.5177.9-70.6-38.5000112.8Q528 W529 K535Q528-D532 VanDerWaalsContact NE2-CG 3.31Å; Q528-D532 PolarHBondContact NE2-OD1 3.17Å; Q528-D532 PolarHBondContact NE2-OD2 3.35Å; Q528-D532 PolarHBondContact O-N 3.35Å; Q528-D532 VanDerWaalsContact O-OD2 3.12Å; W529-D532 PolarHBondContact O-N 2.8Å; D532-K535 WeakPolarHBondContact O-CE 3.5Å; D532-K535 PolarHBondContact O-NZ 2.87Å
533V91.1Very high92.5Very high78 Ų7857.9 Ų57.947%0.47329%0.286SS..Hα-helixtrans-85.6-49.7-176.8175.30000113W529W529-V533 HydrophobicContact CD2-CG2 4.29Å; W529-V533 HydrophobicContact CZ2-CB 4.33Å; W529-V533 HydrophobicContact CZ2-CG1 4.36Å; W529-V533 HydrophobicContact CZ2-CG2 3.89Å; W529-V533 WeakPolarHBondContact O-CB 3.44Å; W529-V533 WeakPolarHBondContact O-CG2 3.37Å; W529-V533 PolarHBondContact O-N 2.65Å
534Y88.8Confident92.5Very high54 Ų5457.6 Ų57.621%0.21229%0.285CS..Hα-helixtrans-99.9-11.1-171.8-61-88.2000114.1W529 L530 I536 Y625 L626 E627W529-Y534 AromaticContact CH2-CE2 3.6Å; W529-Y534 HydrophobicContact CH2-CE2 3.6Å; W529-Y534 HydrophobicContact CZ2-CE2 4.47Å; W529-Y534 AromaticContact CZ3-CE2 3.76Å; W529-Y534 HydrophobicContact CZ3-CE2 3.76Å; L530-Y534 HydrophobicContact CD2-CD2 3.72Å; L530-Y534 HydrophobicContact CD2-CE2 3.87Å; L530-Y534 WeakPolarHBondContact O-CB 3.17Å; L530-Y534 PolarHBondContact O-N 3.1Å; Y534-I536 PolarHBondContact O-N 2.8Å; Y534-Y625 WeakPolarHBondContact CE1-O 3.42Å; Y534-L626 HydrophobicContact CE2-CD2 4.28Å; Y534-E627 HydrophobicContact CE1-CB 4.18Å; Y534-E627 PolarHBondContact OH-N 3.45Å
535K90Very high92.5Very high161 Ų16153 Ų5370%0.726%0.262SS*.  trans56.628.9-171.5-48.5-42.1-164.9-171.40113.5A531 D532A531-K535 VanDerWaalsContact O-CA 3.31Å; A531-K535 WeakPolarHBondContact O-CA 3.21Å; A531-K535 WeakPolarHBondContact O-CD 3.42Å; A531-K535 PolarHBondContact O-N 2.62Å; D532-K535 WeakPolarHBondContact O-CE 3.5Å; D532-K535 PolarHBondContact O-NZ 2.87Å
536I86.5Confident92.9Very high41 Ų4145.7 Ų45.721%0.2124%0.235CC..  trans-102.7123.6175.8-61.8174.3000108.8Y534 V538 I624Y534-I536 PolarHBondContact O-N 2.8Å; I536-V538 HydrophobicContact CG2-CG2 4.08Å; I536-I624 HydrophobicContact CD1-CG1 4.31Å; I536-I624 HydrophobicContact CD1-CG2 4.47Å; I536-I624 HydrophobicContact CG2-CD1 4.24Å; I536-I624 HydrophobicContact CG2-CG1 4.49Å
537E89.5Confident93.1Very high172 Ų17245.5 Ų45.580%0.80423%0.233SC*.  trans-74.2131169.1-68.2-171.7170.100111.2
538V93.3Very high93.2Very high7 Ų744.7 Ų44.74%0.04223%0.228CC..  trans-128.4117.3-173.3-1790000108.9V527 L530 I536 P540 F544 S583 M585 I624V527-V538 HydrophobicContact CG1-CB 4.43Å; V527-V538 WeakPolarHBondContact CG1-O 3.23Å; V527-V538 HydrophobicContact CG2-CB 4.11Å; V527-V538 HydrophobicContact CG2-CG1 4.13Å; V527-V538 WeakPolarHBondContact CG2-O 3.43Å; L530-V538 HydrophobicContact CB-CG2 4.32Å; L530-V538 HydrophobicContact CD1-CG1 4.49Å; L530-V538 HydrophobicContact CD1-CG2 4.13Å; I536-V538 HydrophobicContact CG2-CG2 4.08Å; V538-P540 WeakPolarHBondContact O-CD 3.43Å; V538-P540 VanDerWaalsContact O-N 3.1Å; V538-F544 HydrophobicContact CG1-CE1 3.88Å; V538-F544 HydrophobicContact CG1-CZ 3.91Å; V538-S583 WeakPolarHBondContact CG1-OG 3.46Å; V538-M585 HydrophobicContact CG1-CE 4.34Å; V538-I624 HydrophobicContact CG2-CD1 3.56Å
539N92.8Very high93.2Very high41 Ų4140.7 Ų40.722%0.21921%0.209CC..  trans-60.6112.7178.1177.1-22.5000109.7S541 S542 D619N539-S541 PolarHBondContact O-N 2.89Å; N539-S541 VanDerWaalsContact O-N 3.15Å; N539-S541 WeakPolarHBondContact OD1-CA 3.44Å; N539-S541 VanDerWaalsContact OD1-CB 3.3Å; N539-S541 WeakPolarHBondContact OD1-CB 3.49Å; N539-S541 PolarHBondContact OD1-N 3.43Å; N539-S542 VanDerWaalsContact O-CB 3.24Å; N539-S542 WeakPolarHBondContact O-CB 3.36Å; N539-S542 PolarHBondContact O-N 3.33Å; N539-S542 PolarHBondContact O-OG 3.11Å; N539-S542 PolarHBondContact OD1-N 3.06Å; N539-D619 HydrophobicContact CB-CB 4.42Å; N539-D619 PolarHBondContact ND2-OD2 3.21Å
540P92.7Very high93.2Very high35 Ų3543 Ų4323%0.22722%0.218CC..THydrogen-bonded Turntrans-69.8-13.6-175.427.9-35.1000113.4Q520 K523 M524 V527 V538Q520-P540 PolarHBondContact NE2-O 2.77Å; K523-P540 VanDerWaalsContact CE-O 3.26Å; K523-P540 WeakPolarHBondContact CE-O 3.37Å; K523-P540 PolarHBondContact NZ-O 2.75Å; M524-P540 HydrophobicContact CE-CB 4.5Å; M524-P540 HydrophobicContact CE-CG 4.45Å; M524-P540 HydrophobicContact SD-CB 3.42Å; M524-P540 WeakPolarHBondContact SD-CB 3.16Å; M524-P540 HydrophobicContact SD-CG 3.78Å; V527-P540 HydrophobicContact CG2-CB 3.91Å; V538-P540 WeakPolarHBondContact O-CD 3.43Å; V538-P540 VanDerWaalsContact O-N 3.1Å
541S91Very high93.2Very high59 Ų5943 Ų4341%0.41322%0.218SC..THydrogen-bonded Turntrans-91.9-2.9172.2-57.50000112.4N539 R775N539-S541 PolarHBondContact O-N 2.89Å; N539-S541 VanDerWaalsContact O-N 3.15Å; N539-S541 WeakPolarHBondContact OD1-CA 3.44Å; N539-S541 VanDerWaalsContact OD1-CB 3.3Å; N539-S541 WeakPolarHBondContact OD1-CB 3.49Å; N539-S541 PolarHBondContact OD1-N 3.43Å; S541-R775 PolarHBondContact O-NH1 3.16Å; S541-R775 PolarHBondContact O-NH2 3.49Å
542S93.1Very high93.2Very high0 Ų043.7 Ų43.70%022%0.215CC..SBendtrans-66.8161.3170.682.90000110.7K523 N539 P581 S583K523-S542 PolarHBondContact NZ-O 2.9Å; N539-S542 VanDerWaalsContact O-CB 3.24Å; N539-S542 WeakPolarHBondContact O-CB 3.36Å; N539-S542 PolarHBondContact O-N 3.33Å; N539-S542 PolarHBondContact O-OG 3.11Å; N539-S542 PolarHBondContact OD1-N 3.06Å; S542-P581 CarbonylContact C-O 3.17Å; S542-P581 WeakPolarHBondContact CA-O 3.38Å; S542-S583 VanDerWaalsContact OG-CB 3.29Å; S542-S583 WeakPolarHBondContact OG-CB 3.45Å; S542-S583 PolarHBondContact OG-N 3.11Å; S542-S583 PolarHBondContact OG-OG 3.12Å
543M93Very high93.2Very high0 Ų041.3 Ų41.30%020%0.201CC..EExtended strand (participates in β ladder)trans-76.4123.1168.2171.9-174.8-69.900109.5D545 V580 P581 R582 S583 D642 L643 L767 H771 W785M543-D545 PolarHBondContact O-N 3.36Å; M543-V580 HydrophobicContact CB-CG1 4.48Å; M543-V580 HydrophobicContact CE-CG1 4.43Å; M543-P581 PolarHBondContact N-O 3.34Å; M543-R582 HydrophobicContact CB-CG 4.27Å; M543-R582 WeakPolarHBondContact O-CA 3.45Å; M543-R582 HydrophobicContact SD-CG 4.44Å; M543-S583 PolarHBondContact O-N 3.26Å; M543-D642 WeakPolarHBondContact CA-OD2 3.36Å; M543-D642 HydrophobicContact CG-CB 4.16Å; M543-L643 HydrophobicContact SD-CD2 4.07Å; M543-L767 HydrophobicContact CE-CD2 3.4Å; M543-L767 HydrophobicContact SD-CD2 3.71Å; M543-H771 HydrophobicContact CE-CB 3.53Å; M543-H771 WeakPolarHBondContact CE-ND1 3.46Å; M543-W785 HydrophobicContact CE-CH2 3.85Å; M543-W785 HydrophobicContact CE-CZ3 4.03Å
544F96.2Very high93.2Very high1 Ų139.4 Ų39.40%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-85.4108.4177.2-80.223.9000109.4K523 A526 V527 V538 I546 M585 A640 D642 L643K523-F544 HydrophobicContact CB-CE2 4.17Å; K523-F544 HydrophobicContact CB-CZ 4.43Å; K523-F544 HydrophobicContact CD-CD2 4.41Å; K523-F544 HydrophobicContact CD-CG 4.45Å; K523-F544 HydrophobicContact CG-CD2 3.91Å; K523-F544 HydrophobicContact CG-CE2 3.95Å; K523-F544 HydrophobicContact CG-CG 4.43Å; A526-F544 HydrophobicContact CB-CE2 4.21Å; V527-F544 HydrophobicContact CG2-CZ 3.68Å; V538-F544 HydrophobicContact CG1-CE1 3.88Å; V538-F544 HydrophobicContact CG1-CZ 3.91Å; F544-I546 HydrophobicContact CB-CD1 4.34Å; F544-I546 HydrophobicContact CB-CG1 4.46Å; F544-M585 HydrophobicContact CD1-CE 4.14Å; F544-M585 HydrophobicContact CD2-CE 3.72Å; F544-M585 HydrophobicContact CE1-CE 4.15Å; F544-M585 HydrophobicContact CE2-CE 3.73Å; F544-M585 HydrophobicContact CG-CE 3.93Å; F544-M585 HydrophobicContact CZ-CE 3.94Å; F544-A640 HydrophobicContact CD2-CB 4.2Å; F544-A640 WeakPolarHBondContact CD2-O 3.34Å; F544-A640 HydrophobicContact CE2-CB 4.41Å; F544-D642 PolarHBondContact N-OD2 3.01Å; F544-D642 PolarHBondContact O-N 3.4Å; F544-D642 VanDerWaalsContact O-N 3.08Å; F544-L643 PolarHBondContact O-N 3.21Å
545D96.5Very high93.4Very high0 Ų037.6 Ų37.60%018%0.179CC..EExtended strand (participates in β ladder)trans-116.498.9-166.3-175.7-1.4000109.8M543 R582 S583 V584 M585 L643 Q645M543-D545 PolarHBondContact O-N 3.36Å; D545-R582 WeakPolarHBondContact OD2-CD 3.37Å; D545-R582 IonicContact OD2-CZ 2.72Å; D545-R582 IonicContact OD2-NE 2.93Å; D545-R582 IonicContact OD2-NH1 3.25Å; D545-R582 PolarHBondContact OD2-NH1 2.79Å; D545-S583 PolarHBondContact N-O 2.93Å; D545-V584 HydrophobicContact CB-CG2 4.17Å; D545-V584 CarbonylContact O-C 3.49Å; D545-V584 VanDerWaalsContact O-CA 3.29Å; D545-V584 WeakPolarHBondContact O-CA 3.38Å; D545-M585 PolarHBondContact O-N 3.22Å; D545-L643 HydrophobicContact CB-CD2 4.49Å; D545-Q645 WeakPolarHBondContact OD1-CG 3.27Å; D545-Q645 PolarHBondContact OD1-NE2 3.18Å
546I98.3Very high93.6Very high1 Ų130.1 Ų30.11%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-119.9130.2-154.6-50.3-158000112.8F544 V548 M585 I637 A641 L643 Q645 F662F544-I546 HydrophobicContact CB-CD1 4.34Å; F544-I546 HydrophobicContact CB-CG1 4.46Å; I546-V548 HydrophobicContact CG2-CG1 3.91Å; I546-V548 HydrophobicContact CG2-CG2 4.12Å; I546-M585 CarbonylContact C-O 3.6Å; I546-M585 WeakPolarHBondContact CA-O 3.26Å; I546-M585 HydrophobicContact CD1-CB 4.34Å; I546-M585 HydrophobicContact CD1-CG 4.45Å; I546-M585 HydrophobicContact CD1-SD 3.73Å; I546-M585 HydrophobicContact CG1-CB 4.15Å; I546-M585 HydrophobicContact CG1-CG 4.47Å; I546-M585 HydrophobicContact CG1-SD 4.35Å; I546-M585 HydrophobicContact CG2-CB 4.35Å; I546-I637 HydrophobicContact CD1-CG2 3.82Å; I546-I637 HydrophobicContact CG2-CG2 3.81Å; I546-A641 HydrophobicContact CB-CB 4.42Å; I546-A641 HydrophobicContact CD1-CB 3.84Å; I546-A641 HydrophobicContact CG1-CB 4.08Å; I546-L643 PolarHBondContact N-O 2.92Å; I546-Q645 PolarHBondContact O-N 3.23Å; I546-F662 HydrophobicContact CB-CE1 4.47Å; I546-F662 HydrophobicContact CB-CZ 4.31Å; I546-F662 HydrophobicContact CG2-CE1 4.44Å; I546-F662 HydrophobicContact CG2-CZ 3.97Å
547Q98.6Very high94.1Very high0 Ų028.2 Ų28.20%014%0.137CC..EExtended strand (participates in β ladder)trans-128.384.5175.4-165.5179.112.500111K555 N560 M585 I586 G587 Q645Q547-K555 PolarHBondContact NE2-O 3.27Å; Q547-K555 VanDerWaalsContact NE2-O 3.11Å; Q547-N560 PolarHBondContact OE1-ND2 2.92Å; Q547-M585 PolarHBondContact N-O 3.3Å; Q547-I586 HydrophobicContact CB-CG1 4.42Å; Q547-I586 HydrophobicContact CB-CG2 4.43Å; Q547-I586 WeakPolarHBondContact O-CA 3.27Å; Q547-G587 PolarHBondContact O-N 2.88Å; Q547-Q645 HydrophobicContact CB-CB 3.66Å; Q547-Q645 HydrophobicContact CB-CG 4.16Å; Q547-Q645 HydrophobicContact CG-CB 3.79Å
548V97.7Very high94.4Very high5 Ų520.1 Ų20.13%0.0310%0.099CC..EExtended strand (participates in β ladder)trans-109.3107.2178.2-68.20000112.6I546 G587 L626 Y629 F662I546-V548 HydrophobicContact CG2-CG1 3.91Å; I546-V548 HydrophobicContact CG2-CG2 4.12Å; V548-G587 VanDerWaalsContact CA-O 3.31Å; V548-G587 WeakPolarHBondContact CA-O 3.16Å; V548-L626 HydrophobicContact CG1-CD1 3.72Å; V548-Y629 HydrophobicContact CB-CD1 4.37Å; V548-Y629 HydrophobicContact CB-CD2 3.88Å; V548-Y629 HydrophobicContact CB-CE1 4.04Å; V548-Y629 HydrophobicContact CB-CE2 3.52Å; V548-Y629 HydrophobicContact CB-CG 4.3Å; V548-Y629 HydrophobicContact CG1-CD2 4.07Å; V548-Y629 HydrophobicContact CG1-CE2 4.09Å; V548-Y629 HydrophobicContact CG2-CD2 4.47Å; V548-Y629 HydrophobicContact CG2-CE2 3.68Å; V548-F662 HydrophobicContact CG2-CE2 4.1Å; V548-F662 HydrophobicContact CG2-CZ 3.8Å
549K94.9Very high94.4Very high27 Ų2719.8 Ų19.812%0.11710%0.097CC..SBendtrans-169.7158177.350.7176.369.2-171.10109.8I551 K555 Q557 G587 Q646 E653K549-I551 PolarHBondContact O-N 2.88Å; K549-K555 HydrophobicContact CD-CB 3.95Å; K549-K555 HydrophobicContact CD-CD 3.91Å; K549-K555 HydrophobicContact CD-CG 4.03Å; K549-K555 HydrophobicContact CG-CD 4.28Å; K549-Q557 PolarHBondContact O-NE2 2.77Å; K549-G587 PolarHBondContact N-O 2.94Å; K549-G587 VanDerWaalsContact O-O 3.11Å; K549-Q646 VanDerWaalsContact CE-OE1 3.25Å; K549-E653 IonicContact NZ-OE2 3.69Å; K549-E653 PolarHBondContact NZ-OE2 2.81Å
550R92.9Very high94.5Very high105 Ų10517.9 Ų17.940%0.3969%0.087SC..  trans-41.9134.9175.2-170.4-163.6-75.3-175.70110.3H552 K555 Q557 K589R550-H552 PolarHBondContact O-N 3.09Å; R550-K555 WeakPolarHBondContact O-CD 3.47Å; R550-Q557 PolarHBondContact O-NE2 3.01Å; R550-Q557 VanDerWaalsContact O-NE2 3.11Å; R550-K589 VanDerWaalsContact CG-O 3.31Å; R550-K589 WeakPolarHBondContact CG-O 3.45Å
551I95Very high94.7Very high0 Ų016.2 Ų16.20%08%0.076CC..  trans-74.9125.3-179.6-48.7-59.6000109K549 Q557 G588 K589 A590 A597 I600 I601K549-I551 PolarHBondContact O-N 2.88Å; I551-Q557 HydrophobicContact CD1-CG 3.94Å; I551-G588 WeakPolarHBondContact CG1-O 3.27Å; I551-K589 PolarHBondContact N-O 3.09Å; I551-A590 HydrophobicContact CB-CB 4.26Å; I551-A597 HydrophobicContact CB-CB 4.27Å; I551-A597 HydrophobicContact CG2-CB 4.02Å; I551-I600 HydrophobicContact CG2-CB 4.01Å; I551-I600 HydrophobicContact CG2-CG2 3.77Å; I551-I601 HydrophobicContact CB-CG1 4.48Å; I551-I601 HydrophobicContact CG1-CD1 3.96Å; I551-I601 HydrophobicContact CG1-CG1 3.83Å; I551-I601 HydrophobicContact CG2-CG1 4.39Å
552H92.7Very high94.9Very high45 Ų4513.5 Ų13.521%0.2086%0.057CC..  trans-163.1142.1-177.8-155.2-36.5000109.3R550 Y554 K555 R556 Q557 Y594R550-H552 PolarHBondContact O-N 3.09Å; H552-Y554 VanDerWaalsContact C-N 3.34Å; H552-Y554 HydrophobicContact CB-CD1 4.2Å; H552-Y554 HydrophobicContact CB-CE1 4.34Å; H552-Y554 AromaticContact CD2-CD1 3.7Å; H552-Y554 AromaticContact CD2-CE1 3.45Å; H552-Y554 VanDerWaalsContact CD2-CE1 3.45Å; H552-Y554 WeakPolarHBondContact CD2-CE1 3.48Å; H552-Y554 AromaticContact CE1-CD1 3.76Å; H552-Y554 AromaticContact CG-CD1 3.57Å; H552-Y554 AromaticContact CG-CE1 3.75Å; H552-Y554 AromaticContact ND1-CD1 3.6Å; H552-Y554 AromaticContact NE2-CD1 3.82Å; H552-Y554 AromaticContact NE2-CE1 3.73Å; H552-Y554 PolarHBondContact O-N 3.47Å; H552-K555 HydrophobicContact CB-CB 4.32Å; H552-K555 HydrophobicContact CB-CD 4.08Å; H552-K555 HydrophobicContact CB-CG 4.19Å; H552-K555 WeakPolarHBondContact O-CA 3.39Å; H552-K555 WeakPolarHBondContact O-CB 3.44Å; H552-K555 PolarHBondContact O-N 2.81Å; H552-R556 PolarHBondContact O-N 2.93Å; H552-Q557 PolarHBondContact O-OE1 3.25Å; H552-Q557 VanDerWaalsContact O-OE1 3.11Å; H552-Y594 HydrophobicContact CB-CE2 4.39Å; H552-Y594 AromaticContact CE1-CE2 3.77Å; H552-Y594 AromaticContact CE1-CZ 3.98Å; H552-Y594 PolarHBondContact CE1-OH 2.91Å; H552-Y594 AromaticContact CG-CE2 3.8Å; H552-Y594 AromaticContact ND1-CE2 3.54Å; H552-Y594 AromaticContact ND1-CZ 3.72Å; H552-Y594 PolarHBondContact ND1-OH 3.25Å
553E92.2Very high94.9Very high35 Ų3513.9 Ų13.916%0.1646%0.058CC..G310 helixtrans-52.7-46-179.2-70.4161.578.400113.3K555 R556 Y594 M596 I600E553-K555 PolarHBondContact O-N 2.59Å; E553-K555 VanDerWaalsContact O-N 3.16Å; E553-R556 WeakPolarHBondContact O-CA 3.4Å; E553-R556 WeakPolarHBondContact O-CG 3.41Å; E553-R556 PolarHBondContact O-N 2.87Å; E553-Y594 WeakPolarHBondContact CG-OH 3.11Å; E553-Y594 PolarHBondContact N-OH 2.69Å; E553-Y594 VanDerWaalsContact OE2-CE1 3.26Å; E553-Y594 WeakPolarHBondContact OE2-CE1 3.33Å; E553-Y594 PolarHBondContact OE2-OH 3.46Å; E553-M596 HydrophobicContact CG-CG 3.93Å; E553-I600 HydrophobicContact CG-CD1 4.2Å
554Y91.5Very high95Very high39 Ų3913.9 Ų13.915%0.1536%0.058CC..G310 helixtrans-65-20.8178.985.5-104.6000114.4L377 H552 R556 S648 T649 T652 E653 C752L377-Y554 HydrophobicContact CD1-CD1 3.69Å; L377-Y554 HydrophobicContact CD1-CE1 3.71Å; L377-Y554 HydrophobicContact CD1-CG 4.39Å; H552-Y554 VanDerWaalsContact C-N 3.34Å; H552-Y554 HydrophobicContact CB-CD1 4.2Å; H552-Y554 HydrophobicContact CB-CE1 4.34Å; H552-Y554 AromaticContact CD2-CD1 3.7Å; H552-Y554 AromaticContact CD2-CE1 3.45Å; H552-Y554 VanDerWaalsContact CD2-CE1 3.45Å; H552-Y554 WeakPolarHBondContact CD2-CE1 3.48Å; H552-Y554 AromaticContact CE1-CD1 3.76Å; H552-Y554 AromaticContact CG-CD1 3.57Å; H552-Y554 AromaticContact CG-CE1 3.75Å; H552-Y554 AromaticContact ND1-CD1 3.6Å; H552-Y554 AromaticContact NE2-CD1 3.82Å; H552-Y554 AromaticContact NE2-CE1 3.73Å; H552-Y554 PolarHBondContact O-N 3.47Å; Y554-R556 VanDerWaalsContact C-N 3.26Å; Y554-S648 VanDerWaalsContact O-CA 3.23Å; Y554-S648 WeakPolarHBondContact O-CA 3.23Å; Y554-S648 WeakPolarHBondContact O-CB 3.34Å; Y554-T649 PolarHBondContact O-N 2.74Å; Y554-T649 VanDerWaalsContact O-N 3.17Å; Y554-T652 VanDerWaalsContact CD2-OG1 3.27Å; Y554-T652 WeakPolarHBondContact CD2-OG1 3.35Å; Y554-T652 WeakPolarHBondContact CE2-O 3.22Å; Y554-E653 HydrophobicContact CE2-CB 4.43Å; Y554-C752 PolarHBondContact N-SG 2.96Å
555K93.1Very high95Very high15 Ų1513.9 Ų13.97%0.0656%0.058CC..G310 helixtrans-83.5-6.8174.5-67.6178.6177.6-36.10112.6Q547 K549 R550 H552 E553 Q557 E653Q547-K555 PolarHBondContact NE2-O 3.27Å; Q547-K555 VanDerWaalsContact NE2-O 3.11Å; K549-K555 HydrophobicContact CD-CB 3.95Å; K549-K555 HydrophobicContact CD-CD 3.91Å; K549-K555 HydrophobicContact CD-CG 4.03Å; K549-K555 HydrophobicContact CG-CD 4.28Å; R550-K555 WeakPolarHBondContact O-CD 3.47Å; H552-K555 HydrophobicContact CB-CB 4.32Å; H552-K555 HydrophobicContact CB-CD 4.08Å; H552-K555 HydrophobicContact CB-CG 4.19Å; H552-K555 WeakPolarHBondContact O-CA 3.39Å; H552-K555 WeakPolarHBondContact O-CB 3.44Å; H552-K555 PolarHBondContact O-N 2.81Å; E553-K555 PolarHBondContact O-N 2.59Å; E553-K555 VanDerWaalsContact O-N 3.16Å; K555-Q557 PolarHBondContact O-N 3.43Å; K555-E653 IonicContact NZ-OE1 2.94Å; K555-E653 PolarHBondContact NZ-OE1 3.43Å; K555-E653 IonicContact NZ-OE2 2.88Å; K555-E653 PolarHBondContact NZ-OE2 3.15Å
556R95Very high94.9Very high4 Ų414 Ų142%0.0156%0.059CC..THydrogen-bonded Turntrans51.744165.8-61.3-162.9-64.7-176.65.6114.9H552 E553 Y554 L558 L559 N560 I647 S648 T649 C752 N753 F754 T756H552-R556 PolarHBondContact O-N 2.93Å; E553-R556 WeakPolarHBondContact O-CA 3.4Å; E553-R556 WeakPolarHBondContact O-CG 3.41Å; E553-R556 PolarHBondContact O-N 2.87Å; Y554-R556 VanDerWaalsContact C-N 3.26Å; R556-L558 PolarHBondContact O-N 3.29Å; R556-L559 HydrophobicContact CB-CB 3.81Å; R556-L559 HydrophobicContact CB-CD2 4.45Å; R556-L559 WeakPolarHBondContact O-CB 3.48Å; R556-L559 PolarHBondContact O-N 2.98Å; R556-N560 PolarHBondContact O-N 3.04Å; R556-I647 HydrophobicContact CB-CG1 4.46Å; R556-I647 VanDerWaalsContact CZ-O 3.26Å; R556-I647 PolarHBondContact NE-O 2.94Å; R556-I647 PolarHBondContact NH2-O 3.08Å; R556-I647 WeakPolarHBondContact O-CD1 3.47Å; R556-S648 PolarHBondContact NH2-O 2.66Å; R556-S648 VanDerWaalsContact NH2-O 3.1Å; R556-T649 VanDerWaalsContact CD-OG1 3.31Å; R556-T649 WeakPolarHBondContact CD-OG1 3.18Å; R556-T649 PolarHBondContact NE-OG1 3.35Å; R556-C752 WeakPolarHBondContact CD-O 3.38Å; R556-C752 HydrophobicContact CG-CB 4.13Å; R556-C752 PolarHBondContact NH1-O 2.97Å; R556-N753 PolarHBondContact NH1-O 3.44Å; R556-F754 HydrophobicContact CB-CD1 4.35Å; R556-F754 HydrophobicContact CB-CE1 3.71Å; R556-F754 HydrophobicContact CG-CD1 4.16Å; R556-F754 HydrophobicContact CG-CE1 3.55Å; R556-F754 HydrophobicContact CG-CZ 4.13Å; R556-T756 PolarHBondContact NH1-OG1 2.78Å
557Q96.3Very high94.7Very high1 Ų115.3 Ų15.31%0.0057%0.066CC..Hα-helixtrans-55.5-32.7166.6-71.384.9-700112K549 R550 I551 H552 K555 L559 N560 L561 I586 I600 I604K549-Q557 PolarHBondContact O-NE2 2.77Å; R550-Q557 PolarHBondContact O-NE2 3.01Å; R550-Q557 VanDerWaalsContact O-NE2 3.11Å; I551-Q557 HydrophobicContact CD1-CG 3.94Å; H552-Q557 PolarHBondContact O-OE1 3.25Å; H552-Q557 VanDerWaalsContact O-OE1 3.11Å; K555-Q557 PolarHBondContact O-N 3.43Å; Q557-L559 PolarHBondContact O-N 3.4Å; Q557-N560 PolarHBondContact O-N 3.03Å; Q557-L561 PolarHBondContact O-N 2.92Å; Q557-I586 HydrophobicContact CB-CG2 4.41Å; Q557-I586 HydrophobicContact CG-CG2 3.95Å; Q557-I600 HydrophobicContact CB-CG2 3.99Å; Q557-I604 HydrophobicContact CB-CD1 4.36Å
558L95.2Very high94.6Very high3 Ų315.9 Ų15.92%0.0167%0.068CC..Hα-helixtrans-60.7-37.2171.3-73.6173.3000113.4R556 N560 L561 M562 I600 L603 V742 L746 F754R556-L558 PolarHBondContact O-N 3.29Å; L558-N560 VanDerWaalsContact C-N 3.33Å; L558-N560 PolarHBondContact O-N 3.23Å; L558-L561 PolarHBondContact O-N 3.08Å; L558-M562 VanDerWaalsContact O-CG 3.32Å; L558-M562 WeakPolarHBondContact O-CG 3.5Å; L558-M562 PolarHBondContact O-N 2.9Å; L558-I600 HydrophobicContact CD1-CD1 3.83Å; L558-I600 HydrophobicContact CD1-CG1 3.87Å; L558-I600 HydrophobicContact CD2-CG1 3.98Å; L558-I600 HydrophobicContact CD2-CG2 4.45Å; L558-I600 HydrophobicContact CG-CD1 3.91Å; L558-I600 HydrophobicContact CG-CG1 3.74Å; L558-I600 HydrophobicContact CG-CG2 4.36Å; L558-L603 HydrophobicContact CD2-CD2 3.94Å; L558-V742 HydrophobicContact CD1-CG1 4Å; L558-V742 HydrophobicContact CD2-CG1 3.9Å; L558-L746 HydrophobicContact CD1-CD2 4.36Å; L558-F754 HydrophobicContact CB-CD1 4.24Å; L558-F754 HydrophobicContact CB-CE1 3.67Å; L558-F754 HydrophobicContact CB-CZ 3.98Å; L558-F754 HydrophobicContact CD1-CE2 4.32Å; L558-F754 HydrophobicContact CD1-CZ 4.05Å
559L94.2Very high94.5Very high0 Ų016.4 Ų16.40%07%0.07CC..Hα-helixtrans-62.9-42178.3-17956.5000111.5R556 Q557 M562 H563 I647 F692 F754 F757 C760R556-L559 HydrophobicContact CB-CB 3.81Å; R556-L559 HydrophobicContact CB-CD2 4.45Å; R556-L559 WeakPolarHBondContact O-CB 3.48Å; R556-L559 PolarHBondContact O-N 2.98Å; Q557-L559 PolarHBondContact O-N 3.4Å; L559-M562 HydrophobicContact CD1-CE 4.13Å; L559-H563 PolarHBondContact O-N 3.49Å; L559-I647 HydrophobicContact CB-CD1 4.08Å; L559-I647 HydrophobicContact CD2-CD1 4.31Å; L559-I647 HydrophobicContact CG-CD1 4.27Å; L559-F692 HydrophobicContact CD2-CE2 4.16Å; L559-F692 HydrophobicContact CD2-CZ 4.21Å; L559-F754 HydrophobicContact CB-CD1 3.98Å; L559-F754 HydrophobicContact CB-CE1 4.35Å; L559-F757 HydrophobicContact CD1-CB 4.06Å; L559-F757 HydrophobicContact CD1-CD2 4.34Å; L559-C760 HydrophobicContact CD1-CB 4.37Å
560N95Very high94.5Very high0 Ų019.6 Ų19.60%08%0.082CC..Hα-helixtrans-65.1-47.1173.8-170.111.8000110.6Q547 R556 Q557 L558 M562 H563 V564 I586 I647Q547-N560 PolarHBondContact OE1-ND2 2.92Å; R556-N560 PolarHBondContact O-N 3.04Å; Q557-N560 PolarHBondContact O-N 3.03Å; L558-N560 VanDerWaalsContact C-N 3.33Å; L558-N560 PolarHBondContact O-N 3.23Å; N560-M562 VanDerWaalsContact C-N 3.34Å; N560-M562 PolarHBondContact O-N 2.87Å; N560-H563 CarbonylContact O-C 3.22Å; N560-H563 WeakPolarHBondContact O-CA 3.11Å; N560-H563 WeakPolarHBondContact O-CB 3.24Å; N560-H563 PolarHBondContact O-N 3.31Å; N560-V564 WeakPolarHBondContact O-CG2 3.42Å; N560-V564 PolarHBondContact O-N 2.97Å; N560-I586 HydrophobicContact CB-CD1 4.45Å; N560-I647 HydrophobicContact CB-CD1 3.86Å
561L96.3Very high94.6Very high1 Ų115 Ų151%0.0057%0.065CC..Hα-helixtrans-59.8-41.4179.6-168.964.7000112.7Q557 L558 H563 V564 I565 L603 I604 V607 L623Q557-L561 PolarHBondContact O-N 2.92Å; L558-L561 PolarHBondContact O-N 3.08Å; L561-H563 VanDerWaalsContact C-N 3.32Å; L561-H563 PolarHBondContact O-N 3.28Å; L561-V564 WeakPolarHBondContact O-CB 3.42Å; L561-V564 PolarHBondContact O-N 3.3Å; L561-V564 VanDerWaalsContact O-N 3.09Å; L561-I565 HydrophobicContact CG-CD1 4.3Å; L561-I565 WeakPolarHBondContact O-CG1 3.08Å; L561-I565 PolarHBondContact O-N 2.97Å; L561-L603 HydrophobicContact CD2-CB 4.28Å; L561-L603 HydrophobicContact CD2-CD2 3.93Å; L561-L603 HydrophobicContact CD2-CG 3.68Å; L561-I604 HydrophobicContact CD1-CG1 4.21Å; L561-I604 HydrophobicContact CD2-CB 4.49Å; L561-I604 HydrophobicContact CD2-CG1 3.84Å; L561-I604 HydrophobicContact CG-CG1 4.47Å; L561-V607 HydrophobicContact CD1-CB 4.1Å; L561-V607 HydrophobicContact CD1-CG1 3.88Å; L561-V607 HydrophobicContact CD2-CG2 4.38Å; L561-L623 HydrophobicContact CD1-CD2 3.59Å
562M94.4Very high94.7Very high2 Ų218.7 Ų18.71%0.018%0.081CC..Hα-helixtrans-60-40.6172.7-68-166.3-59.200111.8L558 L559 N560 V564 I565 T566 L719 I722 I723 F754 F757L558-M562 VanDerWaalsContact O-CG 3.32Å; L558-M562 WeakPolarHBondContact O-CG 3.5Å; L558-M562 PolarHBondContact O-N 2.9Å; L559-M562 HydrophobicContact CD1-CE 4.13Å; N560-M562 VanDerWaalsContact C-N 3.34Å; N560-M562 PolarHBondContact O-N 2.87Å; M562-V564 PolarHBondContact O-N 3.02Å; M562-I565 PolarHBondContact O-N 3.34Å; M562-T566 PolarHBondContact O-N 3.08Å; M562-T566 PolarHBondContact O-OG1 2.9Å; M562-L719 HydrophobicContact CE-CD1 4.25Å; M562-L719 HydrophobicContact SD-CD1 3.61Å; M562-I722 HydrophobicContact CB-CD1 4.47Å; M562-I722 HydrophobicContact CB-CG2 4.11Å; M562-I722 HydrophobicContact CG-CG2 3.78Å; M562-I722 WeakPolarHBondContact O-CD1 3.42Å; M562-I722 HydrophobicContact SD-CG2 4.33Å; M562-I723 HydrophobicContact SD-CD1 4.35Å; M562-F754 HydrophobicContact CE-CB 3.91Å; M562-F754 HydrophobicContact CE-CD1 4.46Å; M562-F757 HydrophobicContact CB-CD2 4.07Å; M562-F757 HydrophobicContact CB-CE2 3.86Å; M562-F757 HydrophobicContact CE-CD2 4.18Å
563H93.4Very high94.8Very high7 Ų725.6 Ų25.63%0.03211%0.111CC..Hα-helixtrans-62.1-40.1172.1163.9-100.9000112.2L559 N560 L561 T566 M567 R582 M764L559-H563 PolarHBondContact O-N 3.49Å; N560-H563 CarbonylContact O-C 3.22Å; N560-H563 WeakPolarHBondContact O-CA 3.11Å; N560-H563 WeakPolarHBondContact O-CB 3.24Å; N560-H563 PolarHBondContact O-N 3.31Å; L561-H563 VanDerWaalsContact C-N 3.32Å; L561-H563 PolarHBondContact O-N 3.28Å; H563-T566 VanDerWaalsContact O-CB 3.24Å; H563-T566 WeakPolarHBondContact O-CB 3.47Å; H563-T566 PolarHBondContact O-N 3.04Å; H563-M567 VanDerWaalsContact CE1-CE 3.47Å; H563-M567 WeakPolarHBondContact CE1-CE 3.31Å; H563-M567 VanDerWaalsContact CE1-SD 3.5Å; H563-M567 PolarHBondContact O-N 3.3Å; H563-R582 PolarHBondContact CE1-NH1 3.47Å; H563-M764 HydrophobicContact CB-CE 4.23Å; H563-M764 PolarHBondContact CE1-SD 2.8Å; H563-M764 VanDerWaalsContact ND1-CE 3.35Å; H563-M764 WeakPolarHBondContact ND1-CE 3.4Å
564V95.6Very high95Very high0 Ų026.6 Ų26.60%012%0.117CC..Hα-helixtrans-62.8-45.5175.4-178.50000111.4N560 L561 M562 T566 M567 Y568 V584 I611 L621 L623N560-V564 WeakPolarHBondContact O-CG2 3.42Å; N560-V564 PolarHBondContact O-N 2.97Å; L561-V564 WeakPolarHBondContact O-CB 3.42Å; L561-V564 PolarHBondContact O-N 3.3Å; L561-V564 VanDerWaalsContact O-N 3.09Å; M562-V564 PolarHBondContact O-N 3.02Å; V564-T566 VanDerWaalsContact C-N 3.26Å; V564-T566 PolarHBondContact O-N 2.91Å; V564-M567 HydrophobicContact CG2-CE 4.36Å; V564-M567 WeakPolarHBondContact O-CB 3.49Å; V564-M567 PolarHBondContact O-N 3.1Å; V564-M567 VanDerWaalsContact O-N 3.1Å; V564-Y568 PolarHBondContact O-N 3.42Å; V564-V584 HydrophobicContact CG2-CB 4.19Å; V564-V584 HydrophobicContact CG2-CG1 3.8Å; V564-V584 HydrophobicContact CG2-CG2 4.08Å; V564-I611 HydrophobicContact CG1-CD1 3.58Å; V564-L621 HydrophobicContact CG1-CD1 4.41Å; V564-L621 HydrophobicContact CG1-CD2 4.11Å; V564-L623 HydrophobicContact CG1-CB 4.3Å; V564-L623 HydrophobicContact CG1-CD1 4.4Å; V564-L623 HydrophobicContact CG1-CD2 4.12Å; V564-L623 HydrophobicContact CG2-CD1 4.42Å
565I96.5Very high95Very high1 Ų127.5 Ų27.51%0.00513%0.128CC..Hα-helixtrans-61.7-36.5173.9-60.9164.3000110.7L561 M562 M567 Y568 N569 V607 I722 I726 F731L561-I565 HydrophobicContact CG-CD1 4.3Å; L561-I565 WeakPolarHBondContact O-CG1 3.08Å; L561-I565 PolarHBondContact O-N 2.97Å; M562-I565 PolarHBondContact O-N 3.34Å; I565-M567 VanDerWaalsContact C-N 3.34Å; I565-M567 PolarHBondContact O-N 2.71Å; I565-Y568 PolarHBondContact O-N 3.18Å; I565-N569 WeakPolarHBondContact O-CB 3.5Å; I565-N569 PolarHBondContact O-N 3.2Å; I565-V607 HydrophobicContact CD1-CG1 4.41Å; I565-V607 HydrophobicContact CD1-CG2 4.21Å; I565-V607 HydrophobicContact CG1-CG1 3.85Å; I565-V607 HydrophobicContact CG1-CG2 4.48Å; I565-I722 HydrophobicContact CB-CG1 4.24Å; I565-I722 HydrophobicContact CB-CG2 4.39Å; I565-I722 HydrophobicContact CD1-CG2 4.06Å; I565-I722 HydrophobicContact CG2-CB 4.49Å; I565-I722 HydrophobicContact CG2-CG1 3.81Å; I565-I722 HydrophobicContact CG2-CG2 4.32Å; I565-I726 HydrophobicContact CD1-CD1 4.27Å; I565-I726 HydrophobicContact CD1-CG1 4.44Å; I565-F731 HydrophobicContact CD1-CE2 3.95Å; I565-F731 HydrophobicContact CD1-CZ 3.93Å; I565-F731 HydrophobicContact CG1-CE2 4.42Å; I565-F731 HydrophobicContact CG1-CZ 3.87Å; I565-F731 HydrophobicContact CG2-CE2 4.46Å; I565-F731 HydrophobicContact CG2-CZ 3.8Å
566T94.2Very high94.9Very high2 Ų231.6 Ų31.61%0.01216%0.158CC..Hα-helixtrans-60.3-42.9173.5-43.70000111.5M562 H563 V564 R570 I722 F757 L761M562-T566 PolarHBondContact O-N 3.08Å; M562-T566 PolarHBondContact O-OG1 2.9Å; H563-T566 VanDerWaalsContact O-CB 3.24Å; H563-T566 WeakPolarHBondContact O-CB 3.47Å; H563-T566 PolarHBondContact O-N 3.04Å; V564-T566 VanDerWaalsContact C-N 3.26Å; V564-T566 PolarHBondContact O-N 2.91Å; T566-R570 WeakPolarHBondContact O-CB 3.45Å; T566-R570 WeakPolarHBondContact O-CD 3.32Å; T566-R570 VanDerWaalsContact O-CG 3.23Å; T566-R570 WeakPolarHBondContact O-CG 3.38Å; T566-R570 PolarHBondContact O-N 3.2Å; T566-R570 VanDerWaalsContact O-N 3.07Å; T566-I722 VanDerWaalsContact OG1-CD1 3.31Å; T566-I722 WeakPolarHBondContact OG1-CD1 3.35Å; T566-F757 HydrophobicContact CG2-CZ 4.44Å; T566-F757 WeakPolarHBondContact OG1-CE2 3.3Å; T566-F757 VanDerWaalsContact OG1-CZ 3.24Å; T566-F757 WeakPolarHBondContact OG1-CZ 3.44Å; T566-L761 HydrophobicContact CG2-CD1 4.28Å; T566-L761 HydrophobicContact CG2-CD2 4.02Å
567M93.4Very high94.3Very high30 Ų3034.2 Ų34.215%0.14818%0.175CC..Hα-helixtrans-65.3-45.3176.5-67.8-166.3-66.300111.4H563 V564 I565 R570 I571 V584 L621H563-M567 VanDerWaalsContact CE1-CE 3.47Å; H563-M567 WeakPolarHBondContact CE1-CE 3.31Å; H563-M567 VanDerWaalsContact CE1-SD 3.5Å; H563-M567 PolarHBondContact O-N 3.3Å; V564-M567 HydrophobicContact CG2-CE 4.36Å; V564-M567 WeakPolarHBondContact O-CB 3.49Å; V564-M567 PolarHBondContact O-N 3.1Å; V564-M567 VanDerWaalsContact O-N 3.1Å; I565-M567 VanDerWaalsContact C-N 3.34Å; I565-M567 PolarHBondContact O-N 2.71Å; M567-R570 PolarHBondContact O-N 2.88Å; M567-I571 VanDerWaalsContact O-CG1 3.27Å; M567-I571 WeakPolarHBondContact O-CG1 3.26Å; M567-I571 PolarHBondContact O-N 3.22Å; M567-V584 HydrophobicContact CE-CG2 4.06Å; M567-L621 HydrophobicContact CB-CD2 3.85Å; M567-L621 HydrophobicContact CE-CD1 3.52Å; M567-L621 HydrophobicContact CE-CD2 4.28Å
568Y97Very high93.7Very high12 Ų1238.6 Ų38.65%0.04720%0.203CC..Hα-helixtrans-56.2-55.6174.7170.5-102.1000111.7V564 I565 R570 I571 K572 V610 I611 D614 V617 F730V564-Y568 PolarHBondContact O-N 3.42Å; I565-Y568 PolarHBondContact O-N 3.18Å; Y568-R570 VanDerWaalsContact C-N 3.28Å; Y568-R570 PolarHBondContact O-N 2.7Å; Y568-I571 PolarHBondContact O-N 3.23Å; Y568-K572 HydrophobicContact CD1-CG 4.43Å; Y568-K572 HydrophobicContact CD2-CD 4.49Å; Y568-K572 HydrophobicContact CD2-CG 4.11Å; Y568-K572 HydrophobicContact CE1-CG 4.07Å; Y568-K572 HydrophobicContact CE2-CD 3.84Å; Y568-K572 HydrophobicContact CE2-CG 3.72Å; Y568-K572 HydrophobicContact CG-CG 4.45Å; Y568-K572 WeakPolarHBondContact O-CG 3.41Å; Y568-K572 PolarHBondContact O-N 3.24Å; Y568-V610 HydrophobicContact CE2-CG1 4.48Å; Y568-I611 HydrophobicContact CD2-CG1 3.78Å; Y568-I611 HydrophobicContact CE2-CG1 4.43Å; Y568-I611 HydrophobicContact CG-CD1 4.44Å; Y568-I611 HydrophobicContact CG-CG1 4.02Å; Y568-D614 HydrophobicContact CE2-CB 4.32Å; Y568-D614 PolarHBondContact OH-OD2 3.23Å; Y568-V617 HydrophobicContact CD2-CG2 3.77Å; Y568-V617 HydrophobicContact CE2-CG2 3.93Å; Y568-F730 AromaticContact CE1-CE1 3.83Å; Y568-F730 HydrophobicContact CE1-CE1 3.83Å; Y568-F730 HydrophobicContact CE1-CZ 4.06Å
569N96.7Very high93.3Very high15 Ų1540.2 Ų40.28%0.0821%0.213CC..Hα-helixtrans-57.2-39.6179.6-73.5-16.5000112.4I565 K572 K573 Q721 Q725I565-N569 WeakPolarHBondContact O-CB 3.5Å; I565-N569 PolarHBondContact O-N 3.2Å; N569-K572 PolarHBondContact O-N 2.8Å; N569-K573 VanDerWaalsContact O-CB 3.29Å; N569-K573 WeakPolarHBondContact O-CB 3.09Å; N569-K573 PolarHBondContact O-N 2.82Å; N569-Q721 PolarHBondContact ND2-NE2 3.15Å; N569-Q725 PolarHBondContact ND2-OE1 3.29Å; N569-Q725 PolarHBondContact OD1-NE2 2.82Å; N569-Q725 PolarHBondContact OD1-OE1 2.78Å
570R94.5Very high93Very high95 Ų9540.7 Ų40.736%0.35822%0.216SC..Hα-helixtrans-67-40.4175.6-73.9170.9176.2167.7-1.3112.7T566 M567 Y568 K573 D574 E718T566-R570 WeakPolarHBondContact O-CB 3.45Å; T566-R570 WeakPolarHBondContact O-CD 3.32Å; T566-R570 VanDerWaalsContact O-CG 3.23Å; T566-R570 WeakPolarHBondContact O-CG 3.38Å; T566-R570 PolarHBondContact O-N 3.2Å; T566-R570 VanDerWaalsContact O-N 3.07Å; M567-R570 PolarHBondContact O-N 2.88Å; Y568-R570 VanDerWaalsContact C-N 3.28Å; Y568-R570 PolarHBondContact O-N 2.7Å; R570-K573 PolarHBondContact O-N 2.75Å; R570-D574 PolarHBondContact O-N 2.88Å; R570-D574 VanDerWaalsContact O-N 3.07Å; R570-E718 IonicContact CZ-OE1 2.65Å; R570-E718 VanDerWaalsContact CZ-OE1 3.23Å; R570-E718 IonicContact CZ-OE2 3.19Å; R570-E718 IonicContact NE-OE1 3.77Å; R570-E718 PolarHBondContact NE-OE1 2.92Å; R570-E718 IonicContact NE-OE2 3.95Å; R570-E718 IonicContact NH2-OE1 2.95Å; R570-E718 PolarHBondContact NH2-OE1 2.93Å; R570-E718 IonicContact NH2-OE2 2.84Å; R570-E718 PolarHBondContact NH2-OE2 3.33Å
571I95.1Very high92.9Very high8 Ų841.9 Ų41.94%0.04122%0.223CC..Hα-helixtrans-67.4-38.7175.8-68.8163.7000111M567 Y568 D574 P575 V579 V617 K620 L621M567-I571 VanDerWaalsContact O-CG1 3.27Å; M567-I571 WeakPolarHBondContact O-CG1 3.26Å; M567-I571 PolarHBondContact O-N 3.22Å; Y568-I571 PolarHBondContact O-N 3.23Å; I571-D574 CarbonylContact O-C 3.51Å; I571-P575 VanDerWaalsContact O-CA 3.22Å; I571-P575 WeakPolarHBondContact O-CA 3.47Å; I571-P575 WeakPolarHBondContact O-CG 3.43Å; I571-P575 VanDerWaalsContact O-N 3.08Å; I571-V579 HydrophobicContact CD1-CG1 4.44Å; I571-V579 HydrophobicContact CD1-CG2 4.49Å; I571-V579 HydrophobicContact CG1-CG1 4.01Å; I571-V617 HydrophobicContact CG2-CG2 4.15Å; I571-K620 HydrophobicContact CD1-CB 4.17Å; I571-K620 HydrophobicContact CG2-CD 4.16Å; I571-L621 HydrophobicContact CD1-CB 4.12Å
572K96.3Very high92.8Very high78 Ų7842.1 Ų42.134%0.33922%0.224SC..Hα-helixtrans-69-33.8175-63.7-60.1-59.4-156.30112.6Y568 N569 D614 V616 V617Y568-K572 HydrophobicContact CD1-CG 4.43Å; Y568-K572 HydrophobicContact CD2-CD 4.49Å; Y568-K572 HydrophobicContact CD2-CG 4.11Å; Y568-K572 HydrophobicContact CE1-CG 4.07Å; Y568-K572 HydrophobicContact CE2-CD 3.84Å; Y568-K572 HydrophobicContact CE2-CG 3.72Å; Y568-K572 HydrophobicContact CG-CG 4.45Å; Y568-K572 WeakPolarHBondContact O-CG 3.41Å; Y568-K572 PolarHBondContact O-N 3.24Å; N569-K572 PolarHBondContact O-N 2.8Å; K572-D614 WeakPolarHBondContact CD-OD2 3.25Å; K572-D614 WeakPolarHBondContact CE-OD2 3.18Å; K572-D614 IonicContact NZ-OD1 3.25Å; K572-D614 PolarHBondContact NZ-OD1 2.82Å; K572-D614 IonicContact NZ-OD2 3.78Å; K572-D614 PolarHBondContact NZ-OD2 3.25Å; K572-V616 HydrophobicContact CD-CB 4.29Å; K572-V617 HydrophobicContact CD-CG2 4.19Å
573K95.9Very high92.9Very high190 Ų19042 Ų4283%0.82622%0.224SC*.Hα-helixtrans-73-36.9178.6-176.4172-178.7173.60113.4N569 R570N569-K573 VanDerWaalsContact O-CB 3.29Å; N569-K573 WeakPolarHBondContact O-CB 3.09Å; N569-K573 PolarHBondContact O-N 2.82Å; R570-K573 PolarHBondContact O-N 2.75Å
574D94.7Very high93.1Very high56 Ų5641.7 Ų41.730%0.29922%0.222SC..  trans-140.695169.4174.612.7000110.2R570 I571 S576 T577R570-D574 PolarHBondContact O-N 2.88Å; R570-D574 VanDerWaalsContact O-N 3.07Å; I571-D574 CarbonylContact O-C 3.51Å; D574-S576 PolarHBondContact O-N 3.46Å; D574-S576 WeakPolarHBondContact OD1-CA 3.4Å; D574-S576 WeakPolarHBondContact OD1-CB 3.48Å; D574-S576 PolarHBondContact OD1-N 3.24Å; D574-S576 PolarHBondContact OD1-OG 3.49Å; D574-T577 PolarHBondContact O-N 2.97Å; D574-T577 PolarHBondContact OD1-N 3.16Å; D574-T577 WeakPolarHBondContact OD2-CB 3.4Å; D574-T577 PolarHBondContact OD2-N 3.33Å; D574-T577 PolarHBondContact OD2-OG1 2.96Å
575P92.8Very high93.2Very high58 Ų5841.8 Ų41.838%0.37722%0.223SC..THydrogen-bonded Turntrans-65.1-17.8178-25.236.4000114.7I571 V616 K620I571-P575 VanDerWaalsContact O-CA 3.22Å; I571-P575 WeakPolarHBondContact O-CA 3.47Å; I571-P575 WeakPolarHBondContact O-CG 3.43Å; I571-P575 VanDerWaalsContact O-N 3.08Å; P575-V616 HydrophobicContact CB-CG1 3.59Å; P575-V616 HydrophobicContact CG-CG1 3.43Å; P575-V616 VanDerWaalsContact CG-CG1 3.43Å; P575-K620 PolarHBondContact O-NZ 3.11Å
576S89.9Confident93.3Very high100 Ų10041.7 Ų41.770%0.69922%0.222SC*.THydrogen-bonded Turntrans-86.2-24.7-177.2790000113.2D574 P578D574-S576 PolarHBondContact O-N 3.46Å; D574-S576 WeakPolarHBondContact OD1-CA 3.4Å; D574-S576 WeakPolarHBondContact OD1-CB 3.48Å; D574-S576 PolarHBondContact OD1-N 3.24Å; D574-S576 PolarHBondContact OD1-OG 3.49Å; S576-P578 VanDerWaalsContact O-CD 3.32Å; S576-P578 WeakPolarHBondContact O-CD 3.49Å
577T83.6Confident93.5Very high60 Ų6041.6 Ų41.637%0.36822%0.222SC..SBendtrans-56.5123.6-178.6-99.20000111.6D574 V579D574-T577 PolarHBondContact O-N 2.97Å; D574-T577 PolarHBondContact OD1-N 3.16Å; D574-T577 WeakPolarHBondContact OD2-CB 3.4Å; D574-T577 PolarHBondContact OD2-N 3.33Å; D574-T577 PolarHBondContact OD2-OG1 2.96Å; T577-V579 HydrophobicContact CG2-CG1 4.34Å; T577-V579 PolarHBondContact O-N 3.45Å
578P84Confident93.6Very high93 Ų9340.2 Ų40.260%0.60422%0.215SC*.  trans-64.7107.2178.6-26.336.3000112.8S576 R768 K772S576-P578 VanDerWaalsContact O-CD 3.32Å; S576-P578 WeakPolarHBondContact O-CD 3.49Å; P578-R768 PolarHBondContact O-NH2 3.36Å; P578-K772 WeakPolarHBondContact O-CE 3.36Å; P578-K772 PolarHBondContact O-NZ 2.85Å
579V87Confident93.5Very high36 Ų3640.1 Ų40.122%0.21822%0.215CC..PPolyproline II helixtrans-92.5164.2173.3-69.30000112I571 T577 K620I571-V579 HydrophobicContact CD1-CG1 4.44Å; I571-V579 HydrophobicContact CD1-CG2 4.49Å; I571-V579 HydrophobicContact CG1-CG1 4.01Å; T577-V579 HydrophobicContact CG2-CG1 4.34Å; T577-V579 PolarHBondContact O-N 3.45Å; V579-K620 HydrophobicContact CG2-CB 3.74Å; V579-K620 HydrophobicContact CG2-CD 3.97Å; V579-K620 HydrophobicContact CG2-CG 3.82Å
580V87.7Confident93.3Very high11 Ų1139.5 Ų39.57%0.06721%0.212CC..PPolyproline II helixtrans-91.7121164.8167.40000105.6M543 R582 R768 H771 K772M543-V580 HydrophobicContact CB-CG1 4.48Å; M543-V580 HydrophobicContact CE-CG1 4.43Å; V580-R582 PolarHBondContact O-N 3.13Å; V580-R768 HydrophobicContact CB-CG 4.4Å; V580-R768 HydrophobicContact CG2-CG 3.93Å; V580-H771 VanDerWaalsContact CG1-CD2 3.44Å; V580-H771 WeakPolarHBondContact CG1-CD2 3.45Å; V580-K772 HydrophobicContact CG2-CG 3.52Å
581P92.5Very high93.1Very high24 Ų2437 Ų3716%0.15621%0.211CC..PPolyproline II helixtrans-57.8131.1177.3-25.434.8000110.9S542 M543 K620S542-P581 CarbonylContact C-O 3.17Å; S542-P581 WeakPolarHBondContact CA-O 3.38Å; M543-P581 PolarHBondContact N-O 3.34Å; P581-K620 VanDerWaalsContact CA-O 3.31Å; P581-K620 WeakPolarHBondContact CA-O 3.5Å
582R93Very high92.6Very high7 Ų739.6 Ų39.63%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-124.7140.5175.7-66.8-153.6-179.5176.96.1111.7M543 D545 H563 V580 V584 K620 L621 K622 M764M543-R582 HydrophobicContact CB-CG 4.27Å; M543-R582 WeakPolarHBondContact O-CA 3.45Å; M543-R582 HydrophobicContact SD-CG 4.44Å; D545-R582 WeakPolarHBondContact OD2-CD 3.37Å; D545-R582 IonicContact OD2-CZ 2.72Å; D545-R582 IonicContact OD2-NE 2.93Å; D545-R582 IonicContact OD2-NH1 3.25Å; D545-R582 PolarHBondContact OD2-NH1 2.79Å; H563-R582 PolarHBondContact CE1-NH1 3.47Å; V580-R582 PolarHBondContact O-N 3.13Å; R582-V584 HydrophobicContact CB-CG2 4.18Å; R582-K620 PolarHBondContact N-O 3.46Å; R582-K620 VanDerWaalsContact N-O 3.13Å; R582-L621 HydrophobicContact CB-CD1 4.19Å; R582-L621 WeakPolarHBondContact O-CA 3.35Å; R582-K622 PolarHBondContact O-N 3.4Å; R582-M764 PolarHBondContact NH1-SD 3.14Å
583S96.3Very high92Very high0 Ų037.7 Ų37.70%023%0.231CC..EExtended strand (participates in β ladder)trans-114.4101.5164.9-62.40000107.3V538 S542 M543 D545V538-S583 WeakPolarHBondContact CG1-OG 3.46Å; S542-S583 VanDerWaalsContact OG-CB 3.29Å; S542-S583 WeakPolarHBondContact OG-CB 3.45Å; S542-S583 PolarHBondContact OG-N 3.11Å; S542-S583 PolarHBondContact OG-OG 3.12Å; M543-S583 PolarHBondContact O-N 3.26Å; D545-S583 PolarHBondContact N-O 2.93Å
584V98Very high91.7Very high0 Ų031.1 Ų31.10%020%0.202CC..EExtended strand (participates in β ladder)trans-90125.5-176-1730000108.7D545 V564 M567 R582 I586 L621 K622 L623 I624D545-V584 HydrophobicContact CB-CG2 4.17Å; D545-V584 CarbonylContact O-C 3.49Å; D545-V584 VanDerWaalsContact O-CA 3.29Å; D545-V584 WeakPolarHBondContact O-CA 3.38Å; V564-V584 HydrophobicContact CG2-CB 4.19Å; V564-V584 HydrophobicContact CG2-CG1 3.8Å; V564-V584 HydrophobicContact CG2-CG2 4.08Å; M567-V584 HydrophobicContact CE-CG2 4.06Å; R582-V584 HydrophobicContact CB-CG2 4.18Å; V584-I586 HydrophobicContact CG1-CG1 4.36Å; V584-L621 HydrophobicContact CG2-CD1 3.98Å; V584-K622 PolarHBondContact N-O 2.84Å; V584-L623 HydrophobicContact CB-CD1 4.05Å; V584-L623 HydrophobicContact CG1-CD1 4.05Å; V584-L623 CarbonylContact O-C 3.58Å; V584-L623 WeakPolarHBondContact O-CA 3.46Å; V584-I624 PolarHBondContact O-N 2.96Å
585M98.3Very high91.6Very high1 Ų133.6 Ų33.61%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-124.5112.7-172.9-54.3-178.7-170.100109.9L530 V538 F544 D545 I546 Q547 I624 L626L530-M585 HydrophobicContact CD1-CE 3.55Å; L530-M585 HydrophobicContact CD1-SD 4.08Å; V538-M585 HydrophobicContact CG1-CE 4.34Å; F544-M585 HydrophobicContact CD1-CE 4.14Å; F544-M585 HydrophobicContact CD2-CE 3.72Å; F544-M585 HydrophobicContact CE1-CE 4.15Å; F544-M585 HydrophobicContact CE2-CE 3.73Å; F544-M585 HydrophobicContact CG-CE 3.93Å; F544-M585 HydrophobicContact CZ-CE 3.94Å; D545-M585 PolarHBondContact O-N 3.22Å; I546-M585 CarbonylContact C-O 3.6Å; I546-M585 WeakPolarHBondContact CA-O 3.26Å; I546-M585 HydrophobicContact CD1-CB 4.34Å; I546-M585 HydrophobicContact CD1-CG 4.45Å; I546-M585 HydrophobicContact CD1-SD 3.73Å; I546-M585 HydrophobicContact CG1-CB 4.15Å; I546-M585 HydrophobicContact CG1-CG 4.47Å; I546-M585 HydrophobicContact CG1-SD 4.35Å; I546-M585 HydrophobicContact CG2-CB 4.35Å; Q547-M585 PolarHBondContact N-O 3.3Å; M585-I624 WeakPolarHBondContact CA-O 3.44Å; M585-I624 HydrophobicContact CG-CB 4.48Å; M585-L626 HydrophobicContact CB-CD1 3.88Å; M585-L626 HydrophobicContact CB-CG 4.22Å
586I98.7Very high91.6Very high0 Ų031.7 Ų31.70%020%0.197CC..EExtended strand (participates in β ladder)trans-115.2133.1-179.3-51.5-179.9000108.4Q547 Q557 N560 V584 I604 L623 I624 Y625 L626Q547-I586 HydrophobicContact CB-CG1 4.42Å; Q547-I586 HydrophobicContact CB-CG2 4.43Å; Q547-I586 WeakPolarHBondContact O-CA 3.27Å; Q557-I586 HydrophobicContact CB-CG2 4.41Å; Q557-I586 HydrophobicContact CG-CG2 3.95Å; N560-I586 HydrophobicContact CB-CD1 4.45Å; V584-I586 HydrophobicContact CG1-CG1 4.36Å; I586-I604 HydrophobicContact CB-CD1 4.46Å; I586-I604 HydrophobicContact CB-CG2 4.41Å; I586-I604 HydrophobicContact CD1-CD1 4.4Å; I586-I604 HydrophobicContact CD1-CG1 4.43Å; I586-I604 HydrophobicContact CD1-CG2 4.3Å; I586-I604 HydrophobicContact CG2-CD1 3.86Å; I586-L623 HydrophobicContact CD1-CD1 4.14Å; I586-L623 HydrophobicContact CG1-CD1 4.33Å; I586-I624 PolarHBondContact N-O 2.88Å; I586-Y625 CarbonylContact O-C 3.59Å; I586-Y625 WeakPolarHBondContact O-CA 3.35Å; I586-L626 PolarHBondContact O-N 2.74Å
587G97.8Very high91.8Very high0 Ų026.9 Ų26.90%016%0.164CC..EExtended strand (participates in β ladder)trans-154.6152.7-17800000114.1Q547 V548 K549Q547-G587 PolarHBondContact O-N 2.88Å; V548-G587 VanDerWaalsContact CA-O 3.31Å; V548-G587 WeakPolarHBondContact CA-O 3.16Å; K549-G587 PolarHBondContact N-O 2.94Å; K549-G587 VanDerWaalsContact O-O 3.11Å
588G96.3Very high92.4Very high0 Ų026.5 Ų26.50%016%0.157CC..  trans148.8148.1179.800000112.7Q166 I551 Y625Q166-G588 PolarHBondContact NE2-O 3.03Å; Q166-G588 VanDerWaalsContact NE2-O 3.16Å; I551-G588 WeakPolarHBondContact CG1-O 3.27Å; G588-Y625 PolarHBondContact O-OH 3.33Å
589K94.9Very high93Very high11 Ų1123.1 Ų23.15%0.04813%0.133CC..PPolyproline II helixtrans-77.5139.7176.9-59.6-176.6-178.9-176.10110.4I163 F164 Q166 R550 I551 N628I163-K589 HydrophobicContact CD1-CB 4.21Å; I163-K589 HydrophobicContact CD1-CD 3.54Å; I163-K589 HydrophobicContact CD1-CG 4.41Å; I163-K589 HydrophobicContact CG1-CD 3.71Å; I163-K589 PolarHBondContact O-NZ 2.82Å; F164-K589 HydrophobicContact CE1-CB 4.49Å; F164-K589 HydrophobicContact CE2-CB 4.37Å; F164-K589 HydrophobicContact CE2-CD 4.2Å; F164-K589 HydrophobicContact CE2-CG 4.4Å; F164-K589 HydrophobicContact CZ-CB 3.8Å; F164-K589 HydrophobicContact CZ-CD 4.18Å; F164-K589 HydrophobicContact CZ-CG 4.28Å; F164-K589 WeakPolarHBondContact O-CE 3.46Å; F164-K589 PolarHBondContact O-NZ 3.21Å; Q166-K589 HydrophobicContact CB-CD 4.32Å; Q166-K589 HydrophobicContact CB-CG 4.06Å; R550-K589 VanDerWaalsContact CG-O 3.31Å; R550-K589 WeakPolarHBondContact CG-O 3.45Å; I551-K589 PolarHBondContact N-O 3.09Å; K589-N628 WeakPolarHBondContact CE-OD1 3.39Å; K589-N628 PolarHBondContact NZ-OD1 3.37Å
590A93.2Very high93.5Very high2 Ų221.4 Ų21.42%0.01712%0.123CC..PPolyproline II helixtrans-89.7152.3164.300000109.8F164 Q173 I551 A597 K598 I601F164-A590 VanDerWaalsContact CZ-O 3.26Å; F164-A590 WeakPolarHBondContact CZ-O 3.38Å; Q173-A590 PolarHBondContact NE2-O 3.46Å; I551-A590 HydrophobicContact CB-CB 4.26Å; A590-A597 HydrophobicContact CB-CB 3.65Å; A590-K598 HydrophobicContact CB-CG 4.14Å; A590-I601 HydrophobicContact CB-CD1 3.57Å
591A88.4Confident94Very high42 Ų4220.9 Ų20.935%0.34712%0.12SC..PPolyproline II helixtrans-68.4141.817300000110.3G593 Y594A591-G593 VanDerWaalsContact C-N 3.29Å; A591-G593 PolarHBondContact O-N 3.23Å; A591-G593 VanDerWaalsContact O-N 3.16Å; A591-Y594 PolarHBondContact O-N 3.05Å
592P86.3Confident94.3Very high62 Ų6222.4 Ų22.440%0.40312%0.122SC..THydrogen-bonded Turntrans-58.6-35.1-169.3-28.536.5000114.9F164 E175 K598F164-P592 HydrophobicContact CD1-CG 4.19Å; F164-P592 HydrophobicContact CE1-CG 3.98Å; E175-P592 HydrophobicContact CG-CB 4.08Å; E175-P592 HydrophobicContact CG-CG 3.93Å; P592-K598 VanDerWaalsContact O-CE 3.24Å; P592-K598 WeakPolarHBondContact O-CE 3.36Å; P592-K598 PolarHBondContact O-NZ 2.75Å
593G83.9Confident94.5Very high38 Ų3822 Ų2239%0.39212%0.121SC..THydrogen-bonded Turntrans-87.8-5.5176.400000115.6A591 H595A591-G593 VanDerWaalsContact C-N 3.29Å; A591-G593 PolarHBondContact O-N 3.23Å; A591-G593 VanDerWaalsContact O-N 3.16Å; G593-H595 PolarHBondContact O-N 3.27Å; G593-H595 VanDerWaalsContact O-N 3.13Å
594Y88.9Confident94.6Very high53 Ų5322 Ų2221%0.20812%0.121CC..  trans-87.986-174.2-172.15.4000110.8H552 E553 A591 M596 A597 K598H552-Y594 HydrophobicContact CB-CE2 4.39Å; H552-Y594 AromaticContact CE1-CE2 3.77Å; H552-Y594 AromaticContact CE1-CZ 3.98Å; H552-Y594 PolarHBondContact CE1-OH 2.91Å; H552-Y594 AromaticContact CG-CE2 3.8Å; H552-Y594 AromaticContact ND1-CE2 3.54Å; H552-Y594 AromaticContact ND1-CZ 3.72Å; H552-Y594 PolarHBondContact ND1-OH 3.25Å; E553-Y594 WeakPolarHBondContact CG-OH 3.11Å; E553-Y594 PolarHBondContact N-OH 2.69Å; E553-Y594 VanDerWaalsContact OE2-CE1 3.26Å; E553-Y594 WeakPolarHBondContact OE2-CE1 3.33Å; E553-Y594 PolarHBondContact OE2-OH 3.46Å; A591-Y594 PolarHBondContact O-N 3.05Å; Y594-M596 HydrophobicContact CD1-CB 4.38Å; Y594-M596 HydrophobicContact CE1-CB 3.94Å; Y594-M596 PolarHBondContact O-N 3.29Å; Y594-A597 HydrophobicContact CD1-CB 4.08Å; Y594-A597 HydrophobicContact CD2-CB 3.44Å; Y594-A597 VanDerWaalsContact CD2-CB 3.44Å; Y594-A597 HydrophobicContact CE1-CB 4.34Å; Y594-A597 HydrophobicContact CE2-CB 3.75Å; Y594-A597 HydrophobicContact CG-CB 3.61Å; Y594-A597 PolarHBondContact O-N 2.98Å; Y594-K598 PolarHBondContact O-N 2.91Å; Y594-K598 VanDerWaalsContact O-N 3.12Å
595H91.7Very high94.6Very high107 Ų10723 Ų2350%0.49513%0.126SC..Hα-helixtrans-49.2-52.7-175.7-176.598.1000113.4G593 A597 K598 Q599 D741G593-H595 PolarHBondContact O-N 3.27Å; G593-H595 VanDerWaalsContact O-N 3.13Å; H595-A597 PolarHBondContact O-N 3.24Å; H595-K598 WeakPolarHBondContact O-CB 3.13Å; H595-K598 PolarHBondContact O-N 3.25Å; H595-K598 VanDerWaalsContact O-N 3.08Å; H595-Q599 PolarHBondContact CE1-NE2 3.4Å; H595-Q599 VanDerWaalsContact NE2-CG 3.3Å; H595-Q599 WeakPolarHBondContact NE2-CG 3.22Å; H595-Q599 PolarHBondContact NE2-NE2 2.74Å; H595-Q599 WeakPolarHBondContact O-CG 3.13Å; H595-Q599 PolarHBondContact O-N 3.08Å; H595-D741 IonicContact NE2-OD2 3.64Å
596M93.8Very high94.6Very high18 Ų1824 Ų249%0.08913%0.132CC..Hα-helixtrans-62.2-40.7-177.3-172.950.453.400112.1E553 Y594 K598 Q599 I600 D741 V742 V745E553-M596 HydrophobicContact CG-CG 3.93Å; Y594-M596 HydrophobicContact CD1-CB 4.38Å; Y594-M596 HydrophobicContact CE1-CB 3.94Å; Y594-M596 PolarHBondContact O-N 3.29Å; M596-K598 VanDerWaalsContact C-N 3.32Å; M596-K598 PolarHBondContact O-N 3.07Å; M596-Q599 PolarHBondContact O-N 2.77Å; M596-I600 HydrophobicContact CG-CD1 4.3Å; M596-I600 VanDerWaalsContact O-CG1 3.25Å; M596-I600 WeakPolarHBondContact O-CG1 3.48Å; M596-I600 PolarHBondContact O-N 2.9Å; M596-D741 HydrophobicContact CE-CB 4.19Å; M596-V742 HydrophobicContact SD-CB 4.45Å; M596-V742 HydrophobicContact SD-CG1 4.42Å; M596-V742 HydrophobicContact SD-CG2 4.06Å; M596-V745 HydrophobicContact CE-CB 4.42Å; M596-V745 HydrophobicContact CE-CG2 3.78Å
597A94.7Very high94.5Very high0 Ų024 Ų240%013%0.132CC..Hα-helixtrans-63.1-35174.500000113I551 A590 Y594 H595 I600 I601I551-A597 HydrophobicContact CB-CB 4.27Å; I551-A597 HydrophobicContact CG2-CB 4.02Å; A590-A597 HydrophobicContact CB-CB 3.65Å; Y594-A597 HydrophobicContact CD1-CB 4.08Å; Y594-A597 HydrophobicContact CD2-CB 3.44Å; Y594-A597 VanDerWaalsContact CD2-CB 3.44Å; Y594-A597 HydrophobicContact CE1-CB 4.34Å; Y594-A597 HydrophobicContact CE2-CB 3.75Å; Y594-A597 HydrophobicContact CG-CB 3.61Å; Y594-A597 PolarHBondContact O-N 2.98Å; H595-A597 PolarHBondContact O-N 3.24Å; A597-I600 PolarHBondContact O-N 2.64Å; A597-I601 WeakPolarHBondContact O-CG1 3.24Å; A597-I601 PolarHBondContact O-N 2.94Å
598K96Very high94.5Very high51 Ų5124.2 Ų24.222%0.22213%0.134CC..Hα-helixtrans-68.2-40.1171.8-75.8-174.6165-178.80112.7E175 A590 P592 Y594 H595 M596 I600 I601 R602E175-K598 WeakPolarHBondContact OE1-CE 3.4Å; E175-K598 IonicContact OE1-NZ 2.71Å; E175-K598 PolarHBondContact OE1-NZ 2.93Å; E175-K598 IonicContact OE2-NZ 3.92Å; E175-K598 PolarHBondContact OE2-NZ 3.23Å; A590-K598 HydrophobicContact CB-CG 4.14Å; P592-K598 VanDerWaalsContact O-CE 3.24Å; P592-K598 WeakPolarHBondContact O-CE 3.36Å; P592-K598 PolarHBondContact O-NZ 2.75Å; Y594-K598 PolarHBondContact O-N 2.91Å; Y594-K598 VanDerWaalsContact O-N 3.12Å; H595-K598 WeakPolarHBondContact O-CB 3.13Å; H595-K598 PolarHBondContact O-N 3.25Å; H595-K598 VanDerWaalsContact O-N 3.08Å; M596-K598 VanDerWaalsContact C-N 3.32Å; M596-K598 PolarHBondContact O-N 3.07Å; K598-I600 VanDerWaalsContact C-N 3.32Å; K598-I600 PolarHBondContact O-N 3.22Å; K598-I601 WeakPolarHBondContact O-CB 3.34Å; K598-I601 PolarHBondContact O-N 3.49Å; K598-R602 PolarHBondContact O-N 2.95Å
599Q96.8Very high94.4Very high22 Ų2228.5 Ų28.510%0.10316%0.157CC..Hα-helixtrans-65-35.6174.6-64.8-7226.200112.2H595 M596 R602 L603 V742H595-Q599 PolarHBondContact CE1-NE2 3.4Å; H595-Q599 VanDerWaalsContact NE2-CG 3.3Å; H595-Q599 WeakPolarHBondContact NE2-CG 3.22Å; H595-Q599 PolarHBondContact NE2-NE2 2.74Å; H595-Q599 WeakPolarHBondContact O-CG 3.13Å; H595-Q599 PolarHBondContact O-N 3.08Å; M596-Q599 PolarHBondContact O-N 2.77Å; Q599-R602 PolarHBondContact O-N 2.56Å; Q599-L603 WeakPolarHBondContact O-CB 3.21Å; Q599-L603 PolarHBondContact O-N 2.96Å; Q599-V742 HydrophobicContact CB-CG2 3.83Å
600I97.1Very high94.5Very high1 Ų130 Ų301%0.00517%0.167CC..Hα-helixtrans-61.1-44.5173.1-68.2169.1000110.8I551 E553 Q557 L558 M596 A597 K598 R602 L603 I604I551-I600 HydrophobicContact CG2-CB 4.01Å; I551-I600 HydrophobicContact CG2-CG2 3.77Å; E553-I600 HydrophobicContact CG-CD1 4.2Å; Q557-I600 HydrophobicContact CB-CG2 3.99Å; L558-I600 HydrophobicContact CD1-CD1 3.83Å; L558-I600 HydrophobicContact CD1-CG1 3.87Å; L558-I600 HydrophobicContact CD2-CG1 3.98Å; L558-I600 HydrophobicContact CD2-CG2 4.45Å; L558-I600 HydrophobicContact CG-CD1 3.91Å; L558-I600 HydrophobicContact CG-CG1 3.74Å; L558-I600 HydrophobicContact CG-CG2 4.36Å; M596-I600 HydrophobicContact CG-CD1 4.3Å; M596-I600 VanDerWaalsContact O-CG1 3.25Å; M596-I600 WeakPolarHBondContact O-CG1 3.48Å; M596-I600 PolarHBondContact O-N 2.9Å; A597-I600 PolarHBondContact O-N 2.64Å; K598-I600 VanDerWaalsContact C-N 3.32Å; K598-I600 PolarHBondContact O-N 3.22Å; I600-R602 VanDerWaalsContact C-N 3.33Å; I600-R602 PolarHBondContact O-N 3.04Å; I600-L603 PolarHBondContact O-N 3.26Å; I600-I604 HydrophobicContact CG2-CD1 3.91Å; I600-I604 WeakPolarHBondContact O-CD1 3.46Å; I600-I604 VanDerWaalsContact O-CG1 3.22Å; I600-I604 WeakPolarHBondContact O-CG1 3.43Å; I600-I604 PolarHBondContact O-N 3.31Å
601I98.3Very high94.7Very high0 Ų029.9 Ų29.90%017%0.166CC..Hα-helixtrans-58.6-47.2173.9-66.3173.2000110.6I168 Q173 I551 A590 A597 K598 L603 I604 N605 Y625I168-I601 HydrophobicContact CD1-CG2 3.87Å; Q173-I601 HydrophobicContact CB-CD1 3.87Å; Q173-I601 HydrophobicContact CB-CG2 4.31Å; Q173-I601 HydrophobicContact CG-CD1 4.5Å; I551-I601 HydrophobicContact CB-CG1 4.48Å; I551-I601 HydrophobicContact CG1-CD1 3.96Å; I551-I601 HydrophobicContact CG1-CG1 3.83Å; I551-I601 HydrophobicContact CG2-CG1 4.39Å; A590-I601 HydrophobicContact CB-CD1 3.57Å; A597-I601 WeakPolarHBondContact O-CG1 3.24Å; A597-I601 PolarHBondContact O-N 2.94Å; K598-I601 WeakPolarHBondContact O-CB 3.34Å; K598-I601 PolarHBondContact O-N 3.49Å; I601-L603 PolarHBondContact O-N 3.05Å; I601-I604 PolarHBondContact O-N 3.05Å; I601-N605 PolarHBondContact O-N 3.37Å; I601-N605 VanDerWaalsContact O-N 3.11Å; I601-N605 PolarHBondContact O-ND2 3.43Å; I601-Y625 HydrophobicContact CB-CE2 4.32Å; I601-Y625 WeakPolarHBondContact CD1-OH 3.35Å; I601-Y625 HydrophobicContact CG1-CE2 4.05Å; I601-Y625 WeakPolarHBondContact CG1-OH 3.31Å; I601-Y625 HydrophobicContact CG2-CE1 4.2Å; I601-Y625 HydrophobicContact CG2-CE2 3.9Å
602R97.6Very high95Very high55 Ų5529.1 Ų29.121%0.20816%0.156CC..Hα-helixtrans-61.2-44.9-179.4-165-173.8-164.9175.22.2112.2G171 M172 K598 Q599 I600 N605 V606 M738 F739G171-R602 WeakPolarHBondContact O-CA 3.4Å; M172-R602 HydrophobicContact CG-CB 4.35Å; M172-R602 HydrophobicContact CG-CG 3.78Å; M172-R602 VanDerWaalsContact SD-CZ 3.51Å; K598-R602 PolarHBondContact O-N 2.95Å; Q599-R602 PolarHBondContact O-N 2.56Å; I600-R602 VanDerWaalsContact C-N 3.33Å; I600-R602 PolarHBondContact O-N 3.04Å; R602-N605 PolarHBondContact O-N 3.01Å; R602-V606 HydrophobicContact CG-CG2 4.48Å; R602-V606 WeakPolarHBondContact O-CG2 3.5Å; R602-V606 PolarHBondContact O-N 3.14Å; R602-M738 PolarHBondContact NE-SD 3.19Å; R602-F739 HydrophobicContact CB-CE1 4.04Å; R602-F739 HydrophobicContact CB-CZ 4.28Å; R602-F739 HydrophobicContact CG-CE1 4.09Å; R602-F739 HydrophobicContact CG-CZ 3.97Å
603L98Very high95.4Very high0 Ų032.3 Ų32.30%017%0.169CC..Hα-helixtrans-64.7-39.2178.2-175.463.4000111.9L558 L561 Q599 I600 I601 V607 I726 F739 V742L558-L603 HydrophobicContact CD2-CD2 3.94Å; L561-L603 HydrophobicContact CD2-CB 4.28Å; L561-L603 HydrophobicContact CD2-CD2 3.93Å; L561-L603 HydrophobicContact CD2-CG 3.68Å; Q599-L603 WeakPolarHBondContact O-CB 3.21Å; Q599-L603 PolarHBondContact O-N 2.96Å; I600-L603 PolarHBondContact O-N 3.26Å; I601-L603 PolarHBondContact O-N 3.05Å; L603-V607 HydrophobicContact CD1-CG2 4.01Å; L603-V607 HydrophobicContact CG-CG2 4.33Å; L603-V607 VanDerWaalsContact O-CB 3.3Å; L603-V607 WeakPolarHBondContact O-CB 3.35Å; L603-V607 WeakPolarHBondContact O-CG2 3.46Å; L603-V607 PolarHBondContact O-N 3.02Å; L603-I726 HydrophobicContact CD1-CG1 4.44Å; L603-I726 HydrophobicContact CD1-CG2 4.38Å; L603-I726 HydrophobicContact CD2-CD1 4.2Å; L603-I726 HydrophobicContact CD2-CG1 4.35Å; L603-I726 HydrophobicContact CD2-CG2 4.14Å; L603-F739 HydrophobicContact CB-CD1 4.08Å; L603-F739 HydrophobicContact CB-CE1 3.73Å; L603-F739 HydrophobicContact CB-CE2 4.42Å; L603-F739 HydrophobicContact CB-CZ 3.91Å; L603-F739 HydrophobicContact CD1-CD1 4.17Å; L603-F739 HydrophobicContact CD1-CD2 3.51Å; L603-F739 HydrophobicContact CD1-CE1 4.24Å; L603-F739 HydrophobicContact CD1-CE2 3.56Å; L603-F739 HydrophobicContact CD1-CG 3.81Å; L603-F739 HydrophobicContact CD1-CZ 3.95Å; L603-V742 HydrophobicContact CD2-CG1 4.08Å
604I98.5Very high96Very high0 Ų031.4 Ų31.40%016%0.156CC..Hα-helixtrans-61.1-46.3175.3-64.3158.3000110.9Q557 L561 I586 I600 I601 A608 L623 Y625Q557-I604 HydrophobicContact CB-CD1 4.36Å; L561-I604 HydrophobicContact CD1-CG1 4.21Å; L561-I604 HydrophobicContact CD2-CB 4.49Å; L561-I604 HydrophobicContact CD2-CG1 3.84Å; L561-I604 HydrophobicContact CG-CG1 4.47Å; I586-I604 HydrophobicContact CB-CD1 4.46Å; I586-I604 HydrophobicContact CB-CG2 4.41Å; I586-I604 HydrophobicContact CD1-CD1 4.4Å; I586-I604 HydrophobicContact CD1-CG1 4.43Å; I586-I604 HydrophobicContact CD1-CG2 4.3Å; I586-I604 HydrophobicContact CG2-CD1 3.86Å; I600-I604 HydrophobicContact CG2-CD1 3.91Å; I600-I604 WeakPolarHBondContact O-CD1 3.46Å; I600-I604 VanDerWaalsContact O-CG1 3.22Å; I600-I604 WeakPolarHBondContact O-CG1 3.43Å; I600-I604 PolarHBondContact O-N 3.31Å; I601-I604 PolarHBondContact O-N 3.05Å; I604-A608 VanDerWaalsContact O-CB 3.32Å; I604-A608 WeakPolarHBondContact O-CB 3.36Å; I604-A608 PolarHBondContact O-N 3.35Å; I604-L623 HydrophobicContact CG2-CD1 4.46Å; I604-L623 HydrophobicContact CG2-CD2 4.33Å; I604-Y625 HydrophobicContact CB-CD2 4.22Å; I604-Y625 HydrophobicContact CD1-CD2 4.4Å; I604-Y625 HydrophobicContact CD1-CE2 4.37Å; I604-Y625 HydrophobicContact CG2-CD2 3.86Å
605N97.9Very high96.3Very high20 Ų2034.5 Ų34.511%0.10718%0.183CC..Hα-helixtrans-65.3-47.4-179.4-76.8-83.2000111.8G171 I601 R602 V607 A608 D609 Y625G171-N605 PolarHBondContact O-ND2 2.89Å; I601-N605 PolarHBondContact O-N 3.37Å; I601-N605 VanDerWaalsContact O-N 3.11Å; I601-N605 PolarHBondContact O-ND2 3.43Å; R602-N605 PolarHBondContact O-N 3.01Å; N605-V607 VanDerWaalsContact C-N 3.34Å; N605-V607 PolarHBondContact O-N 2.94Å; N605-A608 CarbonylContact O-C 3.51Å; N605-A608 WeakPolarHBondContact O-CA 3.38Å; N605-A608 VanDerWaalsContact O-CB 3.27Å; N605-A608 WeakPolarHBondContact O-CB 3.26Å; N605-A608 PolarHBondContact O-N 3.47Å; N605-D609 PolarHBondContact O-N 3.21Å; N605-Y625 VanDerWaalsContact OD1-CB 3.29Å; N605-Y625 WeakPolarHBondContact OD1-CB 3.35Å
606V97.3Very high96.5Very high22 Ų2232 Ų3213%0.13317%0.174CC..Hα-helixtrans-65.9-36.1-179.7177.40000112.1R602 A608 D609 V610 F731 T732 F739R602-V606 HydrophobicContact CG-CG2 4.48Å; R602-V606 WeakPolarHBondContact O-CG2 3.5Å; R602-V606 PolarHBondContact O-N 3.14Å; V606-A608 VanDerWaalsContact C-N 3.33Å; V606-D609 PolarHBondContact O-N 3.41Å; V606-V610 PolarHBondContact O-N 2.88Å; V606-F731 HydrophobicContact CG1-CB 4.04Å; V606-F731 WeakPolarHBondContact CG1-O 3.4Å; V606-T732 HydrophobicContact CG1-CG2 3.74Å; V606-F739 HydrophobicContact CB-CE2 4.37Å; V606-F739 HydrophobicContact CB-CZ 4.44Å; V606-F739 HydrophobicContact CG1-CE2 4.44Å; V606-F739 HydrophobicContact CG2-CZ 4.28Å
607V97.8Very high96.6Very high0 Ų031.1 Ų31.10%017%0.17CC..Hα-helixtrans-68.1-33.6171.5172.70000111.2L561 I565 L603 N605 I611 L623 F731L561-V607 HydrophobicContact CD1-CB 4.1Å; L561-V607 HydrophobicContact CD1-CG1 3.88Å; L561-V607 HydrophobicContact CD2-CG2 4.38Å; I565-V607 HydrophobicContact CD1-CG1 4.41Å; I565-V607 HydrophobicContact CD1-CG2 4.21Å; I565-V607 HydrophobicContact CG1-CG1 3.85Å; I565-V607 HydrophobicContact CG1-CG2 4.48Å; L603-V607 HydrophobicContact CD1-CG2 4.01Å; L603-V607 HydrophobicContact CG-CG2 4.33Å; L603-V607 VanDerWaalsContact O-CB 3.3Å; L603-V607 WeakPolarHBondContact O-CB 3.35Å; L603-V607 WeakPolarHBondContact O-CG2 3.46Å; L603-V607 PolarHBondContact O-N 3.02Å; N605-V607 VanDerWaalsContact C-N 3.34Å; N605-V607 PolarHBondContact O-N 2.94Å; V607-I611 HydrophobicContact CG1-CD1 3.68Å; V607-I611 HydrophobicContact CG1-CG1 4.34Å; V607-I611 WeakPolarHBondContact O-CB 3.41Å; V607-I611 VanDerWaalsContact O-CG1 3.28Å; V607-I611 WeakPolarHBondContact O-CG1 3.44Å; V607-I611 PolarHBondContact O-N 3.48Å; V607-L623 HydrophobicContact CB-CD2 4.3Å; V607-L623 HydrophobicContact CG1-CD2 3.91Å; V607-F731 HydrophobicContact CB-CD1 4.41Å; V607-F731 HydrophobicContact CG1-CE1 4.23Å; V607-F731 HydrophobicContact CG2-CB 4.47Å; V607-F731 HydrophobicContact CG2-CD1 3.8Å; V607-F731 HydrophobicContact CG2-CD2 4.03Å; V607-F731 HydrophobicContact CG2-CE1 3.98Å; V607-F731 HydrophobicContact CG2-CE2 4.18Å; V607-F731 HydrophobicContact CG2-CG 3.83Å; V607-F731 HydrophobicContact CG2-CZ 4.17Å
608A97.2Very high96.4Very high4 Ų432.5 Ų32.53%0.03319%0.185CC..Hα-helixtrans-65.6-43.6174.600000111.9I604 N605 V606 V610 I611 N612 L623I604-A608 VanDerWaalsContact O-CB 3.32Å; I604-A608 WeakPolarHBondContact O-CB 3.36Å; I604-A608 PolarHBondContact O-N 3.35Å; N605-A608 CarbonylContact O-C 3.51Å; N605-A608 WeakPolarHBondContact O-CA 3.38Å; N605-A608 VanDerWaalsContact O-CB 3.27Å; N605-A608 WeakPolarHBondContact O-CB 3.26Å; N605-A608 PolarHBondContact O-N 3.47Å; V606-A608 VanDerWaalsContact C-N 3.33Å; A608-V610 VanDerWaalsContact C-N 3.31Å; A608-V610 PolarHBondContact O-N 2.85Å; A608-I611 PolarHBondContact O-N 2.6Å; A608-N612 WeakPolarHBondContact O-CB 3.21Å; A608-N612 PolarHBondContact O-N 3Å; A608-N612 PolarHBondContact O-ND2 2.79Å; A608-L623 HydrophobicContact CB-CB 4.09Å; A608-L623 HydrophobicContact CB-CD2 3.97Å; A608-L623 HydrophobicContact CB-CG 3.87Å; A608-L623 WeakPolarHBondContact CB-O 3.14Å
609D95.2Very high96.2Very high91 Ų9133.9 Ų33.949%0.48719%0.194SC..Hα-helixtrans-58.3-43.1177-66.3-32.4000111.5N605 V606 N613N605-D609 PolarHBondContact O-N 3.21Å; V606-D609 PolarHBondContact O-N 3.41Å; D609-N613 WeakPolarHBondContact O-CB 3.27Å; D609-N613 PolarHBondContact O-ND2 2.8Å
610V96.6Very high96.1Very high42 Ų4235.5 Ų35.526%0.25520%0.201SC..Hα-helixtrans-66.8-46.3175.9173.50000111.8Y568 V606 A608 D614 F731Y568-V610 HydrophobicContact CE2-CG1 4.48Å; V606-V610 PolarHBondContact O-N 2.88Å; A608-V610 VanDerWaalsContact C-N 3.31Å; A608-V610 PolarHBondContact O-N 2.85Å; V610-D614 PolarHBondContact O-N 2.74Å; V610-F731 HydrophobicContact CB-CD1 4.19Å; V610-F731 HydrophobicContact CG1-CD1 4.27Å; V610-F731 HydrophobicContact CG1-CE1 4.48Å; V610-F731 HydrophobicContact CG2-CD1 4.12Å
611I96.7Very high96Very high0 Ų035.5 Ų35.50%020%0.201CC..Hα-helixtrans-68.8-44.2-176.6-72.6176.4000112.1V564 Y568 V607 A608 N613 D614 L621 L623V564-I611 HydrophobicContact CG1-CD1 3.58Å; Y568-I611 HydrophobicContact CD2-CG1 3.78Å; Y568-I611 HydrophobicContact CE2-CG1 4.43Å; Y568-I611 HydrophobicContact CG-CD1 4.44Å; Y568-I611 HydrophobicContact CG-CG1 4.02Å; V607-I611 HydrophobicContact CG1-CD1 3.68Å; V607-I611 HydrophobicContact CG1-CG1 4.34Å; V607-I611 WeakPolarHBondContact O-CB 3.41Å; V607-I611 VanDerWaalsContact O-CG1 3.28Å; V607-I611 WeakPolarHBondContact O-CG1 3.44Å; V607-I611 PolarHBondContact O-N 3.48Å; A608-I611 PolarHBondContact O-N 2.6Å; I611-N613 VanDerWaalsContact C-N 3.32Å; I611-N613 PolarHBondContact O-N 2.97Å; I611-D614 PolarHBondContact O-N 3.01Å; I611-L621 HydrophobicContact CD1-CD2 4.31Å; I611-L621 HydrophobicContact CG2-CB 4.5Å; I611-L621 HydrophobicContact CG2-CD2 4.11Å; I611-L621 HydrophobicContact CG2-CG 3.91Å; I611-L623 HydrophobicContact CD1-CD2 4.46Å
612N95.6Very high95.9Very high25 Ų2537.1 Ų37.113%0.13421%0.208CC..Hα-helixtrans-72.2-28.2-171.1-68.6-22.4000112.8A608 K622 L623A608-N612 WeakPolarHBondContact O-CB 3.21Å; A608-N612 PolarHBondContact O-N 3Å; A608-N612 PolarHBondContact O-ND2 2.79Å; N612-K622 HydrophobicContact CB-CD 4.29Å; N612-K622 PolarHBondContact O-NZ 3.19Å; N612-K622 WeakPolarHBondContact OD1-CA 3.38Å; N612-K622 WeakPolarHBondContact OD1-CD 3.35Å; N612-L623 PolarHBondContact ND2-O 3.02Å; N612-L623 PolarHBondContact OD1-N 2.8Å; N612-L623 PolarHBondContact OD1-O 3.33Å
613N95Very high95.9Very high129 Ų12934.5 Ų34.569%0.6920%0.198SC*.THydrogen-bonded Turntrans-95.1-0.8-179.7-66.6-66.2000113.9D609 I611 P615D609-N613 WeakPolarHBondContact O-CB 3.27Å; D609-N613 PolarHBondContact O-ND2 2.8Å; I611-N613 VanDerWaalsContact C-N 3.32Å; I611-N613 PolarHBondContact O-N 2.97Å; N613-P615 VanDerWaalsContact O-CD 3.32Å; N613-P615 WeakPolarHBondContact O-CD 3.46Å
614D96.1Very high95.9Very high19 Ų1934.6 Ų34.610%0.10220%0.198CC..  trans-81.1113.7180-165.9-55.3000112Y568 K572 V610 I611 V616 V617 G618Y568-D614 HydrophobicContact CE2-CB 4.32Å; Y568-D614 PolarHBondContact OH-OD2 3.23Å; K572-D614 WeakPolarHBondContact CD-OD2 3.25Å; K572-D614 WeakPolarHBondContact CE-OD2 3.18Å; K572-D614 IonicContact NZ-OD1 3.25Å; K572-D614 PolarHBondContact NZ-OD1 2.82Å; K572-D614 IonicContact NZ-OD2 3.78Å; K572-D614 PolarHBondContact NZ-OD2 3.25Å; V610-D614 PolarHBondContact O-N 2.74Å; I611-D614 PolarHBondContact O-N 3.01Å; D614-V616 PolarHBondContact O-N 2.97Å; D614-V616 WeakPolarHBondContact OD1-CA 3.46Å; D614-V616 VanDerWaalsContact OD1-CB 3.23Å; D614-V616 WeakPolarHBondContact OD1-CB 3.32Å; D614-V616 PolarHBondContact OD1-N 2.7Å; D614-V617 HydrophobicContact CB-CB 4.12Å; D614-V617 HydrophobicContact CB-CG2 3.75Å; D614-V617 WeakPolarHBondContact O-CB 3.03Å; D614-V617 PolarHBondContact O-N 2.95Å; D614-V617 VanDerWaalsContact O-N 3.09Å; D614-V617 PolarHBondContact OD1-N 2.96Å; D614-G618 PolarHBondContact O-N 2.9Å
615P95.4Very high95.9Very high119 Ų11935 Ų3577%0.77320%0.2SC*.THydrogen-bonded Turntrans-70.3-16.3-175.529.4-35.9000113.5N613 V617N613-P615 VanDerWaalsContact O-CD 3.32Å; N613-P615 WeakPolarHBondContact O-CD 3.46Å; P615-V617 VanDerWaalsContact C-N 3.35Å
616V95.9Very high95.9Very high53 Ų5334 Ų3432%0.32120%0.195SC..THydrogen-bonded Turntrans-78.3-26.7175.4-171.50000111K572 P575 D614 K620K572-V616 HydrophobicContact CD-CB 4.29Å; P575-V616 HydrophobicContact CB-CG1 3.59Å; P575-V616 HydrophobicContact CG-CG1 3.43Å; P575-V616 VanDerWaalsContact CG-CG1 3.43Å; D614-V616 PolarHBondContact O-N 2.97Å; D614-V616 WeakPolarHBondContact OD1-CA 3.46Å; D614-V616 VanDerWaalsContact OD1-CB 3.23Å; D614-V616 WeakPolarHBondContact OD1-CB 3.32Å; D614-V616 PolarHBondContact OD1-N 2.7Å; V616-K620 PolarHBondContact O-NZ 3.28Å
617V95.2Very high95.9Very high1 Ų136 Ų361%0.00620%0.203CC..THydrogen-bonded Turntrans-83.2-49175.5-176.60000110.5Y568 I571 K572 D614 P615 D619 K620 L621Y568-V617 HydrophobicContact CD2-CG2 3.77Å; Y568-V617 HydrophobicContact CE2-CG2 3.93Å; I571-V617 HydrophobicContact CG2-CG2 4.15Å; K572-V617 HydrophobicContact CD-CG2 4.19Å; D614-V617 HydrophobicContact CB-CB 4.12Å; D614-V617 HydrophobicContact CB-CG2 3.75Å; D614-V617 WeakPolarHBondContact O-CB 3.03Å; D614-V617 PolarHBondContact O-N 2.95Å; D614-V617 VanDerWaalsContact O-N 3.09Å; D614-V617 PolarHBondContact OD1-N 2.96Å; P615-V617 VanDerWaalsContact C-N 3.35Å; V617-D619 PolarHBondContact O-N 3.05Å; V617-K620 WeakPolarHBondContact O-CB 3.4Å; V617-K620 WeakPolarHBondContact O-CD 3.36Å; V617-K620 VanDerWaalsContact O-CG 3.28Å; V617-K620 WeakPolarHBondContact O-CG 3.36Å; V617-K620 PolarHBondContact O-N 3.02Å; V617-K620 VanDerWaalsContact O-N 3.13Å; V617-L621 HydrophobicContact CG1-CB 3.72Å; V617-L621 WeakPolarHBondContact CG1-O 3.22Å
618G91.1Very high95.7Very high29 Ų2936.7 Ų36.730%0.29921%0.207SC..THydrogen-bonded Turntrans62.3-119.4175.700000113.1D614 K622D614-G618 PolarHBondContact O-N 2.9Å; G618-K622 VanDerWaalsContact O-CE 3.31Å; G618-K622 WeakPolarHBondContact O-CE 3.44Å; G618-K622 PolarHBondContact O-NZ 2.88Å
619D91.4Very high95.7Very high79 Ų7938.5 Ų38.542%0.42221%0.213SC..THydrogen-bonded Turntrans-95.5-7.7177.381.8-46.9000113.6N539 V617 L621N539-D619 HydrophobicContact CB-CB 4.42Å; N539-D619 PolarHBondContact ND2-OD2 3.21Å; V617-D619 PolarHBondContact O-N 3.05Å; D619-L621 PolarHBondContact O-N 3.39Å
620K93.5Very high95.6Very high57 Ų5737.3 Ų37.325%0.24820%0.201CC..SBendtrans-61.2-30.9-177-63.1169.9-169.11650112.4I571 P575 V579 P581 R582 V616 V617I571-K620 HydrophobicContact CD1-CB 4.17Å; I571-K620 HydrophobicContact CG2-CD 4.16Å; P575-K620 PolarHBondContact O-NZ 3.11Å; V579-K620 HydrophobicContact CG2-CB 3.74Å; V579-K620 HydrophobicContact CG2-CD 3.97Å; V579-K620 HydrophobicContact CG2-CG 3.82Å; P581-K620 VanDerWaalsContact CA-O 3.31Å; P581-K620 WeakPolarHBondContact CA-O 3.5Å; R582-K620 PolarHBondContact N-O 3.46Å; R582-K620 VanDerWaalsContact N-O 3.13Å; V616-K620 PolarHBondContact O-NZ 3.28Å; V617-K620 WeakPolarHBondContact O-CB 3.4Å; V617-K620 WeakPolarHBondContact O-CD 3.36Å; V617-K620 VanDerWaalsContact O-CG 3.28Å; V617-K620 WeakPolarHBondContact O-CG 3.36Å; V617-K620 PolarHBondContact O-N 3.02Å; V617-K620 VanDerWaalsContact O-N 3.13Å
621L95.8Very high95.2Very high1 Ų135.7 Ų35.71%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-150.7124.5177.1178.360.9000109.5V564 M567 I571 R582 V584 I611 V617 D619V564-L621 HydrophobicContact CG1-CD1 4.41Å; V564-L621 HydrophobicContact CG1-CD2 4.11Å; M567-L621 HydrophobicContact CB-CD2 3.85Å; M567-L621 HydrophobicContact CE-CD1 3.52Å; M567-L621 HydrophobicContact CE-CD2 4.28Å; I571-L621 HydrophobicContact CD1-CB 4.12Å; R582-L621 HydrophobicContact CB-CD1 4.19Å; R582-L621 WeakPolarHBondContact O-CA 3.35Å; V584-L621 HydrophobicContact CG2-CD1 3.98Å; I611-L621 HydrophobicContact CD1-CD2 4.31Å; I611-L621 HydrophobicContact CG2-CB 4.5Å; I611-L621 HydrophobicContact CG2-CD2 4.11Å; I611-L621 HydrophobicContact CG2-CG 3.91Å; V617-L621 HydrophobicContact CG1-CB 3.72Å; V617-L621 WeakPolarHBondContact CG1-O 3.22Å; D619-L621 PolarHBondContact O-N 3.39Å
622K96.7Very high95Very high33 Ų3335.9 Ų35.914%0.14319%0.193CC..EExtended strand (participates in β ladder)trans-117.6145.7161.2-64.5-59.2-168.4-160.20109.4R582 V584 N612 G618R582-K622 PolarHBondContact O-N 3.4Å; V584-K622 PolarHBondContact N-O 2.84Å; N612-K622 HydrophobicContact CB-CD 4.29Å; N612-K622 PolarHBondContact O-NZ 3.19Å; N612-K622 WeakPolarHBondContact OD1-CA 3.38Å; N612-K622 WeakPolarHBondContact OD1-CD 3.35Å; G618-K622 VanDerWaalsContact O-CE 3.31Å; G618-K622 WeakPolarHBondContact O-CE 3.44Å; G618-K622 PolarHBondContact O-NZ 2.88Å
623L97.8Very high94.9Very high0 Ų034.8 Ų34.80%019%0.187CC..EExtended strand (participates in β ladder)trans-120.2128.5170.517563.1000108L561 V564 V584 I586 I604 V607 A608 I611 N612L561-L623 HydrophobicContact CD1-CD2 3.59Å; V564-L623 HydrophobicContact CG1-CB 4.3Å; V564-L623 HydrophobicContact CG1-CD1 4.4Å; V564-L623 HydrophobicContact CG1-CD2 4.12Å; V564-L623 HydrophobicContact CG2-CD1 4.42Å; V584-L623 HydrophobicContact CB-CD1 4.05Å; V584-L623 HydrophobicContact CG1-CD1 4.05Å; V584-L623 CarbonylContact O-C 3.58Å; V584-L623 WeakPolarHBondContact O-CA 3.46Å; I586-L623 HydrophobicContact CD1-CD1 4.14Å; I586-L623 HydrophobicContact CG1-CD1 4.33Å; I604-L623 HydrophobicContact CG2-CD1 4.46Å; I604-L623 HydrophobicContact CG2-CD2 4.33Å; V607-L623 HydrophobicContact CB-CD2 4.3Å; V607-L623 HydrophobicContact CG1-CD2 3.91Å; A608-L623 HydrophobicContact CB-CB 4.09Å; A608-L623 HydrophobicContact CB-CD2 3.97Å; A608-L623 HydrophobicContact CB-CG 3.87Å; A608-L623 WeakPolarHBondContact CB-O 3.14Å; I611-L623 HydrophobicContact CD1-CD2 4.46Å; N612-L623 PolarHBondContact ND2-O 3.02Å; N612-L623 PolarHBondContact OD1-N 2.8Å; N612-L623 PolarHBondContact OD1-O 3.33Å
624I97.5Very high94.7Very high2 Ų228.8 Ų28.81%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-128.9130-176.3-55.4175.8000108.5L530 I536 V538 V584 M585 I586 L626L530-I624 HydrophobicContact CD1-CD1 4.33Å; L530-I624 HydrophobicContact CD2-CD1 4.43Å; L530-I624 HydrophobicContact CD2-CG2 4.34Å; I536-I624 HydrophobicContact CD1-CG1 4.31Å; I536-I624 HydrophobicContact CD1-CG2 4.47Å; I536-I624 HydrophobicContact CG2-CD1 4.24Å; I536-I624 HydrophobicContact CG2-CG1 4.49Å; V538-I624 HydrophobicContact CG2-CD1 3.56Å; V584-I624 PolarHBondContact O-N 2.96Å; M585-I624 WeakPolarHBondContact CA-O 3.44Å; M585-I624 HydrophobicContact CG-CB 4.48Å; I586-I624 PolarHBondContact N-O 2.88Å; I624-L626 HydrophobicContact CG2-CD2 4.27Å
625Y98Very high94.3Very high9 Ų933 Ų334%0.03517%0.174CC..EExtended strand (participates in β ladder)trans-90.4120.8167.5-170.4-88.5000109.6Q166 I168 Y534 I586 G588 I601 I604 N605 E627Q166-Y625 PolarHBondContact NE2-OH 3.46Å; I168-Y625 HydrophobicContact CD1-CD1 4.02Å; I168-Y625 HydrophobicContact CD1-CE1 3.66Å; I168-Y625 HydrophobicContact CG1-CD1 3.91Å; I168-Y625 HydrophobicContact CG1-CE1 3.98Å; Y534-Y625 WeakPolarHBondContact CE1-O 3.42Å; I586-Y625 CarbonylContact O-C 3.59Å; I586-Y625 WeakPolarHBondContact O-CA 3.35Å; G588-Y625 PolarHBondContact O-OH 3.33Å; I601-Y625 HydrophobicContact CB-CE2 4.32Å; I601-Y625 WeakPolarHBondContact CD1-OH 3.35Å; I601-Y625 HydrophobicContact CG1-CE2 4.05Å; I601-Y625 WeakPolarHBondContact CG1-OH 3.31Å; I601-Y625 HydrophobicContact CG2-CE1 4.2Å; I601-Y625 HydrophobicContact CG2-CE2 3.9Å; I604-Y625 HydrophobicContact CB-CD2 4.22Å; I604-Y625 HydrophobicContact CD1-CD2 4.4Å; I604-Y625 HydrophobicContact CD1-CE2 4.37Å; I604-Y625 HydrophobicContact CG2-CD2 3.86Å; N605-Y625 VanDerWaalsContact OD1-CB 3.29Å; N605-Y625 WeakPolarHBondContact OD1-CB 3.35Å; Y625-E627 PolarHBondContact O-N 3.36Å
626L97.7Very high94.1Very high0 Ų030.6 Ų30.60%015%0.152CC..EExtended strand (participates in β ladder)trans-87.698.2179.9-66.2176000110.2W529 L530 Y534 V548 M585 I586 I624 L633 I637W529-L626 HydrophobicContact CZ3-CD2 4.25Å; L530-L626 HydrophobicContact CD2-CD2 3.89Å; Y534-L626 HydrophobicContact CE2-CD2 4.28Å; V548-L626 HydrophobicContact CG1-CD1 3.72Å; M585-L626 HydrophobicContact CB-CD1 3.88Å; M585-L626 HydrophobicContact CB-CG 4.22Å; I586-L626 PolarHBondContact O-N 2.74Å; I624-L626 HydrophobicContact CG2-CD2 4.27Å; L626-L633 HydrophobicContact CB-CD2 4.12Å; L626-I637 HydrophobicContact CD1-CG1 3.97Å; L626-I637 HydrophobicContact CD1-CG2 4.17Å
627E96.6Very high94Very high62 Ų6228.1 Ų28.129%0.2914%0.137SC..THydrogen-bonded Turntrans-62.6145176.7-179.7174.6119.700112.4Q166 I168 Y534 Y625 Y629 L633Q166-E627 WeakPolarHBondContact O-CG 3.3Å; I168-E627 WeakPolarHBondContact CB-OE2 3.28Å; I168-E627 HydrophobicContact CG1-CB 4.23Å; I168-E627 HydrophobicContact CG1-CG 4.19Å; I168-E627 WeakPolarHBondContact CG1-OE2 3.26Å; I168-E627 PolarHBondContact N-OE2 3.12Å; Y534-E627 HydrophobicContact CE1-CB 4.18Å; Y534-E627 PolarHBondContact OH-N 3.45Å; Y625-E627 PolarHBondContact O-N 3.36Å; E627-Y629 VanDerWaalsContact C-N 3.31Å; E627-Y629 PolarHBondContact O-N 2.76Å; E627-L633 WeakPolarHBondContact O-CD2 3.4Å
628N95.4Very high93.9Very high16 Ų1628.4 Ų28.49%0.08614%0.138CC..THydrogen-bonded Turntrans51.945.1173.6-158.132.3000114.1Q166 K589 R630Q166-N628 HydrophobicContact CB-CB 4.33Å; Q166-N628 PolarHBondContact N-OD1 3.31Å; Q166-N628 VanDerWaalsContact N-OD1 3.17Å; Q166-N628 WeakPolarHBondContact O-CB 3.19Å; K589-N628 WeakPolarHBondContact CE-OD1 3.39Å; K589-N628 PolarHBondContact NZ-OD1 3.37Å; N628-R630 PolarHBondContact ND2-NH1 3.46Å; N628-R630 WeakPolarHBondContact O-CG 3.27Å; N628-R630 PolarHBondContact O-N 2.69Å; N628-R630 PolarHBondContact O-NH1 3.4Å
629Y96Very high93.9Very high42 Ų4228.3 Ų28.317%0.16513%0.132CC..  trans-57.2121.6174.3179.9-110.5000111.9V548 E627 L633 A634V548-Y629 HydrophobicContact CB-CD1 4.37Å; V548-Y629 HydrophobicContact CB-CD2 3.88Å; V548-Y629 HydrophobicContact CB-CE1 4.04Å; V548-Y629 HydrophobicContact CB-CE2 3.52Å; V548-Y629 HydrophobicContact CB-CG 4.3Å; V548-Y629 HydrophobicContact CG1-CD2 4.07Å; V548-Y629 HydrophobicContact CG1-CE2 4.09Å; V548-Y629 HydrophobicContact CG2-CD2 4.47Å; V548-Y629 HydrophobicContact CG2-CE2 3.68Å; E627-Y629 VanDerWaalsContact C-N 3.31Å; E627-Y629 PolarHBondContact O-N 2.76Å; Y629-L633 HydrophobicContact CD2-CB 4.27Å; Y629-L633 HydrophobicContact CD2-CD2 4.19Å; Y629-L633 HydrophobicContact CD2-CG 4.18Å; Y629-A634 HydrophobicContact CE2-CB 3.69Å
630R93.4Very high94.1Very high65 Ų6524.6 Ų24.625%0.24511%0.113CC..SBendtrans-154.9-175.2-173.366.3-168.6-167.6-84.52.4109.7Y88 D126 N628 L633 A634Y88-R630 HydrophobicContact CE2-CB 4.25Å; Y88-R630 VanDerWaalsContact OH-CA 3.3Å; Y88-R630 WeakPolarHBondContact OH-CA 3.41Å; Y88-R630 WeakPolarHBondContact OH-CB 3.32Å; D126-R630 VanDerWaalsContact CG-CD 3.5Å; D126-R630 VanDerWaalsContact OD1-CD 3.27Å; D126-R630 WeakPolarHBondContact OD1-CD 3.44Å; D126-R630 IonicContact OD1-CZ 2.71Å; D126-R630 IonicContact OD1-NE 3.28Å; D126-R630 PolarHBondContact OD1-NE 2.65Å; D126-R630 IonicContact OD1-NH2 2.79Å; D126-R630 WeakPolarHBondContact OD2-CG 3.36Å; D126-R630 IonicContact OD2-NE 3.54Å; N628-R630 PolarHBondContact ND2-NH1 3.46Å; N628-R630 WeakPolarHBondContact O-CG 3.27Å; N628-R630 PolarHBondContact O-N 2.69Å; N628-R630 PolarHBondContact O-NH1 3.4Å; R630-L633 HydrophobicContact CG-CB 4.43Å; R630-L633 PolarHBondContact O-N 3.24Å; R630-A634 PolarHBondContact O-N 2.61Å
631V89.4Confident94.2Very high8 Ų821.9 Ų21.95%0.04810%0.101CC..Hα-helixtrans-61.5-50.8-175.9168.80000111.5Y88 D126 L633 A634 E635Y88-V631 HydrophobicContact CD2-CB 4.43Å; Y88-V631 HydrophobicContact CD2-CG2 3.45Å; Y88-V631 VanDerWaalsContact CD2-CG2 3.45Å; Y88-V631 HydrophobicContact CE2-CB 4.43Å; Y88-V631 HydrophobicContact CE2-CG2 3.8Å; Y88-V631 HydrophobicContact CG-CG2 4.07Å; D126-V631 PolarHBondContact OD2-N 2.83Å; V631-L633 PolarHBondContact O-N 3.39Å; V631-A634 WeakPolarHBondContact O-CB 3.33Å; V631-A634 PolarHBondContact O-N 2.9Å; V631-E635 WeakPolarHBondContact CG1-OE1 3.22Å; V631-E635 WeakPolarHBondContact O-CG 3.47Å; V631-E635 PolarHBondContact O-N 3.2Å
632T90.9Very high94.2Very high4 Ų422.2 Ų22.23%0.02510%0.102CC..Hα-helixtrans-52.5-39.9174.8-65.90000113.1R91 D126 K636R91-T632 VanDerWaalsContact CZ-CG2 3.47Å; R91-T632 PolarHBondContact NE-OG1 2.6Å; R91-T632 VanDerWaalsContact NH1-CG2 3.34Å; D126-T632 WeakPolarHBondContact OD1-CB 3.18Å; D126-T632 PolarHBondContact OD1-OG1 2.93Å; D126-T632 PolarHBondContact OD2-N 3.25Å; D126-T632 PolarHBondContact OD2-OG1 2.83Å; T632-K636 PolarHBondContact O-N 3.28Å
633L94.1Very high94.1Very high3 Ų320.6 Ų20.62%0.01610%0.096CC..Hα-helixtrans-73.4-37.4179.6-175.154.2000111.9W529 L626 E627 Y629 R630 V631 E635 K636 I637W529-L633 HydrophobicContact CH2-CD1 3.13Å; W529-L633 HydrophobicContact CH2-CD2 4.45Å; W529-L633 HydrophobicContact CH2-CG 4.43Å; W529-L633 HydrophobicContact CZ2-CD1 3.57Å; W529-L633 HydrophobicContact CZ3-CD1 3.7Å; L626-L633 HydrophobicContact CB-CD2 4.12Å; E627-L633 WeakPolarHBondContact O-CD2 3.4Å; Y629-L633 HydrophobicContact CD2-CB 4.27Å; Y629-L633 HydrophobicContact CD2-CD2 4.19Å; Y629-L633 HydrophobicContact CD2-CG 4.18Å; R630-L633 HydrophobicContact CG-CB 4.43Å; R630-L633 PolarHBondContact O-N 3.24Å; V631-L633 PolarHBondContact O-N 3.39Å; L633-E635 VanDerWaalsContact C-N 3.29Å; L633-E635 PolarHBondContact O-N 2.95Å; L633-K636 PolarHBondContact O-N 3Å; L633-I637 HydrophobicContact CD1-CD1 3.79Å; L633-I637 HydrophobicContact CD1-CG1 4.34Å; L633-I637 WeakPolarHBondContact O-CB 3.41Å; L633-I637 PolarHBondContact O-N 2.87Å; L633-I637 VanDerWaalsContact O-N 3.08Å
634A91.7Very high94.1Very high3 Ų320.6 Ų20.63%0.02510%0.096CC..Hα-helixtrans-61.2-39.8174.900000111.7Y629 R630 V631 K636 I637 I638Y629-A634 HydrophobicContact CE2-CB 3.69Å; R630-A634 PolarHBondContact O-N 2.61Å; V631-A634 WeakPolarHBondContact O-CB 3.33Å; V631-A634 PolarHBondContact O-N 2.9Å; A634-K636 VanDerWaalsContact C-N 3.32Å; A634-K636 PolarHBondContact O-N 2.93Å; A634-I637 PolarHBondContact O-N 3.02Å; A634-I638 HydrophobicContact CB-CD1 3.88Å; A634-I638 VanDerWaalsContact O-CB 3.24Å; A634-I638 WeakPolarHBondContact O-CB 3.44Å; A634-I638 WeakPolarHBondContact O-CG1 3.19Å; A634-I638 PolarHBondContact O-N 3.1Å
635E87.5Confident94.1Very high106 Ų10620.5 Ų20.550%0.49510%0.095SC..Hα-helixtrans-64.9-32179-72.7162.1177.400113V631 L633 P639V631-E635 WeakPolarHBondContact CG1-OE1 3.22Å; V631-E635 WeakPolarHBondContact O-CG 3.47Å; V631-E635 PolarHBondContact O-N 3.2Å; L633-E635 VanDerWaalsContact C-N 3.29Å; L633-E635 PolarHBondContact O-N 2.95Å; E635-P639 WeakPolarHBondContact O-CD 3.46Å; E635-P639 VanDerWaalsContact O-CG 3.25Å; E635-P639 WeakPolarHBondContact O-CG 3.34Å
636K89.9Confident94Very high69 Ų6920.3 Ų20.330%0.310%0.095SC..Hα-helixtrans-79.1-39.1174.2-64.5-177-173-61.80113.2E122 W529 T632 L633 A634E122-K636 WeakPolarHBondContact OE1-CE 3.49Å; E122-K636 IonicContact OE1-NZ 2.69Å; E122-K636 PolarHBondContact OE1-NZ 2.75Å; E122-K636 IonicContact OE2-NZ 3.45Å; W529-K636 HydrophobicContact CD2-CD 4.45Å; W529-K636 HydrophobicContact CG-CD 4.3Å; T632-K636 PolarHBondContact O-N 3.28Å; L633-K636 PolarHBondContact O-N 3Å; A634-K636 VanDerWaalsContact C-N 3.32Å; A634-K636 PolarHBondContact O-N 2.93Å
637I95Very high93.9Very high2 Ų220.3 Ų20.31%0.0110%0.095CC..Hα-helixtrans-90.5-33.4-169.3-93.652000113.7W529 I546 L626 L633 A634 A640 A641W529-I637 HydrophobicContact CE3-CD1 3.84Å; W529-I637 HydrophobicContact CZ3-CD1 3.71Å; I546-I637 HydrophobicContact CD1-CG2 3.82Å; I546-I637 HydrophobicContact CG2-CG2 3.81Å; L626-I637 HydrophobicContact CD1-CG1 3.97Å; L626-I637 HydrophobicContact CD1-CG2 4.17Å; L633-I637 HydrophobicContact CD1-CD1 3.79Å; L633-I637 HydrophobicContact CD1-CG1 4.34Å; L633-I637 WeakPolarHBondContact O-CB 3.41Å; L633-I637 PolarHBondContact O-N 2.87Å; L633-I637 VanDerWaalsContact O-N 3.08Å; A634-I637 PolarHBondContact O-N 3.02Å; I637-A640 PolarHBondContact O-N 3.15Å; I637-A641 PolarHBondContact O-N 3.44Å
638I92.9Very high93.7Very high6 Ų617.5 Ų17.53%0.0318%0.081CC..THydrogen-bonded Turntrans-64.3-44.2-178.6-67.5173.1000112.6A634 A640 A641 K661 F662 N665A634-I638 HydrophobicContact CB-CD1 3.88Å; A634-I638 VanDerWaalsContact O-CB 3.24Å; A634-I638 WeakPolarHBondContact O-CB 3.44Å; A634-I638 WeakPolarHBondContact O-CG1 3.19Å; A634-I638 PolarHBondContact O-N 3.1Å; I638-A640 PolarHBondContact O-N 3.17Å; I638-A641 PolarHBondContact O-N 2.71Å; I638-K661 HydrophobicContact CD1-CB 3.92Å; I638-K661 HydrophobicContact CD1-CD 3.84Å; I638-K661 HydrophobicContact CG2-CB 4.16Å; I638-F662 HydrophobicContact CB-CD1 4.31Å; I638-F662 HydrophobicContact CB-CE1 4.1Å; I638-F662 HydrophobicContact CG1-CD1 4.23Å; I638-F662 HydrophobicContact CG1-CE1 3.74Å; I638-F662 HydrophobicContact CG1-CE2 4.39Å; I638-F662 HydrophobicContact CG1-CZ 3.84Å; I638-F662 HydrophobicContact CG2-CD1 3.84Å; I638-F662 HydrophobicContact CG2-CE1 4.15Å; I638-F662 HydrophobicContact CG2-CG 4.35Å; I638-N665 HydrophobicContact CG2-CB 3.94Å
639P91.8Very high93.5Very high28 Ų2816.9 Ų16.918%0.1828%0.079CC..THydrogen-bonded Turntrans-64.3-25.1178.3-23.235.2000114K519 N522 E635 N665K519-P639 PolarHBondContact NZ-O 3.28Å; N522-P639 HydrophobicContact CB-CB 4.25Å; N522-P639 WeakPolarHBondContact ND2-CB 3.41Å; N522-P639 PolarHBondContact ND2-O 2.84Å; E635-P639 WeakPolarHBondContact O-CD 3.46Å; E635-P639 VanDerWaalsContact O-CG 3.25Å; E635-P639 WeakPolarHBondContact O-CG 3.34Å; P639-N665 WeakPolarHBondContact CA-OD1 2.99Å
640A95Very high93.2Very high1 Ų115.2 Ų15.21%0.0087%0.073CC..THydrogen-bonded Turntrans-86.7-15.4-179.500000114.3N522 K523 A526 F544 I637 I638N522-A640 HydrophobicContact CB-CB 4.46Å; K523-A640 WeakPolarHBondContact CD-O 3.24Å; K523-A640 HydrophobicContact CG-CB 4.12Å; K523-A640 WeakPolarHBondContact CG-O 3.42Å; A526-A640 HydrophobicContact CB-CB 3.53Å; F544-A640 HydrophobicContact CD2-CB 4.2Å; F544-A640 WeakPolarHBondContact CD2-O 3.34Å; F544-A640 HydrophobicContact CE2-CB 4.41Å; I637-A640 PolarHBondContact O-N 3.15Å; I638-A640 PolarHBondContact O-N 3.17Å
641A95Very high92.8Very high0 Ų013.2 Ų13.20%07%0.073CC..  trans-67.2139.7-175.700000113.2K519 I546 I637 I638 F662 A667K519-A641 WeakPolarHBondContact CE-O 3.25Å; K519-A641 PolarHBondContact NZ-O 2.71Å; I546-A641 HydrophobicContact CB-CB 4.42Å; I546-A641 HydrophobicContact CD1-CB 3.84Å; I546-A641 HydrophobicContact CG1-CB 4.08Å; I637-A641 PolarHBondContact O-N 3.44Å; I638-A641 PolarHBondContact O-N 2.71Å; A641-F662 HydrophobicContact CB-CD1 3.73Å; A641-F662 HydrophobicContact CB-CE1 3.48Å; A641-F662 VanDerWaalsContact CB-CE1 3.48Å; A641-A667 HydrophobicContact CB-CB 3.87Å; A641-A667 WeakPolarHBondContact O-CB 3.5Å
642D95.2Very high92.7Very high7 Ų713.9 Ų13.94%0.0378%0.077CC..SBendtrans-92-39.2165.4-63.6-54.6000110.5K523 M543 F544 A667 L668 W785K523-D642 IonicContact NZ-OD1 3.4Å; K523-D642 IonicContact NZ-OD2 2.87Å; K523-D642 PolarHBondContact NZ-OD2 3.4Å; M543-D642 WeakPolarHBondContact CA-OD2 3.36Å; M543-D642 HydrophobicContact CG-CB 4.16Å; F544-D642 PolarHBondContact N-OD2 3.01Å; F544-D642 PolarHBondContact O-N 3.4Å; F544-D642 VanDerWaalsContact O-N 3.08Å; D642-A667 WeakPolarHBondContact O-CA 3.22Å; D642-L668 PolarHBondContact O-N 3.32Å; D642-W785 HydrophobicContact CB-CZ2 4.01Å; D642-W785 WeakPolarHBondContact O-CZ2 3.26Å
643L95.8Very high92.4Very high0 Ų015 Ų150%08%0.082CC..EExtended strand (participates in β ladder)trans-132.1134.7-173.2179.857.4000111.7M543 F544 D545 I546 L668 I670 L767M543-L643 HydrophobicContact SD-CD2 4.07Å; F544-L643 PolarHBondContact O-N 3.21Å; D545-L643 HydrophobicContact CB-CD2 4.49Å; I546-L643 PolarHBondContact N-O 2.92Å; L643-L668 CarbonylContact C-O 3.59Å; L643-L668 WeakPolarHBondContact CA-O 3.19Å; L643-L668 VanDerWaalsContact CD1-O 3.31Å; L643-L668 WeakPolarHBondContact CD1-O 3.39Å; L643-I670 HydrophobicContact CD1-CB 3.86Å; L643-I670 HydrophobicContact CD1-CG2 3.52Å; L643-I670 HydrophobicContact CD2-CG2 4.16Å; L643-I670 HydrophobicContact CG-CG2 3.9Å; L643-L767 HydrophobicContact CD1-CD1 3.54Å; L643-L767 HydrophobicContact CD2-CD1 3.53Å; L643-L767 HydrophobicContact CD2-CD2 4.17Å; L643-L767 HydrophobicContact CG-CD1 4.18Å
644S96.9Very high91.8Very high0 Ų015.3 Ų15.30%09%0.085CC..EExtended strand (participates in β ladder)trans-115117.2-176.2163.10000110.6Q646 F662 L668 I670S644-Q646 PolarHBondContact O-N 3.45Å; S644-Q646 WeakPolarHBondContact OG-CG 3.42Å; S644-Q646 PolarHBondContact OG-NE2 2.88Å; S644-F662 WeakPolarHBondContact OG-CD2 3.48Å; S644-F662 WeakPolarHBondContact OG-CG 3.46Å; S644-L668 PolarHBondContact N-O 2.83Å; S644-I670 PolarHBondContact O-N 2.88Å
645Q97.2Very high91.5Very high0 Ų015.8 Ų15.80%09%0.088CC..EExtended strand (participates in β ladder)trans-89100.5-177.6-67.5-76.4-12.900111.6D545 I546 Q547 I647 I670 M764D545-Q645 WeakPolarHBondContact OD1-CG 3.27Å; D545-Q645 PolarHBondContact OD1-NE2 3.18Å; I546-Q645 PolarHBondContact O-N 3.23Å; Q547-Q645 HydrophobicContact CB-CB 3.66Å; Q547-Q645 HydrophobicContact CB-CG 4.16Å; Q547-Q645 HydrophobicContact CG-CB 3.79Å; Q645-I647 HydrophobicContact CB-CG2 4.43Å; Q645-I647 VanDerWaalsContact OE1-CG2 3.24Å; Q645-I670 VanDerWaalsContact CD-CG2 3.48Å; Q645-I670 HydrophobicContact CG-CG2 4.28Å; Q645-M764 VanDerWaalsContact NE2-CE 3.34Å
646Q96.3Very high91.2Very high5 Ų511.5 Ų11.52%0.0237%0.072CC..EExtended strand (participates in β ladder)trans-115.354.1-176.8-53.6-58.5-22.400110.6K549 S644 S648 N659 T669 I670 G671 T672 N677K549-Q646 VanDerWaalsContact CE-OE1 3.25Å; S644-Q646 PolarHBondContact O-N 3.45Å; S644-Q646 WeakPolarHBondContact OG-CG 3.42Å; S644-Q646 PolarHBondContact OG-NE2 2.88Å; Q646-S648 PolarHBondContact O-N 2.92Å; Q646-N659 HydrophobicContact CB-CB 4.44Å; Q646-N659 HydrophobicContact CG-CB 3.64Å; Q646-T669 HydrophobicContact CB-CG2 3.94Å; Q646-T669 HydrophobicContact CG-CG2 3.77Å; Q646-I670 PolarHBondContact N-O 3.11Å; Q646-G671 WeakPolarHBondContact O-CA 3.4Å; Q646-T672 PolarHBondContact O-N 2.88Å; Q646-N677 PolarHBondContact O-ND2 3.31Å
647I95.6Very high90.9Very high0 Ų010 Ų100%07%0.069CC..  trans-98.629.3-159.865.2175.5000114.6R556 L559 N560 Q645 F692R556-I647 HydrophobicContact CB-CG1 4.46Å; R556-I647 VanDerWaalsContact CZ-O 3.26Å; R556-I647 PolarHBondContact NE-O 2.94Å; R556-I647 PolarHBondContact NH2-O 3.08Å; R556-I647 WeakPolarHBondContact O-CD1 3.47Å; L559-I647 HydrophobicContact CB-CD1 4.08Å; L559-I647 HydrophobicContact CD2-CD1 4.31Å; L559-I647 HydrophobicContact CG-CD1 4.27Å; N560-I647 HydrophobicContact CB-CD1 3.86Å; Q645-I647 HydrophobicContact CB-CG2 4.43Å; Q645-I647 VanDerWaalsContact OE1-CG2 3.24Å; I647-F692 HydrophobicContact CB-CE1 4.36Å; I647-F692 HydrophobicContact CB-CZ 3.98Å; I647-F692 HydrophobicContact CG2-CE1 3.67Å; I647-F692 HydrophobicContact CG2-CZ 3.72Å
648S93.4Very high90.5Very high2 Ų211 Ų111%0.0148%0.079CC..PPolyproline II helixtrans-63160.3-179.6-65.20000112.3Y554 R556 Q646 E653 T672 D674Y554-S648 VanDerWaalsContact O-CA 3.23Å; Y554-S648 WeakPolarHBondContact O-CA 3.23Å; Y554-S648 WeakPolarHBondContact O-CB 3.34Å; R556-S648 PolarHBondContact NH2-O 2.66Å; R556-S648 VanDerWaalsContact NH2-O 3.1Å; Q646-S648 PolarHBondContact O-N 2.92Å; S648-E653 PolarHBondContact OG-OE2 2.99Å; S648-T672 WeakPolarHBondContact O-CB 3.45Å; S648-T672 VanDerWaalsContact O-CG2 3.24Å; S648-T672 WeakPolarHBondContact O-CG2 3.49Å; S648-T672 PolarHBondContact O-OG1 3.13Å; S648-D674 WeakPolarHBondContact CB-OD2 3.33Å
649T90.5Very high90.4Very high4 Ų410.8 Ų10.83%0.0258%0.078CC..PPolyproline II helixtrans-71.7130.3178.2-55.80000109.4Y554 R556 G651 T652 V699 C752Y554-T649 PolarHBondContact O-N 2.74Å; Y554-T649 VanDerWaalsContact O-N 3.17Å; R556-T649 VanDerWaalsContact CD-OG1 3.31Å; R556-T649 WeakPolarHBondContact CD-OG1 3.18Å; R556-T649 PolarHBondContact NE-OG1 3.35Å; T649-G651 PolarHBondContact O-N 3.49Å; T649-T652 HydrophobicContact CG2-CG2 4.43Å; T649-T652 PolarHBondContact N-OG1 3.29Å; T649-T652 WeakPolarHBondContact O-CB 3.26Å; T649-T652 WeakPolarHBondContact O-CG2 3.32Å; T649-T652 PolarHBondContact O-N 3.46Å; T649-T652 PolarHBondContact O-OG1 2.85Å; T649-V699 HydrophobicContact CG2-CG2 4.32Å; T649-C752 WeakPolarHBondContact CG2-O 3.33Å; T649-C752 PolarHBondContact OG1-O 3.21Å
650A89.3Confident90.4Very high6 Ų611.2 Ų11.25%0.058%0.078CC..THydrogen-bonded Turntrans-56.9125.5-175.300000111.6M694 V696 V699A650-M694 VanDerWaalsContact CB-O 3.25Å; A650-M694 WeakPolarHBondContact CB-O 3.44Å; A650-V696 HydrophobicContact CB-CG2 4.32Å; A650-V699 HydrophobicContact CB-CG2 4.49Å
651G86.2Confident90.3Very high23 Ų2314.1 Ų14.124%0.2379%0.091CC..THydrogen-bonded Turntrans8924-171.700000114.1V376 T649 D674V376-G651 WeakPolarHBondContact CG2-O 3.23Å; T649-G651 PolarHBondContact O-N 3.49Å; G651-D674 PolarHBondContact N-OD1 3.32Å
652T86.8Confident90.2Very high22 Ų2214.1 Ų14.114%0.1359%0.091CC..THydrogen-bonded Turntrans-131.7-32.7179.967.40000115.4L377 Y554 T649 A654 D674L377-T652 HydrophobicContact CD2-CG2 4.43Å; Y554-T652 VanDerWaalsContact CD2-OG1 3.27Å; Y554-T652 WeakPolarHBondContact CD2-OG1 3.35Å; Y554-T652 WeakPolarHBondContact CE2-O 3.22Å; T649-T652 HydrophobicContact CG2-CG2 4.43Å; T649-T652 PolarHBondContact N-OG1 3.29Å; T649-T652 WeakPolarHBondContact O-CB 3.26Å; T649-T652 WeakPolarHBondContact O-CG2 3.32Å; T649-T652 PolarHBondContact O-N 3.46Å; T649-T652 PolarHBondContact O-OG1 2.85Å; T652-A654 PolarHBondContact O-N 3.33Å; T652-D674 PolarHBondContact N-OD1 2.88Å; T652-D674 VanDerWaalsContact N-OD1 3.14Å
653E85.5Confident90.2Very high28 Ų2813.8 Ų13.813%0.1319%0.089CC..  trans-87103.9170.5-171.985.9-100.300109K549 Y554 K555 S648 S655 D674 G675K549-E653 IonicContact NZ-OE2 3.69Å; K549-E653 PolarHBondContact NZ-OE2 2.81Å; Y554-E653 HydrophobicContact CE2-CB 4.43Å; K555-E653 IonicContact NZ-OE1 2.94Å; K555-E653 PolarHBondContact NZ-OE1 3.43Å; K555-E653 IonicContact NZ-OE2 2.88Å; K555-E653 PolarHBondContact NZ-OE2 3.15Å; S648-E653 PolarHBondContact OG-OE2 2.99Å; E653-S655 PolarHBondContact O-N 3.03Å; E653-D674 WeakPolarHBondContact CB-OD2 3.42Å; E653-D674 PolarHBondContact N-OD1 2.85Å; E653-D674 PolarHBondContact N-OD2 3.03Å; E653-G675 WeakPolarHBondContact O-CA 3.43Å; E653-G675 PolarHBondContact O-N 2.71Å
654A81.2Confident89.9Confident10 Ų1017 Ų178%0.08311%0.106CC..SBendtrans-53.8-26.6-177.900000114.9H374 V455 A456 H459 T652H374-A654 WeakPolarHBondContact O-CB 3.3Å; V455-A654 HydrophobicContact CG2-CB 3.83Å; A456-A654 WeakPolarHBondContact CB-O 3.39Å; H459-A654 WeakPolarHBondContact CB-O 3.34Å; H459-A654 VanDerWaalsContact CD2-CA 3.46Å; H459-A654 WeakPolarHBondContact CD2-CA 3.1Å; H459-A654 WeakPolarHBondContact CD2-CB 3.21Å; H459-A654 WeakPolarHBondContact NE2-CB 3.41Å; T652-A654 PolarHBondContact O-N 3.33Å
655S84.3Confident89.6Confident13 Ų1319.7 Ų19.79%0.09112%0.12CC..  trans-163.4-59.8174.2-177.10000110.3V455 E653 N659 A676V455-S655 WeakPolarHBondContact O-CB 3.38Å; V455-S655 PolarHBondContact O-OG 3.3Å; E653-S655 PolarHBondContact O-N 3.03Å; S655-N659 PolarHBondContact O-ND2 3.44Å; S655-A676 WeakPolarHBondContact O-CB 3.22Å; S655-A676 PolarHBondContact O-N 3.06Å
656G81.2Confident89.3Confident16 Ų1619.8 Ų19.817%0.16512%0.121CC..  trans73.5139.5-167.700000111.6N659 M660G656-N659 PolarHBondContact O-OD1 3.49Å; G656-M660 WeakPolarHBondContact O-CE 3.07Å
657T84.6Confident89.1Confident38 Ų3819.5 Ų19.523%0.23312%0.12CC..SBendtrans-120.4-11.4178.251.80000113L137 N659 M660 K661L137-T657 HydrophobicContact CD1-CG2 4.31Å; T657-N659 WeakPolarHBondContact CA-OD1 3.06Å; T657-N659 PolarHBondContact N-OD1 3.25Å; T657-M660 HydrophobicContact CG2-SD 4.28Å; T657-K661 WeakPolarHBondContact O-CG 2.99Å; T657-K661 PolarHBondContact O-N 2.92Å
658G86.1Confident89.1Confident21 Ų2119.5 Ų19.522%0.21612%0.12CC..Hα-helixtrans-69.6-39175.700000112.5M660 K661 F662G658-M660 PolarHBondContact O-N 2.93Å; G658-K661 PolarHBondContact O-N 3.27Å; G658-F662 WeakPolarHBondContact O-CD2 3.36Å; G658-F662 PolarHBondContact O-N 2.99Å
659N91.1Very high89.2Confident2 Ų219.4 Ų19.41%0.01112%0.119CC..Hα-helixtrans-52.3-47.7171.554.2-8.3000112.4Q646 S655 G656 T657 K661 F662 M663 N677 M680Q646-N659 HydrophobicContact CB-CB 4.44Å; Q646-N659 HydrophobicContact CG-CB 3.64Å; S655-N659 PolarHBondContact O-ND2 3.44Å; G656-N659 PolarHBondContact O-OD1 3.49Å; T657-N659 WeakPolarHBondContact CA-OD1 3.06Å; T657-N659 PolarHBondContact N-OD1 3.25Å; N659-K661 PolarHBondContact O-N 3.22Å; N659-F662 PolarHBondContact O-N 3.13Å; N659-M663 WeakPolarHBondContact O-CB 3.46Å; N659-M663 PolarHBondContact O-N 3.46Å; N659-N677 PolarHBondContact ND2-OD1 2.68Å; N659-M680 HydrophobicContact CB-CE 4.02Å; N659-M680 HydrophobicContact CB-SD 3.59Å; N659-M680 VanDerWaalsContact CB-SD 3.59Å
660M92.1Very high89.4Confident37 Ų3719.2 Ų19.218%0.18212%0.118CC..Hα-helixtrans-60.1-45.3176.2-58.3169.3-175.700112G656 T657 G658 F662 M663 L664 A676 F799G656-M660 WeakPolarHBondContact O-CE 3.07Å; T657-M660 HydrophobicContact CG2-SD 4.28Å; G658-M660 PolarHBondContact O-N 2.93Å; M660-F662 PolarHBondContact O-N 3Å; M660-M663 PolarHBondContact O-N 2.83Å; M660-L664 PolarHBondContact O-N 2.99Å; M660-A676 HydrophobicContact CE-CB 3.47Å; M660-A676 VanDerWaalsContact CE-CB 3.47Å; M660-F799 HydrophobicContact CB-CB 4.07Å; M660-F799 HydrophobicContact CB-CG 4.49Å; M660-F799 HydrophobicContact CE-CD1 3.94Å; M660-F799 HydrophobicContact CG-CB 3.9Å; M660-F799 HydrophobicContact CG-CD1 4.03Å; M660-F799 HydrophobicContact CG-CG 3.97Å; M660-F799 HydrophobicContact SD-CB 4.02Å; M660-F799 HydrophobicContact SD-CD1 4.17Å; M660-F799 HydrophobicContact SD-CG 4.4Å
661K91.6Very high89.7Confident62 Ų6219 Ų1927%0.2712%0.115SC..Hα-helixtrans-62.3-42.1178-64.2177.3179.8-164.10112.3I638 T657 G658 N659 N665I638-K661 HydrophobicContact CD1-CB 3.92Å; I638-K661 HydrophobicContact CD1-CD 3.84Å; I638-K661 HydrophobicContact CG2-CB 4.16Å; T657-K661 WeakPolarHBondContact O-CG 2.99Å; T657-K661 PolarHBondContact O-N 2.92Å; G658-K661 PolarHBondContact O-N 3.27Å; N659-K661 PolarHBondContact O-N 3.22Å; K661-N665 WeakPolarHBondContact O-CB 3.13Å; K661-N665 PolarHBondContact O-N 2.8Å; K661-N665 VanDerWaalsContact O-N 3.12Å; K661-N665 PolarHBondContact O-ND2 3.34Å
662F93.6Very high90Very high1 Ų117.9 Ų17.90%0.00410%0.104CC..Hα-helixtrans-64.3-43.3176-80.6-61.7000112.3I546 V548 I638 A641 S644 G658 N659 M660 N665 G666 A667I546-F662 HydrophobicContact CB-CE1 4.47Å; I546-F662 HydrophobicContact CB-CZ 4.31Å; I546-F662 HydrophobicContact CG2-CE1 4.44Å; I546-F662 HydrophobicContact CG2-CZ 3.97Å; V548-F662 HydrophobicContact CG2-CE2 4.1Å; V548-F662 HydrophobicContact CG2-CZ 3.8Å; I638-F662 HydrophobicContact CB-CD1 4.31Å; I638-F662 HydrophobicContact CB-CE1 4.1Å; I638-F662 HydrophobicContact CG1-CD1 4.23Å; I638-F662 HydrophobicContact CG1-CE1 3.74Å; I638-F662 HydrophobicContact CG1-CE2 4.39Å; I638-F662 HydrophobicContact CG1-CZ 3.84Å; I638-F662 HydrophobicContact CG2-CD1 3.84Å; I638-F662 HydrophobicContact CG2-CE1 4.15Å; I638-F662 HydrophobicContact CG2-CG 4.35Å; A641-F662 HydrophobicContact CB-CD1 3.73Å; A641-F662 HydrophobicContact CB-CE1 3.48Å; A641-F662 VanDerWaalsContact CB-CE1 3.48Å; S644-F662 WeakPolarHBondContact OG-CD2 3.48Å; S644-F662 WeakPolarHBondContact OG-CG 3.46Å; G658-F662 WeakPolarHBondContact O-CD2 3.36Å; G658-F662 PolarHBondContact O-N 2.99Å; N659-F662 PolarHBondContact O-N 3.13Å; M660-F662 PolarHBondContact O-N 3Å; F662-N665 CarbonylContact O-C 3.05Å; F662-N665 PolarHBondContact O-N 3.1Å; F662-N665 VanDerWaalsContact O-N 3.16Å; F662-G666 PolarHBondContact O-N 2.88Å; F662-G666 VanDerWaalsContact O-N 3.15Å; F662-A667 HydrophobicContact CB-CB 4.11Å; F662-A667 HydrophobicContact CD1-CB 3.97Å; F662-A667 HydrophobicContact CG-CB 4.47Å; F662-A667 PolarHBondContact O-N 2.99Å
663M94.3Very high90.2Very high0 Ų019.5 Ų19.50%011%0.112CC..Hα-helixtrans-60.1-47.5176.4177.8-178.617600112.1N659 M660 N665 G666 M680 M684 N792 S795 F799N659-M663 WeakPolarHBondContact O-CB 3.46Å; N659-M663 PolarHBondContact O-N 3.46Å; M660-M663 PolarHBondContact O-N 2.83Å; M663-N665 PolarHBondContact O-N 3.39Å; M663-G666 PolarHBondContact O-N 3.04Å; M663-M680 HydrophobicContact CB-CE 3.92Å; M663-M680 HydrophobicContact CG-CE 4.39Å; M663-M680 HydrophobicContact SD-CB 4.2Å; M663-M680 HydrophobicContact SD-CE 3.9Å; M663-M680 HydrophobicContact SD-CG 3.78Å; M663-M680 HydrophobicContact SD-SD 4.41Å; M663-M684 HydrophobicContact CE-CB 4.02Å; M663-M684 HydrophobicContact CE-CE 3.66Å; M663-M684 HydrophobicContact CG-CE 3.96Å; M663-M684 HydrophobicContact SD-CE 3.53Å; M663-M684 VanDerWaalsContact SD-CE 3.53Å; M663-N792 WeakPolarHBondContact CE-O 3.5Å; M663-N792 HydrophobicContact CG-CB 4.05Å; M663-N792 WeakPolarHBondContact CG-O 3.35Å; M663-S795 VanDerWaalsContact CE-C 3.48Å; M663-S795 WeakPolarHBondContact CE-O 3.48Å; M663-F799 HydrophobicContact CE-CD2 4.42Å; M663-F799 HydrophobicContact CE-CE2 3.98Å; M663-F799 HydrophobicContact SD-CD2 4.02Å; M663-F799 HydrophobicContact SD-CE2 3.81Å
664L90.5Very high90.4Very high67 Ų6718.3 Ų18.335%0.35111%0.106SC..Hα-helixtrans-61.9-29.2175.1178.561.3000112.6L496 L499 M660 G666 S796L496-L664 HydrophobicContact CD1-CD1 4.33Å; L499-L664 HydrophobicContact CD1-CD1 3.56Å; M660-L664 PolarHBondContact O-N 2.99Å; L664-G666 VanDerWaalsContact C-N 3.33Å; L664-S796 WeakPolarHBondContact CD1-OG 3.37Å
665N90Very high90.8Very high57 Ų5718 Ų1831%0.30510%0.104SC..THydrogen-bonded Turntrans-90.612.3174.8-78.4-95.2000113.7K519 I638 P639 K661 F662 M663 A667K519-N665 PolarHBondContact NZ-O 2.95Å; I638-N665 HydrophobicContact CG2-CB 3.94Å; P639-N665 WeakPolarHBondContact CA-OD1 2.99Å; K661-N665 WeakPolarHBondContact O-CB 3.13Å; K661-N665 PolarHBondContact O-N 2.8Å; K661-N665 VanDerWaalsContact O-N 3.12Å; K661-N665 PolarHBondContact O-ND2 3.34Å; F662-N665 CarbonylContact O-C 3.05Å; F662-N665 PolarHBondContact O-N 3.1Å; F662-N665 VanDerWaalsContact O-N 3.16Å; M663-N665 PolarHBondContact O-N 3.39Å; N665-A667 VanDerWaalsContact C-N 3.25Å; N665-A667 PolarHBondContact O-N 3Å
666G90.2Very high91.1Very high1 Ų117.3 Ų17.31%0.0110%0.099CC..THydrogen-bonded Turntrans68.913.917500000115.9F662 M663 L664 S789F662-G666 PolarHBondContact O-N 2.88Å; F662-G666 VanDerWaalsContact O-N 3.15Å; M663-G666 PolarHBondContact O-N 3.04Å; L664-G666 VanDerWaalsContact C-N 3.33Å; G666-S789 WeakPolarHBondContact CA-OG 3.3Å; G666-S789 WeakPolarHBondContact O-CB 3.42Å; G666-S789 PolarHBondContact O-OG 3.3Å
667A93.5Very high91.7Very high0 Ų016.9 Ų16.90%09%0.093CC..PPolyproline II helixtrans-77.3133.1169.400000109.5A641 D642 F662 N665A641-A667 HydrophobicContact CB-CB 3.87Å; A641-A667 WeakPolarHBondContact O-CB 3.5Å; D642-A667 WeakPolarHBondContact O-CA 3.22Å; F662-A667 HydrophobicContact CB-CB 4.11Å; F662-A667 HydrophobicContact CD1-CB 3.97Å; F662-A667 HydrophobicContact CG-CB 4.47Å; F662-A667 PolarHBondContact O-N 2.99Å; N665-A667 VanDerWaalsContact C-N 3.25Å; N665-A667 PolarHBondContact O-N 3Å
668L95.8Very high92.1Very high0 Ų016.7 Ų16.70%09%0.092CC..EExtended strand (participates in β ladder)trans-74145.6178-57.1-171.9000110D642 L643 S644 F690 W785 M788D642-L668 PolarHBondContact O-N 3.32Å; L643-L668 CarbonylContact C-O 3.59Å; L643-L668 WeakPolarHBondContact CA-O 3.19Å; L643-L668 VanDerWaalsContact CD1-O 3.31Å; L643-L668 WeakPolarHBondContact CD1-O 3.39Å; S644-L668 PolarHBondContact N-O 2.83Å; L668-F690 HydrophobicContact CB-CE2 4.27Å; L668-F690 HydrophobicContact CD1-CE2 3.89Å; L668-W785 HydrophobicContact CB-CH2 4.47Å; L668-W785 HydrophobicContact CB-CZ2 4.4Å; L668-W785 HydrophobicContact CD1-CD2 3.7Å; L668-W785 HydrophobicContact CD1-CE3 3.73Å; L668-W785 HydrophobicContact CD1-CG 4.41Å; L668-W785 HydrophobicContact CD1-CH2 3.74Å; L668-W785 HydrophobicContact CD1-CZ2 3.69Å; L668-W785 HydrophobicContact CD1-CZ3 3.76Å; L668-W785 HydrophobicContact CG-CH2 4.3Å; L668-W785 HydrophobicContact CG-CZ2 3.94Å; L668-M788 HydrophobicContact CD1-CB 3.98Å; L668-M788 HydrophobicContact CD1-CE 4.13Å; L668-M788 HydrophobicContact CD1-SD 4.36Å; L668-M788 HydrophobicContact CD2-CB 3.73Å
669T95.4Very high92.4Very high0 Ų016.8 Ų16.80%09%0.087CC..EExtended strand (participates in β ladder)trans-99133.1-180-65.90000111.8Q646 M680 I689 F690Q646-T669 HydrophobicContact CB-CG2 3.94Å; Q646-T669 HydrophobicContact CG-CG2 3.77Å; T669-M680 HydrophobicContact CG2-CE 4.42Å; T669-I689 HydrophobicContact CG2-CD1 4.03Å; T669-I689 HydrophobicContact CG2-CG1 4.32Å; T669-F690 WeakPolarHBondContact O-CB 3.4Å; T669-F690 PolarHBondContact O-N 3.09Å
670I94.7Very high92.5Very high0 Ų016.7 Ų16.70%09%0.086CC..EExtended strand (participates in β ladder)trans-112.7129.4162.5-175169.8000108.3L643 S644 Q645 Q646 F690 F692 A763 M764 L767L643-I670 HydrophobicContact CD1-CB 3.86Å; L643-I670 HydrophobicContact CD1-CG2 3.52Å; L643-I670 HydrophobicContact CD2-CG2 4.16Å; L643-I670 HydrophobicContact CG-CG2 3.9Å; S644-I670 PolarHBondContact O-N 2.88Å; Q645-I670 VanDerWaalsContact CD-CG2 3.48Å; Q645-I670 HydrophobicContact CG-CG2 4.28Å; Q646-I670 PolarHBondContact N-O 3.11Å; I670-F690 WeakPolarHBondContact CA-O 3.31Å; I670-F690 HydrophobicContact CB-CB 3.94Å; I670-F690 HydrophobicContact CG1-CB 3.99Å; I670-F690 WeakPolarHBondContact CG1-O 3.24Å; I670-F692 HydrophobicContact CD1-CD1 4.48Å; I670-F692 HydrophobicContact CD1-CE1 4.45Å; I670-F692 HydrophobicContact CG1-CD1 3.87Å; I670-F692 HydrophobicContact CG1-CE1 3.83Å; I670-A763 HydrophobicContact CD1-CB 4.21Å; I670-M764 HydrophobicContact CD1-CE 4.05Å; I670-M764 HydrophobicContact CD1-CG 3.97Å; I670-M764 HydrophobicContact CD1-SD 3.72Å; I670-L767 HydrophobicContact CD1-CD1 4.45Å
671G94.4Very high92.6Very high0 Ų015.3 Ų15.30%08%0.081CC..EExtended strand (participates in β ladder)trans-174.1-175.9-167.800000115.1Q646 F690 I691 F692Q646-G671 WeakPolarHBondContact O-CA 3.4Å; G671-F690 PolarHBondContact N-O 3.05Å; G671-F690 VanDerWaalsContact N-O 3.17Å; G671-I691 CarbonylContact O-C 3.57Å; G671-I691 VanDerWaalsContact O-CA 3.24Å; G671-I691 WeakPolarHBondContact O-CA 3.38Å; G671-F692 VanDerWaalsContact O-CD1 3.23Å; G671-F692 WeakPolarHBondContact O-CD1 3.28Å; G671-F692 PolarHBondContact O-N 3.37Å
672T92.7Very high92.8Very high1 Ų118 Ų181%0.00610%0.095CC..  trans-98.7164.8172.736.10000111.3Q646 S648 D674 N677 F692Q646-T672 PolarHBondContact O-N 2.88Å; S648-T672 WeakPolarHBondContact O-CB 3.45Å; S648-T672 VanDerWaalsContact O-CG2 3.24Å; S648-T672 WeakPolarHBondContact O-CG2 3.49Å; S648-T672 PolarHBondContact O-OG1 3.13Å; T672-D674 PolarHBondContact O-N 3.36Å; T672-D674 WeakPolarHBondContact OG1-CB 3.4Å; T672-N677 WeakPolarHBondContact O-CB 3.26Å; T672-N677 PolarHBondContact O-ND2 2.89Å; T672-F692 WeakPolarHBondContact CA-O 3.37Å
673L91.7Very high92.8Very high55 Ų5520.7 Ų20.729%0.28811%0.107SC..SBendtrans-74.477.8161.8-64.7179.9000108.6V678 I691L673-V678 HydrophobicContact CB-CG2 4.12Å; L673-V678 HydrophobicContact CD2-CG2 4.41Å; L673-I691 HydrophobicContact CD1-CG2 4.48Å; L673-I691 HydrophobicContact CD2-CD1 4.1Å; L673-I691 HydrophobicContact CD2-CG1 4.05Å; L673-I691 HydrophobicContact CD2-CG2 3.76Å; L673-I691 HydrophobicContact CG-CG2 3.67Å
674D90Very high92.8Very high3 Ų320.9 Ų20.92%0.01611%0.108CC..  trans-142.2139.5-175.4-164.931.2000109.9S648 G651 T652 E653 T672 A676 N677S648-D674 WeakPolarHBondContact CB-OD2 3.33Å; G651-D674 PolarHBondContact N-OD1 3.32Å; T652-D674 PolarHBondContact N-OD1 2.88Å; T652-D674 VanDerWaalsContact N-OD1 3.14Å; E653-D674 WeakPolarHBondContact CB-OD2 3.42Å; E653-D674 PolarHBondContact N-OD1 2.85Å; E653-D674 PolarHBondContact N-OD2 3.03Å; T672-D674 PolarHBondContact O-N 3.36Å; T672-D674 WeakPolarHBondContact OG1-CB 3.4Å; D674-A676 PolarHBondContact O-N 3.27Å; D674-N677 WeakPolarHBondContact O-CB 3.49Å; D674-N677 PolarHBondContact O-N 3.48Å; D674-N677 VanDerWaalsContact O-N 3.09Å
675G88.9Confident93Very high3 Ų318.6 Ų18.63%0.03110%0.101CC..THydrogen-bonded Turntrans47.8-136-177.200000114.3E653 N677 V678E653-G675 WeakPolarHBondContact O-CA 3.43Å; E653-G675 PolarHBondContact O-N 2.71Å; G675-N677 PolarHBondContact O-N 3.2Å; G675-V678 PolarHBondContact O-N 3.38Å
676A90.8Very high93.1Very high0 Ų021.8 Ų21.80%011%0.108CC..Hα-helixtrans-71.8-6.4-179.700000114S655 M660 D674 V678 E679 M680S655-A676 WeakPolarHBondContact O-CB 3.22Å; S655-A676 PolarHBondContact O-N 3.06Å; M660-A676 HydrophobicContact CE-CB 3.47Å; M660-A676 VanDerWaalsContact CE-CB 3.47Å; D674-A676 PolarHBondContact O-N 3.27Å; A676-V678 PolarHBondContact O-N 3.23Å; A676-E679 PolarHBondContact O-N 2.72Å; A676-M680 WeakPolarHBondContact O-CB 3.34Å; A676-M680 VanDerWaalsContact O-CG 3.24Å; A676-M680 WeakPolarHBondContact O-CG 3.41Å; A676-M680 PolarHBondContact O-N 3.25Å
677N93.5Very high93.2Very high6 Ų626.8 Ų26.83%0.03213%0.131CC..Hα-helixtrans-61.7-28172.7-62.9-11.7000111.6Q646 N659 T672 D674 G675 A681Q646-N677 PolarHBondContact O-ND2 3.31Å; N659-N677 PolarHBondContact ND2-OD1 2.68Å; T672-N677 WeakPolarHBondContact O-CB 3.26Å; T672-N677 PolarHBondContact O-ND2 2.89Å; D674-N677 WeakPolarHBondContact O-CB 3.49Å; D674-N677 PolarHBondContact O-N 3.48Å; D674-N677 VanDerWaalsContact O-N 3.09Å; G675-N677 PolarHBondContact O-N 3.2Å; N677-A681 WeakPolarHBondContact O-CB 3.48Å; N677-A681 PolarHBondContact O-N 3.04Å
678V92.6Very high93.1Very high35 Ų3527.3 Ų27.321%0.21213%0.134CC..Hα-helixtrans-65.8-56.5175.1-177.50000109.8L458 L673 G675 A676 M680 A681 E682L458-V678 HydrophobicContact CD2-CG2 4.07Å; L673-V678 HydrophobicContact CB-CG2 4.12Å; L673-V678 HydrophobicContact CD2-CG2 4.41Å; G675-V678 PolarHBondContact O-N 3.38Å; A676-V678 PolarHBondContact O-N 3.23Å; V678-M680 VanDerWaalsContact C-N 3.27Å; V678-M680 PolarHBondContact O-N 3.4Å; V678-A681 WeakPolarHBondContact O-CB 3.15Å; V678-A681 PolarHBondContact O-N 2.81Å; V678-E682 WeakPolarHBondContact O-CG 3.35Å; V678-E682 PolarHBondContact O-N 2.73Å; V678-E682 VanDerWaalsContact O-N 3.08Å
679E92Very high93Very high23 Ų2327.4 Ų27.411%0.10714%0.135CC..Hα-helixtrans-59.6-37.6177.4-66.3-178.5-125.100112A456 A457 A676 E682 E683 K798 F799A456-E679 WeakPolarHBondContact CA-OE1 3.44Å; A457-E679 HydrophobicContact CB-CG 4.27Å; A457-E679 PolarHBondContact N-OE1 3.46Å; A676-E679 PolarHBondContact O-N 2.72Å; E679-E682 WeakPolarHBondContact O-CB 3.28Å; E679-E682 PolarHBondContact O-N 2.65Å; E679-E683 WeakPolarHBondContact O-CG 3.43Å; E679-E683 PolarHBondContact O-N 2.95Å; E679-E683 VanDerWaalsContact O-N 3.1Å; E679-K798 VanDerWaalsContact OE2-CE 3.24Å; E679-K798 WeakPolarHBondContact OE2-CE 3.36Å; E679-K798 IonicContact OE2-NZ 3.22Å; E679-F799 HydrophobicContact CB-CE1 3.96Å; E679-F799 HydrophobicContact CB-CZ 4.12Å
680M93.9Very high92.9Very high0 Ų027.7 Ų27.70%014%0.136CC..Hα-helixtrans-61.3-43.5174.1-75.3173.652.300111.9N659 M663 T669 A676 V678 E682 E683 M684 F799N659-M680 HydrophobicContact CB-CE 4.02Å; N659-M680 HydrophobicContact CB-SD 3.59Å; N659-M680 VanDerWaalsContact CB-SD 3.59Å; M663-M680 HydrophobicContact CB-CE 3.92Å; M663-M680 HydrophobicContact CG-CE 4.39Å; M663-M680 HydrophobicContact SD-CB 4.2Å; M663-M680 HydrophobicContact SD-CE 3.9Å; M663-M680 HydrophobicContact SD-CG 3.78Å; M663-M680 HydrophobicContact SD-SD 4.41Å; T669-M680 HydrophobicContact CG2-CE 4.42Å; A676-M680 WeakPolarHBondContact O-CB 3.34Å; A676-M680 VanDerWaalsContact O-CG 3.24Å; A676-M680 WeakPolarHBondContact O-CG 3.41Å; A676-M680 PolarHBondContact O-N 3.25Å; V678-M680 VanDerWaalsContact C-N 3.27Å; V678-M680 PolarHBondContact O-N 3.4Å; M680-E682 VanDerWaalsContact C-N 3.3Å; M680-E682 PolarHBondContact O-N 3.17Å; M680-E683 PolarHBondContact O-N 3.21Å; M680-M684 HydrophobicContact CB-CE 4.01Å; M680-M684 HydrophobicContact CE-CE 4.08Å; M680-M684 VanDerWaalsContact O-CG 3.25Å; M680-M684 WeakPolarHBondContact O-CG 3.36Å; M680-M684 PolarHBondContact O-N 2.91Å; M680-F799 HydrophobicContact CB-CZ 4.31Å; M680-F799 HydrophobicContact CG-CE1 4.18Å; M680-F799 HydrophobicContact CG-CE2 3.86Å; M680-F799 HydrophobicContact CG-CZ 3.68Å
681A95Very high92.8Very high8 Ų828.8 Ų28.87%0.06614%0.142CC..Hα-helixtrans-66.6-29.6178.500000113.3N677 V678 G685 R686 I689N677-A681 WeakPolarHBondContact O-CB 3.48Å; N677-A681 PolarHBondContact O-N 3.04Å; V678-A681 WeakPolarHBondContact O-CB 3.15Å; V678-A681 PolarHBondContact O-N 2.81Å; A681-G685 CarbonylContact O-C 3.59Å; A681-G685 PolarHBondContact O-N 3.25Å; A681-R686 PolarHBondContact O-N 2.77Å; A681-I689 HydrophobicContact CB-CD1 4.32Å; A681-I689 HydrophobicContact CB-CG2 3.79Å
682E95.4Very high92.7Very high119 Ų11929.7 Ų29.756%0.55615%0.145SC*.Hα-helixtrans-67.2-56.1171.6-65.6168.1169.100110.8V678 E679 M680 M684 G685 K798V678-E682 WeakPolarHBondContact O-CG 3.35Å; V678-E682 PolarHBondContact O-N 2.73Å; V678-E682 VanDerWaalsContact O-N 3.08Å; E679-E682 WeakPolarHBondContact O-CB 3.28Å; E679-E682 PolarHBondContact O-N 2.65Å; M680-E682 VanDerWaalsContact C-N 3.3Å; M680-E682 PolarHBondContact O-N 3.17Å; E682-M684 PolarHBondContact O-N 3.43Å; E682-G685 PolarHBondContact O-N 2.84Å; E682-K798 IonicContact OE2-NZ 2.8Å; E682-K798 PolarHBondContact OE2-NZ 3.17Å
683E94.1Very high92.5Very high57 Ų5730.2 Ų30.227%0.26615%0.151SC..Hα-helixtrans-65.2-42.1-173.9-62-52.7130.300112.8E679 M680 S795 K798 F799E679-E683 WeakPolarHBondContact O-CG 3.43Å; E679-E683 PolarHBondContact O-N 2.95Å; E679-E683 VanDerWaalsContact O-N 3.1Å; M680-E683 PolarHBondContact O-N 3.21Å; E683-S795 VanDerWaalsContact C-CB 3.47Å; E683-S795 WeakPolarHBondContact O-CB 3.41Å; E683-S795 PolarHBondContact O-OG 2.9Å; E683-K798 HydrophobicContact CG-CB 4.12Å; E683-K798 HydrophobicContact CG-CD 3.45Å; E683-K798 VanDerWaalsContact CG-CD 3.45Å; E683-K798 HydrophobicContact CG-CG 4.46Å; E683-K798 WeakPolarHBondContact OE1-CD 3.27Å; E683-K798 WeakPolarHBondContact OE1-CE 3.47Å; E683-K798 IonicContact OE1-NZ 3.25Å; E683-K798 PolarHBondContact OE1-NZ 2.83Å; E683-F799 HydrophobicContact CB-CE2 4.45Å; E683-F799 HydrophobicContact CG-CE2 4.14Å; E683-F799 HydrophobicContact CG-CZ 4.03Å
684M93.7Very high92.3Very high4 Ų428.9 Ų28.92%0.0214%0.144CC..Hα-helixtrans-84.8-9-174.981.9177.360.400114.5M663 M680 E682 N688 I689 N792M663-M684 HydrophobicContact CE-CB 4.02Å; M663-M684 HydrophobicContact CE-CE 3.66Å; M663-M684 HydrophobicContact CG-CE 3.96Å; M663-M684 HydrophobicContact SD-CE 3.53Å; M663-M684 VanDerWaalsContact SD-CE 3.53Å; M680-M684 HydrophobicContact CB-CE 4.01Å; M680-M684 HydrophobicContact CE-CE 4.08Å; M680-M684 VanDerWaalsContact O-CG 3.25Å; M680-M684 WeakPolarHBondContact O-CG 3.36Å; M680-M684 PolarHBondContact O-N 2.91Å; E682-M684 PolarHBondContact O-N 3.43Å; M684-N688 HydrophobicContact CG-CB 4.03Å; M684-N688 PolarHBondContact O-ND2 2.99Å; M684-N688 HydrophobicContact SD-CB 4.17Å; M684-I689 HydrophobicContact CE-CD1 4.45Å; M684-I689 HydrophobicContact SD-CB 3.68Å; M684-I689 HydrophobicContact SD-CD1 4.4Å; M684-I689 HydrophobicContact SD-CG1 4.42Å; M684-I689 HydrophobicContact SD-CG2 4.4Å; M684-N792 WeakPolarHBondContact CE-OD1 3.47Å; M684-N792 VanDerWaalsContact SD-CG 3.56Å; M684-N792 PolarHBondContact SD-ND2 3.23Å; M684-N792 VanDerWaalsContact SD-ND2 3.38Å; M684-N792 PolarHBondContact SD-OD1 3.05Å; M684-N792 VanDerWaalsContact SD-OD1 3.32Å
685G94Very high92.3Very high19 Ų1930.7 Ų30.720%0.19616%0.155CC..  trans83.2134.4-168.300000112.3A681 E682 E687 N688A681-G685 CarbonylContact O-C 3.59Å; A681-G685 PolarHBondContact O-N 3.25Å; E682-G685 PolarHBondContact O-N 2.84Å; G685-E687 VanDerWaalsContact C-OE2 3.29Å; G685-E687 PolarHBondContact O-N 3.47Å; G685-E687 VanDerWaalsContact O-N 3.08Å; G685-N688 PolarHBondContact O-N 2.86Å
686R92.5Very high92.1Very high124 Ų12431.4 Ų31.447%0.46816%0.159SC..THydrogen-bonded Turntrans-64.9-18.8-169-173.357.9-177.176.44.4113.9A681A681-R686 PolarHBondContact O-N 2.77Å
687E91.8Very high92.1Very high105 Ų10537.1 Ų37.149%0.49119%0.185SC..THydrogen-bonded Turntrans-79.7-20.5175.771.1-70.616800114.4G685G685-E687 VanDerWaalsContact C-OE2 3.29Å; G685-E687 PolarHBondContact O-N 3.47Å; G685-E687 VanDerWaalsContact O-N 3.08Å
688N93.3Very high91.9Very high11 Ų1141.5 Ų41.56%0.05921%0.206CC..SBendtrans-91.84.2-178.2-62.9-55.9000113.6M684 G685 M788 N792M684-N688 HydrophobicContact CG-CB 4.03Å; M684-N688 PolarHBondContact O-ND2 2.99Å; M684-N688 HydrophobicContact SD-CB 4.17Å; G685-N688 PolarHBondContact O-N 2.86Å; N688-M788 WeakPolarHBondContact OD1-CG 3.14Å; N688-N792 PolarHBondContact O-ND2 2.95Å
689I93Very high91.7Very high2 Ų240.4 Ų40.41%0.0120%0.199CC..SBendtrans-131.6140-179.7-170.5163.5000113.2T669 A681 M684 I691T669-I689 HydrophobicContact CG2-CD1 4.03Å; T669-I689 HydrophobicContact CG2-CG1 4.32Å; A681-I689 HydrophobicContact CB-CD1 4.32Å; A681-I689 HydrophobicContact CB-CG2 3.79Å; M684-I689 HydrophobicContact CE-CD1 4.45Å; M684-I689 HydrophobicContact SD-CB 3.68Å; M684-I689 HydrophobicContact SD-CD1 4.4Å; M684-I689 HydrophobicContact SD-CG1 4.42Å; M684-I689 HydrophobicContact SD-CG2 4.4Å; I689-I691 HydrophobicContact CD1-CD1 3.72Å; I689-I691 HydrophobicContact CD1-CG1 4.18Å; I689-I691 HydrophobicContact CG1-CD1 3.93Å; I689-I691 HydrophobicContact CG1-CG1 3.98Å; I689-I691 HydrophobicContact CG2-CG1 3.92Å; I689-I691 PolarHBondContact O-N 3.42Å
690F93.4Very high91.4Very high7 Ų743.7 Ų43.73%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-92.863.1-179.5-62.5-81.5000112.2L668 T669 I670 G671 R766 L767 L770 M788L668-F690 HydrophobicContact CB-CE2 4.27Å; L668-F690 HydrophobicContact CD1-CE2 3.89Å; T669-F690 WeakPolarHBondContact O-CB 3.4Å; T669-F690 PolarHBondContact O-N 3.09Å; I670-F690 WeakPolarHBondContact CA-O 3.31Å; I670-F690 HydrophobicContact CB-CB 3.94Å; I670-F690 HydrophobicContact CG1-CB 3.99Å; I670-F690 WeakPolarHBondContact CG1-O 3.24Å; G671-F690 PolarHBondContact N-O 3.05Å; G671-F690 VanDerWaalsContact N-O 3.17Å; F690-R766 HydrophobicContact CE1-CG 4.37Å; F690-L767 HydrophobicContact CB-CD1 4.42Å; F690-L767 HydrophobicContact CD1-CB 3.97Å; F690-L767 HydrophobicContact CD1-CD1 4.25Å; F690-L767 HydrophobicContact CD1-CG 4.26Å; F690-L767 HydrophobicContact CD2-CD1 3.6Å; F690-L767 HydrophobicContact CD2-CG 4.08Å; F690-L767 HydrophobicContact CE1-CB 3.78Å; F690-L767 HydrophobicContact CE1-CD1 4.42Å; F690-L767 HydrophobicContact CE1-CG 3.99Å; F690-L767 HydrophobicContact CE2-CB 4.48Å; F690-L767 HydrophobicContact CE2-CD1 3.79Å; F690-L767 HydrophobicContact CE2-CG 3.78Å; F690-L767 HydrophobicContact CG-CB 4.4Å; F690-L767 HydrophobicContact CG-CD1 3.84Å; F690-L767 HydrophobicContact CG-CG 4.3Å; F690-L767 HydrophobicContact CZ-CB 4.05Å; F690-L767 HydrophobicContact CZ-CD1 4.2Å; F690-L767 HydrophobicContact CZ-CG 3.73Å; F690-L770 HydrophobicContact CE1-CD1 3.7Å; F690-L770 HydrophobicContact CZ-CD1 3.68Å; F690-M788 HydrophobicContact CE1-CE 4.47Å; F690-M788 HydrophobicContact CE2-CE 3.72Å; F690-M788 HydrophobicContact CZ-CE 3.65Å
691I91.7Very high91.2Very high23 Ų2346.7 Ų46.712%0.11824%0.239CC..EExtended strand (participates in β ladder)trans-69.5137.4174-62.4-61.3000111.6G671 L673 I689G671-I691 CarbonylContact O-C 3.57Å; G671-I691 VanDerWaalsContact O-CA 3.24Å; G671-I691 WeakPolarHBondContact O-CA 3.38Å; L673-I691 HydrophobicContact CD1-CG2 4.48Å; L673-I691 HydrophobicContact CD2-CD1 4.1Å; L673-I691 HydrophobicContact CD2-CG1 4.05Å; L673-I691 HydrophobicContact CD2-CG2 3.76Å; L673-I691 HydrophobicContact CG-CG2 3.67Å; I689-I691 HydrophobicContact CD1-CD1 3.72Å; I689-I691 HydrophobicContact CD1-CG1 4.18Å; I689-I691 HydrophobicContact CG1-CD1 3.93Å; I689-I691 HydrophobicContact CG1-CG1 3.98Å; I689-I691 HydrophobicContact CG2-CG1 3.92Å; I689-I691 PolarHBondContact O-N 3.42Å
692F91.9Very high90.9Very high18 Ų1847.7 Ų47.78%0.07924%0.243CC..  trans-146.5-176.3172.775.9-83.2000111.2L559 I647 I670 G671 T672 H759 C760 A763L559-F692 HydrophobicContact CD2-CE2 4.16Å; L559-F692 HydrophobicContact CD2-CZ 4.21Å; I647-F692 HydrophobicContact CB-CE1 4.36Å; I647-F692 HydrophobicContact CB-CZ 3.98Å; I647-F692 HydrophobicContact CG2-CE1 3.67Å; I647-F692 HydrophobicContact CG2-CZ 3.72Å; I670-F692 HydrophobicContact CD1-CD1 4.48Å; I670-F692 HydrophobicContact CD1-CE1 4.45Å; I670-F692 HydrophobicContact CG1-CD1 3.87Å; I670-F692 HydrophobicContact CG1-CE1 3.83Å; G671-F692 VanDerWaalsContact O-CD1 3.23Å; G671-F692 WeakPolarHBondContact O-CD1 3.28Å; G671-F692 PolarHBondContact O-N 3.37Å; T672-F692 WeakPolarHBondContact CA-O 3.37Å; F692-H759 HydrophobicContact CB-CB 4.35Å; F692-H759 HydrophobicContact CD2-CB 4.09Å; F692-C760 VanDerWaalsContact CD2-CA 3.47Å; F692-C760 HydrophobicContact CD2-CB 3.85Å; F692-C760 HydrophobicContact CE2-CB 3.44Å; F692-C760 VanDerWaalsContact CE2-CB 3.44Å; F692-C760 HydrophobicContact CZ-CB 3.93Å; F692-A763 HydrophobicContact CB-CB 3.73Å; F692-A763 HydrophobicContact CD1-CB 4.26Å; F692-A763 HydrophobicContact CG-CB 4.19Å
693G88.7Confident90.4Very high13 Ų1347.1 Ų47.113%0.13424%0.241CC..SBendtrans101.5-145170.200000112.1H759G693-H759 PolarHBondContact O-ND1 3.39Å
694M88.2Confident90.1Very high27 Ų2748.9 Ų48.913%0.13327%0.265CS..  trans-113.3158.7171.8-75.6-172.5-66.200109.5A650 E698 V699 L702 N753 T756A650-M694 VanDerWaalsContact CB-O 3.25Å; A650-M694 WeakPolarHBondContact CB-O 3.44Å; M694-E698 WeakPolarHBondContact CA-OE2 3.44Å; M694-E698 HydrophobicContact CB-CB 3.8Å; M694-E698 HydrophobicContact CG-CB 4.02Å; M694-E698 HydrophobicContact SD-CB 4.17Å; M694-V699 HydrophobicContact CB-CG2 3.97Å; M694-V699 HydrophobicContact CE-CG2 3.72Å; M694-V699 HydrophobicContact SD-CG2 4.49Å; M694-L702 HydrophobicContact CE-CD2 3.6Å; M694-L702 HydrophobicContact SD-CB 4.45Å; M694-L702 HydrophobicContact SD-CD2 3.73Å; M694-N753 HydrophobicContact CE-CB 3.63Å; M694-T756 HydrophobicContact CB-CG2 4.48Å; M694-T756 HydrophobicContact CE-CG2 3.57Å; M694-T756 HydrophobicContact CG-CG2 3.84Å; M694-T756 HydrophobicContact SD-CG2 4.27Å
695T89.6Confident89.9Confident41 Ų4157.2 Ų57.225%0.25230%0.301SS..  trans-77.6173.2162.279.30000111.4Q697 E698 V699T695-Q697 VanDerWaalsContact C-N 3.33Å; T695-Q697 PolarHBondContact O-N 2.72Å; T695-Q697 PolarHBondContact OG1-N 2.85Å; T695-Q697 PolarHBondContact OG1-OE1 3.02Å; T695-E698 PolarHBondContact N-OE2 2.93Å; T695-E698 PolarHBondContact O-N 3.08Å; T695-E698 PolarHBondContact OG1-N 3.41Å; T695-V699 WeakPolarHBondContact O-CG2 3.36Å; T695-V699 PolarHBondContact O-N 2.75Å
696V85.9Confident89.5Confident18 Ų1859.1 Ų59.111%0.10932%0.321CS..Hα-helixtrans-56.7-47.5172.8-176.30000110.8L458 A650 E698 V699 E700L458-V696 HydrophobicContact CD2-CG2 4.35Å; A650-V696 HydrophobicContact CB-CG2 4.32Å; V696-E698 VanDerWaalsContact C-N 3.31Å; V696-E698 PolarHBondContact O-N 2.72Å; V696-V699 WeakPolarHBondContact O-CB 3.26Å; V696-V699 PolarHBondContact O-N 3.37Å; V696-V699 VanDerWaalsContact O-N 3.11Å; V696-E700 HydrophobicContact CG1-CG 4.46Å; V696-E700 WeakPolarHBondContact O-CG 3.26Å; V696-E700 PolarHBondContact O-N 3.34Å
697Q89.4Confident89.2Confident119 Ų11955.8 Ų55.856%0.55631%0.309SS*.Hα-helixtrans-66.4-33.3-177.7-55.479.811.100112.3T695 A701T695-Q697 VanDerWaalsContact C-N 3.33Å; T695-Q697 PolarHBondContact O-N 2.72Å; T695-Q697 PolarHBondContact OG1-N 2.85Å; T695-Q697 PolarHBondContact OG1-OE1 3.02Å; Q697-A701 VanDerWaalsContact O-CB 3.23Å; Q697-A701 WeakPolarHBondContact O-CB 3.18Å; Q697-A701 PolarHBondContact O-N 3.49Å
698E90.4Very high89Confident98 Ų9854 Ų5446%0.45830%0.303SS..Hα-helixtrans-70.7-35.7173.7-71.1177.5142.200112M694 T695 V696 L702M694-E698 WeakPolarHBondContact CA-OE2 3.44Å; M694-E698 HydrophobicContact CB-CB 3.8Å; M694-E698 HydrophobicContact CG-CB 4.02Å; M694-E698 HydrophobicContact SD-CB 4.17Å; T695-E698 PolarHBondContact N-OE2 2.93Å; T695-E698 PolarHBondContact O-N 3.08Å; T695-E698 PolarHBondContact OG1-N 3.41Å; V696-E698 VanDerWaalsContact C-N 3.31Å; V696-E698 PolarHBondContact O-N 2.72Å; E698-L702 VanDerWaalsContact O-CB 3.23Å; E698-L702 WeakPolarHBondContact O-CB 3.35Å; E698-L702 PolarHBondContact O-N 3.49Å
699V87.4Confident88.7Confident12 Ų1253.7 Ų53.77%0.07330%0.301CS..Hα-helixtrans-64.8-48.5172169.20000110.9T649 A650 M694 T695 V696 L702 Q703T649-V699 HydrophobicContact CG2-CG2 4.32Å; A650-V699 HydrophobicContact CB-CG2 4.49Å; M694-V699 HydrophobicContact CB-CG2 3.97Å; M694-V699 HydrophobicContact CE-CG2 3.72Å; M694-V699 HydrophobicContact SD-CG2 4.49Å; T695-V699 WeakPolarHBondContact O-CG2 3.36Å; T695-V699 PolarHBondContact O-N 2.75Å; V696-V699 WeakPolarHBondContact O-CB 3.26Å; V696-V699 PolarHBondContact O-N 3.37Å; V696-V699 VanDerWaalsContact O-N 3.11Å; V699-L702 PolarHBondContact O-N 2.73Å; V699-Q703 WeakPolarHBondContact O-CG 3.25Å; V699-Q703 PolarHBondContact O-N 3.12Å
700E86Confident88.5Confident93 Ų9356 Ų5644%0.43531%0.314SS..Hα-helixtrans-59.2-47.8177.8-70.1169.9155.300111.4V696 L702 Q703 A704V696-E700 HydrophobicContact CG1-CG 4.46Å; V696-E700 WeakPolarHBondContact O-CG 3.26Å; V696-E700 PolarHBondContact O-N 3.34Å; E700-L702 VanDerWaalsContact C-N 3.34Å; E700-L702 PolarHBondContact O-N 2.88Å; E700-Q703 PolarHBondContact O-N 3Å; E700-A704 VanDerWaalsContact O-CB 3.31Å; E700-A704 WeakPolarHBondContact O-CB 3.42Å; E700-A704 PolarHBondContact O-N 3.46Å
701A90.5Very high88.2Confident63 Ų6358.7 Ų58.752%0.52133%0.329SS..Hα-helixtrans-64.2-35.8177.600000112.9Q697 K705Q697-A701 VanDerWaalsContact O-CB 3.23Å; Q697-A701 WeakPolarHBondContact O-CB 3.18Å; Q697-A701 PolarHBondContact O-N 3.49Å; A701-K705 WeakPolarHBondContact O-CB 3.49Å; A701-K705 PolarHBondContact O-N 3.22Å; A701-K705 VanDerWaalsContact O-N 3.13Å
702L87.7Confident88.1Confident28 Ų2861.3 Ų61.315%0.14734%0.338CS..Hα-helixtrans-70.5-40176.5-17859.1000112M694 E698 V699 E700 K705 Y707 Y712M694-L702 HydrophobicContact CE-CD2 3.6Å; M694-L702 HydrophobicContact SD-CB 4.45Å; M694-L702 HydrophobicContact SD-CD2 3.73Å; E698-L702 VanDerWaalsContact O-CB 3.23Å; E698-L702 WeakPolarHBondContact O-CB 3.35Å; E698-L702 PolarHBondContact O-N 3.49Å; V699-L702 PolarHBondContact O-N 2.73Å; E700-L702 VanDerWaalsContact C-N 3.34Å; E700-L702 PolarHBondContact O-N 2.88Å; L702-K705 PolarHBondContact O-N 3.48Å; L702-Y707 HydrophobicContact CD1-CD2 4.22Å; L702-Y707 HydrophobicContact CD2-CD2 3.78Å; L702-Y707 HydrophobicContact CD2-CE2 4.27Å; L702-Y707 HydrophobicContact CG-CD2 3.86Å; L702-Y707 HydrophobicContact CG-CG 4.49Å; L702-Y707 PolarHBondContact O-N 3.34Å; L702-Y712 WeakPolarHBondContact CD1-OH 3.19Å
703Q84.7Confident87.9Confident107 Ų10760.7 Ų60.750%0.534%0.335SS..Hα-helixtrans-65-48.8174.2-73.7178.6-11.500111.2V699 E700 K705 G706V699-Q703 WeakPolarHBondContact O-CG 3.25Å; V699-Q703 PolarHBondContact O-N 3.12Å; E700-Q703 PolarHBondContact O-N 3Å; Q703-K705 PolarHBondContact O-N 2.91Å; Q703-G706 PolarHBondContact O-N 2.94Å
704A88.6Confident87.9Confident94 Ų9466 Ų6678%0.77736%0.356SS*.Hα-helixtrans-61-26.9178.800000113.5E700 G706E700-A704 VanDerWaalsContact O-CB 3.31Å; E700-A704 WeakPolarHBondContact O-CB 3.42Å; E700-A704 PolarHBondContact O-N 3.46Å; A704-G706 VanDerWaalsContact C-N 3.3Å; A704-G706 PolarHBondContact O-N 3.45Å
705K89.4Confident88Confident179 Ų17973.2 Ų73.278%0.77838%0.382SS*.THydrogen-bonded Turntrans-73.9-15176-176.7170.9177.9-179.50114.1A701 L702 Q703A701-K705 WeakPolarHBondContact O-CB 3.49Å; A701-K705 PolarHBondContact O-N 3.22Å; A701-K705 VanDerWaalsContact O-N 3.13Å; L702-K705 PolarHBondContact O-N 3.48Å; Q703-K705 PolarHBondContact O-N 2.91Å
706G86.1Confident88Confident60 Ų6072.3 Ų72.362%0.61938%0.376SS*.THydrogen-bonded Turntrans83.876.6-168.100000110.7Q703 A704Q703-G706 PolarHBondContact O-N 2.94Å; A704-G706 VanDerWaalsContact C-N 3.3Å; A704-G706 PolarHBondContact O-N 3.45Å
707Y85.4Confident88.3Confident54 Ų5476.5 Ų76.521%0.21240%0.403CS..  trans-64.1133.5178.1162-95.9000112.7L702 Y712 D750 N753 F755L702-Y707 HydrophobicContact CD1-CD2 4.22Å; L702-Y707 HydrophobicContact CD2-CD2 3.78Å; L702-Y707 HydrophobicContact CD2-CE2 4.27Å; L702-Y707 HydrophobicContact CG-CD2 3.86Å; L702-Y707 HydrophobicContact CG-CG 4.49Å; L702-Y707 PolarHBondContact O-N 3.34Å; Y707-Y712 HydrophobicContact CD2-CE2 4.21Å; Y707-Y712 HydrophobicContact CE2-CE2 4.02Å; Y707-D750 HydrophobicContact CE1-CB 4.22Å; Y707-D750 WeakPolarHBondContact CE1-O 3.21Å; Y707-D750 WeakPolarHBondContact OH-CB 3.44Å; Y707-D750 PolarHBondContact OH-OD2 2.79Å; Y707-N753 WeakPolarHBondContact CE2-OD1 3.33Å; Y707-F755 HydrophobicContact CE2-CD2 4.42Å; Y707-F755 WeakPolarHBondContact OH-CD2 3.35Å
708N86.8Confident88.4Confident67 Ų6773.8 Ų73.836%0.35839%0.39SS..  trans-129.2120.3174.6178.717.2000110.5N710 D711 Y712N708-N710 VanDerWaalsContact C-N 3.35Å; N708-N710 PolarHBondContact O-N 3.45Å; N708-N710 PolarHBondContact OD1-N 2.98Å; N708-N710 VanDerWaalsContact OD1-N 3.09Å; N708-N710 PolarHBondContact OD1-ND2 3.47Å; N708-D711 PolarHBondContact ND2-OD1 3.15Å; N708-Y712 WeakPolarHBondContact O-CD2 3.23Å
709A87.8Confident88.4Confident4 Ų469.2 Ų69.23%0.03337%0.369CS..Hα-helixtrans-62.4-38176.800000113.2D711 Y712 I713 L746 K747 F755A709-D711 VanDerWaalsContact C-N 3.28Å; A709-D711 PolarHBondContact O-N 3Å; A709-Y712 PolarHBondContact O-N 3.36Å; A709-I713 PolarHBondContact O-N 3.19Å; A709-L746 WeakPolarHBondContact CB-O 3.24Å; A709-K747 WeakPolarHBondContact CB-O 3.42Å; A709-F755 HydrophobicContact CB-CD2 4.02Å; A709-F755 HydrophobicContact CB-CE2 3.29Å; A709-F755 HydrophobicContact CB-CZ 3.72Å
710N88.3Confident88.7Confident50 Ų5072.2 Ų72.227%0.26738%0.381SS..Hα-helixtrans-64.5-31.4-173-67.4-76.9000113N708 Y712 I713 Q714 K747N708-N710 VanDerWaalsContact C-N 3.35Å; N708-N710 PolarHBondContact O-N 3.45Å; N708-N710 PolarHBondContact OD1-N 2.98Å; N708-N710 VanDerWaalsContact OD1-N 3.09Å; N708-N710 PolarHBondContact OD1-ND2 3.47Å; N710-Y712 PolarHBondContact O-N 3.45Å; N710-I713 PolarHBondContact O-N 3.03Å; N710-Q714 WeakPolarHBondContact O-CG 3.36Å; N710-Q714 PolarHBondContact O-N 3.21Å; N710-K747 PolarHBondContact ND2-O 2.84Å
711D88.4Confident89.2Confident65 Ų6571.9 Ų71.935%0.34838%0.38SS..Hα-helixtrans-53.9-39.5172.4-90.351.4000112.5N708 A709 R715N708-D711 PolarHBondContact ND2-OD1 3.15Å; A709-D711 VanDerWaalsContact C-N 3.28Å; A709-D711 PolarHBondContact O-N 3Å; D711-R715 WeakPolarHBondContact O-CB 3.31Å; D711-R715 WeakPolarHBondContact O-CD 3.25Å; D711-R715 WeakPolarHBondContact O-CG 3.33Å; D711-R715 IonicContact OD2-CZ 2.81Å; D711-R715 IonicContact OD2-NH1 2.77Å; D711-R715 IonicContact OD2-NH2 2.79Å; D711-R715 PolarHBondContact OD2-NH2 2.62Å
712Y88Confident89.4Confident78 Ų7868.9 Ų68.931%0.30636%0.355SS..Hα-helixtrans-81.9-35.6-179.2-64.3-93.5000112L702 Y707 N708 A709 N710 R715 N716 F755L702-Y712 WeakPolarHBondContact CD1-OH 3.19Å; Y707-Y712 HydrophobicContact CD2-CE2 4.21Å; Y707-Y712 HydrophobicContact CE2-CE2 4.02Å; N708-Y712 WeakPolarHBondContact O-CD2 3.23Å; A709-Y712 PolarHBondContact O-N 3.36Å; N710-Y712 PolarHBondContact O-N 3.45Å; Y712-R715 PolarHBondContact O-N 2.94Å; Y712-N716 WeakPolarHBondContact O-CB 3.16Å; Y712-N716 PolarHBondContact O-N 3.29Å; Y712-F755 VanDerWaalsContact CB-CG 3.48Å; Y712-F755 HydrophobicContact CD1-CB 3.68Å; Y712-F755 HydrophobicContact CD2-CB 3.83Å; Y712-F755 HydrophobicContact CD2-CD2 4.48Å; Y712-F755 HydrophobicContact CD2-CG 4.02Å; Y712-F755 HydrophobicContact CE1-CB 4.28Å; Y712-F755 HydrophobicContact CE2-CB 4.43Å; Y712-F755 HydrophobicContact CG-CB 3.42Å; Y712-F755 VanDerWaalsContact CG-CB 3.42Å; Y712-F755 HydrophobicContact CG-CD1 4.17Å; Y712-F755 AromaticContact CG-CG 3.8Å; Y712-F755 HydrophobicContact CG-CG 3.8Å
713I88.3Confident89.7Confident5 Ų567.6 Ų67.63%0.02635%0.348CS..Hα-helixtrans-61.7-52.9176.6-64172.3000110.2A709 N710 R715 N716 K720 I723 K747 F755A709-I713 PolarHBondContact O-N 3.19Å; N710-I713 PolarHBondContact O-N 3.03Å; I713-R715 PolarHBondContact O-N 2.88Å; I713-N716 PolarHBondContact O-N 2.68Å; I713-N716 VanDerWaalsContact O-N 3.15Å; I713-K720 HydrophobicContact CG2-CB 4.01Å; I713-K720 HydrophobicContact CG2-CG 4.12Å; I713-I723 HydrophobicContact CD1-CG1 4.33Å; I713-K747 HydrophobicContact CD1-CD 4.47Å; I713-K747 HydrophobicContact CD1-CG 3.67Å; I713-F755 HydrophobicContact CD1-CE1 3.98Å; I713-F755 HydrophobicContact CD1-CZ 3.95Å; I713-F755 HydrophobicContact CG1-CD1 4.27Å; I713-F755 HydrophobicContact CG1-CE1 3.36Å; I713-F755 HydrophobicContact CG1-CZ 3.85Å
714Q89.2Confident90.2Very high123 Ų12365.6 Ų65.658%0.57534%0.341SS*.Hα-helixtrans-68.7-23.2-177.4-55.2-60.1-11.500112.8N710N710-Q714 WeakPolarHBondContact O-CG 3.36Å; N710-Q714 PolarHBondContact O-N 3.21Å
715R89.9Confident90.6Very high180 Ų18061.8 Ų61.868%0.67931%0.307SS*.Hα-helixtrans-82.9-11.1175.1-70.8174.7-166.4144.815.9114.1D711 Y712 I713D711-R715 WeakPolarHBondContact O-CB 3.31Å; D711-R715 WeakPolarHBondContact O-CD 3.25Å; D711-R715 WeakPolarHBondContact O-CG 3.33Å; D711-R715 IonicContact OD2-CZ 2.81Å; D711-R715 IonicContact OD2-NH1 2.77Å; D711-R715 IonicContact OD2-NH2 2.79Å; D711-R715 PolarHBondContact OD2-NH2 2.62Å; Y712-R715 PolarHBondContact O-N 2.94Å; I713-R715 PolarHBondContact O-N 2.88Å
716N89.4Confident90.9Very high22 Ų2253.3 Ų53.312%0.11827%0.27CS..  trans-13097.4-175-171.5-23.1000111.9Y712 I713 E718 L719 K720 Q758Y712-N716 WeakPolarHBondContact O-CB 3.16Å; Y712-N716 PolarHBondContact O-N 3.29Å; I713-N716 PolarHBondContact O-N 2.68Å; I713-N716 VanDerWaalsContact O-N 3.15Å; N716-E718 VanDerWaalsContact C-N 3.31Å; N716-E718 PolarHBondContact O-N 3.28Å; N716-E718 PolarHBondContact OD1-N 2.98Å; N716-L719 HydrophobicContact CB-CB 3.88Å; N716-L719 PolarHBondContact O-N 2.89Å; N716-L719 VanDerWaalsContact O-N 3.09Å; N716-L719 PolarHBondContact OD1-N 3.35Å; N716-K720 PolarHBondContact O-N 3.13Å; N716-Q758 PolarHBondContact ND2-OE1 3.44Å
717P93.1Very high91.3Very high105 Ų10553.2 Ų53.268%0.68225%0.254SS*.Hα-helixtrans-59.3-33.8-177.8-27.235.8000115Q721P717-Q721 WeakPolarHBondContact O-CB 3.37Å; P717-Q721 PolarHBondContact O-N 3.43Å
718E92Very high91.7Very high62 Ų6255.1 Ų55.129%0.2927%0.271SS..Hα-helixtrans-69.9-37.2177-65.7-174.8116.800111.2R570 N716 I722R570-E718 IonicContact CZ-OE1 2.65Å; R570-E718 VanDerWaalsContact CZ-OE1 3.23Å; R570-E718 IonicContact CZ-OE2 3.19Å; R570-E718 IonicContact NE-OE1 3.77Å; R570-E718 PolarHBondContact NE-OE1 2.92Å; R570-E718 IonicContact NE-OE2 3.95Å; R570-E718 IonicContact NH2-OE1 2.95Å; R570-E718 PolarHBondContact NH2-OE1 2.93Å; R570-E718 IonicContact NH2-OE2 2.84Å; R570-E718 PolarHBondContact NH2-OE2 3.33Å; N716-E718 VanDerWaalsContact C-N 3.31Å; N716-E718 PolarHBondContact O-N 3.28Å; N716-E718 PolarHBondContact OD1-N 2.98Å; E718-I722 VanDerWaalsContact O-CD1 3.3Å; E718-I722 WeakPolarHBondContact O-CD1 3.4Å; E718-I722 VanDerWaalsContact O-CG1 3.25Å; E718-I722 WeakPolarHBondContact O-CG1 3.38Å; E718-I722 PolarHBondContact O-N 3Å
719L90.2Very high92.1Very high2 Ų252.1 Ų52.11%0.0126%0.256CS..Hα-helixtrans-72.7-40.3176.8-17251.5000112.1M562 N716 Q721 I722 I723 F755 F757M562-L719 HydrophobicContact CE-CD1 4.25Å; M562-L719 HydrophobicContact SD-CD1 3.61Å; N716-L719 HydrophobicContact CB-CB 3.88Å; N716-L719 PolarHBondContact O-N 2.89Å; N716-L719 VanDerWaalsContact O-N 3.09Å; N716-L719 PolarHBondContact OD1-N 3.35Å; L719-Q721 VanDerWaalsContact C-N 3.34Å; L719-Q721 PolarHBondContact O-N 3.49Å; L719-I722 PolarHBondContact O-N 2.89Å; L719-I722 VanDerWaalsContact O-N 3.12Å; L719-I723 WeakPolarHBondContact O-CG1 3.39Å; L719-I723 PolarHBondContact O-N 3.12Å; L719-F755 HydrophobicContact CD2-CD1 3.33Å; L719-F755 HydrophobicContact CD2-CE1 3.58Å; L719-F755 HydrophobicContact CD2-CG 4.49Å; L719-F755 HydrophobicContact CG-CD1 4.42Å; L719-F755 HydrophobicContact CG-CE1 4.22Å; L719-F757 HydrophobicContact CB-CD1 4.02Å; L719-F757 HydrophobicContact CB-CE1 3.78Å; L719-F757 HydrophobicContact CD1-CD1 3.96Å; L719-F757 HydrophobicContact CD1-CD2 4.34Å; L719-F757 HydrophobicContact CD1-CE1 4.01Å; L719-F757 HydrophobicContact CD1-CE2 4.4Å; L719-F757 HydrophobicContact CD1-CG 4.11Å; L719-F757 HydrophobicContact CD1-CZ 4.22Å; L719-F757 HydrophobicContact CD2-CB 4.25Å; L719-F757 HydrophobicContact CD2-CD1 3.76Å; L719-F757 HydrophobicContact CD2-CE1 4.35Å; L719-F757 HydrophobicContact CD2-CG 4.18Å; L719-F757 HydrophobicContact CG-CD1 4.15Å; L719-F757 HydrophobicContact CG-CE1 4.27Å
720K93.7Very high92.5Very high75 Ų7556.4 Ų56.433%0.32627%0.274SS..Hα-helixtrans-56.2-48.8171.6-176.2167-177.11720111.2I713 N716 I722 I723 D724I713-K720 HydrophobicContact CG2-CB 4.01Å; I713-K720 HydrophobicContact CG2-CG 4.12Å; N716-K720 PolarHBondContact O-N 3.13Å; K720-I722 VanDerWaalsContact C-N 3.26Å; K720-I722 PolarHBondContact O-N 2.67Å; K720-I723 PolarHBondContact O-N 2.94Å; K720-D724 WeakPolarHBondContact CG-OD2 3.34Å; K720-D724 WeakPolarHBondContact O-CB 3.5Å; K720-D724 PolarHBondContact O-N 3.29Å
721Q96.1Very high92.8Very high86 Ų8654.4 Ų54.440%0.40226%0.263SS..Hα-helixtrans-53.8-41174.4-176.3-177.82.800112.7N569 P717 L719 Q725N569-Q721 PolarHBondContact ND2-NE2 3.15Å; P717-Q721 WeakPolarHBondContact O-CB 3.37Å; P717-Q721 PolarHBondContact O-N 3.43Å; L719-Q721 VanDerWaalsContact C-N 3.34Å; L719-Q721 PolarHBondContact O-N 3.49Å; Q721-Q725 HydrophobicContact CG-CG 4.49Å; Q721-Q725 WeakPolarHBondContact O-CB 3.28Å; Q721-Q725 WeakPolarHBondContact O-CG 3.27Å; Q721-Q725 PolarHBondContact O-N 3.33Å; Q721-Q725 PolarHBondContact O-OE1 3.23Å
722I94.8Very high93.1Very high0 Ų051.7 Ų51.70%025%0.249CC..Hα-helixtrans-68-45.6179.6-66.3158.1000111.6M562 I565 T566 E718 L719 K720 Q725 I726 F757M562-I722 HydrophobicContact CB-CD1 4.47Å; M562-I722 HydrophobicContact CB-CG2 4.11Å; M562-I722 HydrophobicContact CG-CG2 3.78Å; M562-I722 WeakPolarHBondContact O-CD1 3.42Å; M562-I722 HydrophobicContact SD-CG2 4.33Å; I565-I722 HydrophobicContact CB-CG1 4.24Å; I565-I722 HydrophobicContact CB-CG2 4.39Å; I565-I722 HydrophobicContact CD1-CG2 4.06Å; I565-I722 HydrophobicContact CG2-CB 4.49Å; I565-I722 HydrophobicContact CG2-CG1 3.81Å; I565-I722 HydrophobicContact CG2-CG2 4.32Å; T566-I722 VanDerWaalsContact OG1-CD1 3.31Å; T566-I722 WeakPolarHBondContact OG1-CD1 3.35Å; E718-I722 VanDerWaalsContact O-CD1 3.3Å; E718-I722 WeakPolarHBondContact O-CD1 3.4Å; E718-I722 VanDerWaalsContact O-CG1 3.25Å; E718-I722 WeakPolarHBondContact O-CG1 3.38Å; E718-I722 PolarHBondContact O-N 3Å; L719-I722 PolarHBondContact O-N 2.89Å; L719-I722 VanDerWaalsContact O-N 3.12Å; K720-I722 VanDerWaalsContact C-N 3.26Å; K720-I722 PolarHBondContact O-N 2.67Å; I722-Q725 PolarHBondContact O-N 3.08Å; I722-I726 HydrophobicContact CG2-CD1 3.93Å; I722-I726 VanDerWaalsContact O-CG1 3.3Å; I722-I726 WeakPolarHBondContact O-CG1 3.49Å; I722-I726 PolarHBondContact O-N 3.14Å; I722-I726 VanDerWaalsContact O-N 3.08Å; I722-F757 HydrophobicContact CD1-CE2 4Å; I722-F757 HydrophobicContact CD1-CZ 3.58Å
723I93.5Very high93.4Very high1 Ų153.1 Ų53.11%0.00527%0.268CS..Hα-helixtrans-64-46.2177.2-60.3-57.8000110.4M562 I713 L719 K720 Q725 I726 E727 L746 K747M562-I723 HydrophobicContact SD-CD1 4.35Å; I713-I723 HydrophobicContact CD1-CG1 4.33Å; L719-I723 WeakPolarHBondContact O-CG1 3.39Å; L719-I723 PolarHBondContact O-N 3.12Å; K720-I723 PolarHBondContact O-N 2.94Å; I723-Q725 VanDerWaalsContact C-N 3.32Å; I723-Q725 PolarHBondContact O-N 2.95Å; I723-I726 PolarHBondContact O-N 3.05Å; I723-I726 VanDerWaalsContact O-N 3.17Å; I723-E727 WeakPolarHBondContact O-CB 3.23Å; I723-E727 PolarHBondContact O-N 2.96Å; I723-L746 HydrophobicContact CD1-CB 3.95Å; I723-L746 HydrophobicContact CD1-CD1 3.76Å; I723-L746 HydrophobicContact CD1-CG 4.39Å; I723-K747 HydrophobicContact CG2-CD 3.88Å; I723-K747 HydrophobicContact CG2-CG 3.97Å
724D95.6Very high93.7Very high65 Ų6558.7 Ų58.735%0.34831%0.307SS..Hα-helixtrans-59.2-42177.4-63.6-10.6000110.6K720 I726 E727 T728K720-D724 WeakPolarHBondContact CG-OD2 3.34Å; K720-D724 WeakPolarHBondContact O-CB 3.5Å; K720-D724 PolarHBondContact O-N 3.29Å; D724-I726 PolarHBondContact O-N 2.98Å; D724-E727 PolarHBondContact O-N 3.11Å; D724-T728 VanDerWaalsContact O-CB 3.3Å; D724-T728 WeakPolarHBondContact O-CB 3.4Å; D724-T728 WeakPolarHBondContact O-CG2 3.3Å; D724-T728 PolarHBondContact O-N 2.89Å; D724-T728 PolarHBondContact O-OG1 2.87Å
725Q96.9Very high93.9Very high14 Ų1456.3 Ų56.37%0.06530%0.298CS..Hα-helixtrans-65.1-36.4176.1-79.3172.8-49.200113.7N569 Q721 I722 I723 F730 F731N569-Q725 PolarHBondContact ND2-OE1 3.29Å; N569-Q725 PolarHBondContact OD1-NE2 2.82Å; N569-Q725 PolarHBondContact OD1-OE1 2.78Å; Q721-Q725 HydrophobicContact CG-CG 4.49Å; Q721-Q725 WeakPolarHBondContact O-CB 3.28Å; Q721-Q725 WeakPolarHBondContact O-CG 3.27Å; Q721-Q725 PolarHBondContact O-N 3.33Å; Q721-Q725 PolarHBondContact O-OE1 3.23Å; I722-Q725 PolarHBondContact O-N 3.08Å; I723-Q725 VanDerWaalsContact C-N 3.32Å; I723-Q725 PolarHBondContact O-N 2.95Å; Q725-F730 HydrophobicContact CB-CB 3.82Å; Q725-F730 HydrophobicContact CB-CD1 4.23Å; Q725-F730 HydrophobicContact CB-CG 4.16Å; Q725-F730 HydrophobicContact CG-CB 3.86Å; Q725-F730 HydrophobicContact CG-CD1 3.97Å; Q725-F730 HydrophobicContact CG-CD2 4.29Å; Q725-F730 HydrophobicContact CG-CG 3.77Å; Q725-F730 WeakPolarHBondContact O-CB 3.46Å; Q725-F730 PolarHBondContact O-N 3.26Å; Q725-F730 VanDerWaalsContact O-N 3.13Å; Q725-F731 HydrophobicContact CB-CD2 4.45Å; Q725-F731 HydrophobicContact CB-CE2 3.76Å; Q725-F731 HydrophobicContact CB-CZ 4.38Å
726I95.7Very high94.1Very high2 Ų250.4 Ų50.41%0.0128%0.283CS..Hα-helixtrans-72.2-39.2177-66.6164.6000110.5I565 L603 I722 I723 D724 F731 F739 A743I565-I726 HydrophobicContact CD1-CD1 4.27Å; I565-I726 HydrophobicContact CD1-CG1 4.44Å; L603-I726 HydrophobicContact CD1-CG1 4.44Å; L603-I726 HydrophobicContact CD1-CG2 4.38Å; L603-I726 HydrophobicContact CD2-CD1 4.2Å; L603-I726 HydrophobicContact CD2-CG1 4.35Å; L603-I726 HydrophobicContact CD2-CG2 4.14Å; I722-I726 HydrophobicContact CG2-CD1 3.93Å; I722-I726 VanDerWaalsContact O-CG1 3.3Å; I722-I726 WeakPolarHBondContact O-CG1 3.49Å; I722-I726 PolarHBondContact O-N 3.14Å; I722-I726 VanDerWaalsContact O-N 3.08Å; I723-I726 PolarHBondContact O-N 3.05Å; I723-I726 VanDerWaalsContact O-N 3.17Å; D724-I726 PolarHBondContact O-N 2.98Å; I726-F731 HydrophobicContact CG1-CE2 4.34Å; I726-F739 HydrophobicContact CG2-CB 3.8Å; I726-A743 HydrophobicContact CG2-CB 4.43Å
727E94.8Very high94.3Very high57 Ų5753.6 Ų53.627%0.26630%0.3SS..Hα-helixtrans-78.7-38.8-177.6178.9164.4-13400114.5I723 D724 G729 A743 K747I723-E727 WeakPolarHBondContact O-CB 3.23Å; I723-E727 PolarHBondContact O-N 2.96Å; D724-E727 PolarHBondContact O-N 3.11Å; E727-G729 VanDerWaalsContact C-N 3.3Å; E727-G729 PolarHBondContact O-N 2.88Å; E727-A743 HydrophobicContact CB-CB 3.81Å; E727-A743 HydrophobicContact CG-CB 4.37Å; E727-K747 IonicContact OE1-NZ 2.84Å; E727-K747 PolarHBondContact OE1-NZ 2.79Å; E727-K747 IonicContact OE2-NZ 3.49Å; E727-K747 PolarHBondContact OE2-NZ 3.13Å
728T94Very high94.4Very high95 Ų9550 Ų5058%0.58327%0.274SS*.THydrogen-bonded Turntrans-88.76.7-174.361.40000113.8D724D724-T728 VanDerWaalsContact O-CB 3.3Å; D724-T728 WeakPolarHBondContact O-CB 3.4Å; D724-T728 WeakPolarHBondContact O-CG2 3.3Å; D724-T728 PolarHBondContact O-N 2.89Å; D724-T728 PolarHBondContact O-OG1 2.87Å
729G93.7Very high94.6Very high4 Ų447 Ų474%0.04126%0.261CS..THydrogen-bonded Turntrans77.721.9176.100000115.6E727 F731 T732E727-G729 VanDerWaalsContact C-N 3.3Å; E727-G729 PolarHBondContact O-N 2.88Å; G729-F731 PolarHBondContact O-N 3.5Å; G729-T732 CarbonylContact O-C 3.42Å; G729-T732 WeakPolarHBondContact O-CA 3.17Å; G729-T732 PolarHBondContact O-N 3.36Å
730F96.4Very high94.7Very high93 Ų9351.1 Ų51.141%0.40828%0.279SS..THydrogen-bonded Turntrans-55.8-36.5178.5175.8-91.7000112.2Y568 Q725Y568-F730 AromaticContact CE1-CE1 3.83Å; Y568-F730 HydrophobicContact CE1-CE1 3.83Å; Y568-F730 HydrophobicContact CE1-CZ 4.06Å; Q725-F730 HydrophobicContact CB-CB 3.82Å; Q725-F730 HydrophobicContact CB-CD1 4.23Å; Q725-F730 HydrophobicContact CB-CG 4.16Å; Q725-F730 HydrophobicContact CG-CB 3.86Å; Q725-F730 HydrophobicContact CG-CD1 3.97Å; Q725-F730 HydrophobicContact CG-CD2 4.29Å; Q725-F730 HydrophobicContact CG-CG 3.77Å; Q725-F730 WeakPolarHBondContact O-CB 3.46Å; Q725-F730 PolarHBondContact O-N 3.26Å; Q725-F730 VanDerWaalsContact O-N 3.13Å
731F96Very high94.7Very high9 Ų951.5 Ų51.54%0.03928%0.284CS..THydrogen-bonded Turntrans-87.4-12.4174.8-56.4-74.6000113.5I565 V606 V607 V610 Q725 I726 G729I565-F731 HydrophobicContact CD1-CE2 3.95Å; I565-F731 HydrophobicContact CD1-CZ 3.93Å; I565-F731 HydrophobicContact CG1-CE2 4.42Å; I565-F731 HydrophobicContact CG1-CZ 3.87Å; I565-F731 HydrophobicContact CG2-CE2 4.46Å; I565-F731 HydrophobicContact CG2-CZ 3.8Å; V606-F731 HydrophobicContact CG1-CB 4.04Å; V606-F731 WeakPolarHBondContact CG1-O 3.4Å; V607-F731 HydrophobicContact CB-CD1 4.41Å; V607-F731 HydrophobicContact CG1-CE1 4.23Å; V607-F731 HydrophobicContact CG2-CB 4.47Å; V607-F731 HydrophobicContact CG2-CD1 3.8Å; V607-F731 HydrophobicContact CG2-CD2 4.03Å; V607-F731 HydrophobicContact CG2-CE1 3.98Å; V607-F731 HydrophobicContact CG2-CE2 4.18Å; V607-F731 HydrophobicContact CG2-CG 3.83Å; V607-F731 HydrophobicContact CG2-CZ 4.17Å; V610-F731 HydrophobicContact CB-CD1 4.19Å; V610-F731 HydrophobicContact CG1-CD1 4.27Å; V610-F731 HydrophobicContact CG1-CE1 4.48Å; V610-F731 HydrophobicContact CG2-CD1 4.12Å; Q725-F731 HydrophobicContact CB-CD2 4.45Å; Q725-F731 HydrophobicContact CB-CE2 3.76Å; Q725-F731 HydrophobicContact CB-CZ 4.38Å; I726-F731 HydrophobicContact CG1-CE2 4.34Å; G729-F731 PolarHBondContact O-N 3.5Å
732T94.8Very high94.6Very high7 Ų747.4 Ų47.44%0.04327%0.265CS..  trans-134.361.2-17753.50000113.3V606 G729 S734 N735 M738 F739V606-T732 HydrophobicContact CG1-CG2 3.74Å; G729-T732 CarbonylContact O-C 3.42Å; G729-T732 WeakPolarHBondContact O-CA 3.17Å; G729-T732 PolarHBondContact O-N 3.36Å; T732-S734 PolarHBondContact O-N 3.39Å; T732-N735 VanDerWaalsContact CB-O 3.31Å; T732-N735 WeakPolarHBondContact CB-O 3.47Å; T732-N735 CarbonylContact O-C 3.41Å; T732-N735 PolarHBondContact O-N 3.16Å; T732-N735 VanDerWaalsContact O-O 3.09Å; T732-N735 PolarHBondContact OG1-O 2.75Å; T732-M738 HydrophobicContact CG2-CB 4.22Å; T732-M738 HydrophobicContact CG2-CE 3.69Å; T732-M738 HydrophobicContact CG2-SD 3.69Å; T732-F739 HydrophobicContact CG2-CD2 3.97Å; T732-F739 HydrophobicContact CG2-CE2 3.5Å; T732-F739 VanDerWaalsContact CG2-CE2 3.5Å; T732-F739 HydrophobicContact CG2-CZ 4.48Å
733P93.5Very high94.6Very high109 Ų10947.4 Ų47.471%0.70827%0.265SS*.THydrogen-bonded Turntrans-59.9-25.5-172.6-25.635.9000115
734S93.5Very high94.6Very high121 Ų12150.3 Ų50.385%0.84628%0.28SS*.THydrogen-bonded Turntrans-81.6-13176.654.10000114.6T732T732-S734 PolarHBondContact O-N 3.39Å
735N94.1Very high94.4Very high74 Ų7448.2 Ų48.240%0.39627%0.27SS..  trans-152.482.9171.7-179.5-4.2000108.5T732 D737 M738T732-N735 VanDerWaalsContact CB-O 3.31Å; T732-N735 WeakPolarHBondContact CB-O 3.47Å; T732-N735 CarbonylContact O-C 3.41Å; T732-N735 PolarHBondContact O-N 3.16Å; T732-N735 VanDerWaalsContact O-O 3.09Å; T732-N735 PolarHBondContact OG1-O 2.75Å; N735-D737 PolarHBondContact O-N 2.7Å; N735-M738 HydrophobicContact CB-CB 4.5Å; N735-M738 HydrophobicContact CB-CE 3.87Å; N735-M738 WeakPolarHBondContact O-CB 3.38Å; N735-M738 PolarHBondContact O-N 3.44Å; N735-M738 PolarHBondContact OD1-N 2.7Å
736P93.7Very high94.1Very high56 Ų5647.5 Ų47.536%0.36427%0.267SS..G310 helixtrans-62.1-30.4-173.1-27.337000113.8M738P736-M738 VanDerWaalsContact C-N 3.25Å; P736-M738 PolarHBondContact O-N 2.86Å
737D94.5Very high93.8Very high88 Ų8849.2 Ų49.247%0.47127%0.274SS..G310 helixtrans-75.4-9.7-175.8-78.723000114N735 F739 K740N735-D737 PolarHBondContact O-N 2.7Å; D737-F739 PolarHBondContact O-N 2.89Å; D737-K740 HydrophobicContact CB-CD 3.96Å; D737-K740 HydrophobicContact CB-CG 4.48Å; D737-K740 WeakPolarHBondContact O-CB 3.08Å; D737-K740 PolarHBondContact O-N 2.92Å; D737-K740 WeakPolarHBondContact OD1-CE 3.18Å; D737-K740 IonicContact OD1-NZ 2.73Å; D737-K740 PolarHBondContact OD1-NZ 2.96Å; D737-K740 WeakPolarHBondContact OD2-CE 3.47Å; D737-K740 IonicContact OD2-NZ 3.57Å; D737-K740 PolarHBondContact OD2-NZ 3.49Å
738M94.6Very high93.6Very high29 Ų2951 Ų5114%0.14329%0.285CS..G310 helixtrans-51.5-31.9-169.2-171.2-178.7-5100115R602 T732 N735 P736R602-M738 PolarHBondContact NE-SD 3.19Å; T732-M738 HydrophobicContact CG2-CB 4.22Å; T732-M738 HydrophobicContact CG2-CE 3.69Å; T732-M738 HydrophobicContact CG2-SD 3.69Å; N735-M738 HydrophobicContact CB-CB 4.5Å; N735-M738 HydrophobicContact CB-CE 3.87Å; N735-M738 WeakPolarHBondContact O-CB 3.38Å; N735-M738 PolarHBondContact O-N 3.44Å; N735-M738 PolarHBondContact OD1-N 2.7Å; P736-M738 VanDerWaalsContact C-N 3.25Å; P736-M738 PolarHBondContact O-N 2.86Å
739F96.4Very high93.2Very high1 Ų151.7 Ų51.70%0.00428%0.282CS..G310 helixtrans-116.617.5-176.5-61.1-60.2000114.2R602 L603 V606 I726 T732 D737 D741 V742 A743R602-F739 HydrophobicContact CB-CE1 4.04Å; R602-F739 HydrophobicContact CB-CZ 4.28Å; R602-F739 HydrophobicContact CG-CE1 4.09Å; R602-F739 HydrophobicContact CG-CZ 3.97Å; L603-F739 HydrophobicContact CB-CD1 4.08Å; L603-F739 HydrophobicContact CB-CE1 3.73Å; L603-F739 HydrophobicContact CB-CE2 4.42Å; L603-F739 HydrophobicContact CB-CZ 3.91Å; L603-F739 HydrophobicContact CD1-CD1 4.17Å; L603-F739 HydrophobicContact CD1-CD2 3.51Å; L603-F739 HydrophobicContact CD1-CE1 4.24Å; L603-F739 HydrophobicContact CD1-CE2 3.56Å; L603-F739 HydrophobicContact CD1-CG 3.81Å; L603-F739 HydrophobicContact CD1-CZ 3.95Å; V606-F739 HydrophobicContact CB-CE2 4.37Å; V606-F739 HydrophobicContact CB-CZ 4.44Å; V606-F739 HydrophobicContact CG1-CE2 4.44Å; V606-F739 HydrophobicContact CG2-CZ 4.28Å; I726-F739 HydrophobicContact CG2-CB 3.8Å; T732-F739 HydrophobicContact CG2-CD2 3.97Å; T732-F739 HydrophobicContact CG2-CE2 3.5Å; T732-F739 VanDerWaalsContact CG2-CE2 3.5Å; T732-F739 HydrophobicContact CG2-CZ 4.48Å; D737-F739 PolarHBondContact O-N 2.89Å; F739-D741 PolarHBondContact O-N 3.15Å; F739-V742 HydrophobicContact CB-CB 4.49Å; F739-V742 HydrophobicContact CB-CG2 4.33Å; F739-V742 HydrophobicContact CD1-CG2 4.06Å; F739-V742 PolarHBondContact O-N 3.33Å; F739-A743 PolarHBondContact O-N 3.31Å
740K93.3Very high92.7Very high88 Ų8851.9 Ų51.938%0.38328%0.282SS..Hα-helixtrans-53.7-38.6173.8-82.2-178.2175.2174.30112.9D737 V742 A743 N744D737-K740 HydrophobicContact CB-CD 3.96Å; D737-K740 HydrophobicContact CB-CG 4.48Å; D737-K740 WeakPolarHBondContact O-CB 3.08Å; D737-K740 PolarHBondContact O-N 2.92Å; D737-K740 WeakPolarHBondContact OD1-CE 3.18Å; D737-K740 IonicContact OD1-NZ 2.73Å; D737-K740 PolarHBondContact OD1-NZ 2.96Å; D737-K740 WeakPolarHBondContact OD2-CE 3.47Å; D737-K740 IonicContact OD2-NZ 3.57Å; D737-K740 PolarHBondContact OD2-NZ 3.49Å; K740-V742 PolarHBondContact O-N 2.95Å; K740-A743 PolarHBondContact O-N 3.03Å; K740-N744 VanDerWaalsContact O-CB 3.24Å; K740-N744 WeakPolarHBondContact O-CB 3.2Å; K740-N744 PolarHBondContact O-N 2.88Å
741D92.9Very high91.8Very high82 Ų8256.6 Ų56.644%0.43930%0.297SS..Hα-helixtrans-64.2-39177.2-63.9-35.6000112.7H595 M596 F739 N744 V745H595-D741 IonicContact NE2-OD2 3.64Å; M596-D741 HydrophobicContact CE-CB 4.19Å; F739-D741 PolarHBondContact O-N 3.15Å; D741-N744 PolarHBondContact O-N 3.39Å; D741-V745 PolarHBondContact O-N 3.04Å
742V94.8Very high91Very high1 Ų156.6 Ų56.61%0.00630%0.298CS..Hα-helixtrans-67.7-44.7177.1-169.30000110.2L558 M596 Q599 L603 F739 K740 N744 V745 L746L558-V742 HydrophobicContact CD1-CG1 4Å; L558-V742 HydrophobicContact CD2-CG1 3.9Å; M596-V742 HydrophobicContact SD-CB 4.45Å; M596-V742 HydrophobicContact SD-CG1 4.42Å; M596-V742 HydrophobicContact SD-CG2 4.06Å; Q599-V742 HydrophobicContact CB-CG2 3.83Å; L603-V742 HydrophobicContact CD2-CG1 4.08Å; F739-V742 HydrophobicContact CB-CB 4.49Å; F739-V742 HydrophobicContact CB-CG2 4.33Å; F739-V742 HydrophobicContact CD1-CG2 4.06Å; F739-V742 PolarHBondContact O-N 3.33Å; K740-V742 PolarHBondContact O-N 2.95Å; V742-N744 VanDerWaalsContact C-N 3.33Å; V742-N744 PolarHBondContact O-N 3.11Å; V742-V745 PolarHBondContact O-N 3.45Å; V742-L746 HydrophobicContact CG1-CD1 4.15Å; V742-L746 WeakPolarHBondContact O-CB 3.39Å; V742-L746 VanDerWaalsContact O-CG 3.31Å; V742-L746 WeakPolarHBondContact O-CG 3.48Å; V742-L746 PolarHBondContact O-N 3.18Å
743A93.9Very high90.1Very high0 Ų056.4 Ų56.40%030%0.297CS..Hα-helixtrans-64.6-36.3175.300000112.3I726 E727 F739 K740 L746 K747I726-A743 HydrophobicContact CG2-CB 4.43Å; E727-A743 HydrophobicContact CB-CB 3.81Å; E727-A743 HydrophobicContact CG-CB 4.37Å; F739-A743 PolarHBondContact O-N 3.31Å; K740-A743 PolarHBondContact O-N 3.03Å; A743-L746 PolarHBondContact O-N 2.89Å; A743-K747 WeakPolarHBondContact O-CB 3.28Å; A743-K747 WeakPolarHBondContact O-CE 3.24Å; A743-K747 VanDerWaalsContact O-CG 3.31Å; A743-K747 WeakPolarHBondContact O-CG 3.49Å; A743-K747 PolarHBondContact O-N 3.01Å
744N93.8Very high88.8Confident61 Ų6151.3 Ų51.333%0.32626%0.263SS..Hα-helixtrans-66.2-45.4175.5-178.148.6000111.6K740 D741 V742 L746 K747 N748K740-N744 VanDerWaalsContact O-CB 3.24Å; K740-N744 WeakPolarHBondContact O-CB 3.2Å; K740-N744 PolarHBondContact O-N 2.88Å; D741-N744 PolarHBondContact O-N 3.39Å; V742-N744 VanDerWaalsContact C-N 3.33Å; V742-N744 PolarHBondContact O-N 3.11Å; N744-L746 PolarHBondContact O-N 2.81Å; N744-K747 PolarHBondContact O-N 2.77Å; N744-N748 WeakPolarHBondContact O-CB 3.48Å; N744-N748 PolarHBondContact O-N 3.12Å; N744-N748 PolarHBondContact OD1-ND2 3.19Å
745V91.6Very high87.3Confident21 Ų2146 Ų4613%0.12723%0.225CC..Hα-helixtrans-59.7-47.5173.7168.40000110.9M596 D741 V742 K747 H749 D750M596-V745 HydrophobicContact CE-CB 4.42Å; M596-V745 HydrophobicContact CE-CG2 3.78Å; D741-V745 PolarHBondContact O-N 3.04Å; V742-V745 PolarHBondContact O-N 3.45Å; V745-K747 VanDerWaalsContact C-N 3.28Å; V745-K747 PolarHBondContact O-N 3.31Å; V745-H749 CarbonylContact O-C 3.48Å; V745-H749 VanDerWaalsContact O-C 3.25Å; V745-H749 WeakPolarHBondContact O-CA 3.4Å; V745-H749 PolarHBondContact O-N 2.84Å; V745-D750 PolarHBondContact O-N 3.37Å
746L90.1Very high85.8Confident0 Ų043 Ų430%021%0.209CC..Hα-helixtrans-60.8-32.5178.2-71.2166.1000113.4L558 A709 I723 V742 A743 N744 F754 F755L558-L746 HydrophobicContact CD1-CD2 4.36Å; A709-L746 WeakPolarHBondContact CB-O 3.24Å; I723-L746 HydrophobicContact CD1-CB 3.95Å; I723-L746 HydrophobicContact CD1-CD1 3.76Å; I723-L746 HydrophobicContact CD1-CG 4.39Å; V742-L746 HydrophobicContact CG1-CD1 4.15Å; V742-L746 WeakPolarHBondContact O-CB 3.39Å; V742-L746 VanDerWaalsContact O-CG 3.31Å; V742-L746 WeakPolarHBondContact O-CG 3.48Å; V742-L746 PolarHBondContact O-N 3.18Å; A743-L746 PolarHBondContact O-N 2.89Å; N744-L746 PolarHBondContact O-N 2.81Å; L746-F754 HydrophobicContact CD2-CB 4.07Å; L746-F754 HydrophobicContact CD2-CD2 3.42Å; L746-F754 VanDerWaalsContact CD2-CD2 3.42Å; L746-F754 HydrophobicContact CD2-CE2 4.01Å; L746-F754 HydrophobicContact CD2-CG 3.78Å; L746-F755 WeakPolarHBondContact O-CE2 3.19Å; L746-F755 VanDerWaalsContact O-CZ 3.27Å; L746-F755 WeakPolarHBondContact O-CZ 3.4Å
747K90.3Very high84.7Confident38 Ų3840.4 Ų40.417%0.16519%0.192CC..Hα-helixtrans-90.5-30.5-178.5-73.5-173.9-66.4175.90115.3A709 N710 I713 I723 E727 A743 N744 V745A709-K747 WeakPolarHBondContact CB-O 3.42Å; N710-K747 PolarHBondContact ND2-O 2.84Å; I713-K747 HydrophobicContact CD1-CD 4.47Å; I713-K747 HydrophobicContact CD1-CG 3.67Å; I723-K747 HydrophobicContact CG2-CD 3.88Å; I723-K747 HydrophobicContact CG2-CG 3.97Å; E727-K747 IonicContact OE1-NZ 2.84Å; E727-K747 PolarHBondContact OE1-NZ 2.79Å; E727-K747 IonicContact OE2-NZ 3.49Å; E727-K747 PolarHBondContact OE2-NZ 3.13Å; A743-K747 WeakPolarHBondContact O-CB 3.28Å; A743-K747 WeakPolarHBondContact O-CE 3.24Å; A743-K747 VanDerWaalsContact O-CG 3.31Å; A743-K747 WeakPolarHBondContact O-CG 3.49Å; A743-K747 PolarHBondContact O-N 3.01Å; N744-K747 PolarHBondContact O-N 2.77Å; V745-K747 VanDerWaalsContact C-N 3.28Å; V745-K747 PolarHBondContact O-N 3.31Å
748N89.4Confident83.4Confident93 Ų9340.9 Ų40.950%0.49719%0.192SC..Hα-helixtrans-129.1-19.1-166-62.2-37.5000114.2N744N744-N748 WeakPolarHBondContact O-CB 3.48Å; N744-N748 PolarHBondContact O-N 3.12Å; N744-N748 PolarHBondContact OD1-ND2 3.19Å
749H86Confident82.3Confident111 Ų11144 Ų4451%0.51421%0.206SC..  trans-136.722.6-172.4-53.5-45.7000114.3V745 R751V745-H749 CarbonylContact O-C 3.48Å; V745-H749 VanDerWaalsContact O-C 3.25Å; V745-H749 WeakPolarHBondContact O-CA 3.4Å; V745-H749 PolarHBondContact O-N 2.84Å; H749-R751 PolarHBondContact O-N 2.79Å
750D82.9Confident81.1Confident7 Ų744 Ų444%0.03721%0.206CC..  trans-69.391.1-177.4177.89.9000112.4Y707 V745 C752 N753 F754 F755Y707-D750 HydrophobicContact CE1-CB 4.22Å; Y707-D750 WeakPolarHBondContact CE1-O 3.21Å; Y707-D750 WeakPolarHBondContact OH-CB 3.44Å; Y707-D750 PolarHBondContact OH-OD2 2.79Å; V745-D750 PolarHBondContact O-N 3.37Å; D750-C752 PolarHBondContact O-N 2.86Å; D750-C752 WeakPolarHBondContact OD1-CA 3.42Å; D750-C752 PolarHBondContact OD1-N 2.77Å; D750-N753 PolarHBondContact OD1-N 2.89Å; D750-F754 HydrophobicContact CB-CD2 4.35Å; D750-F754 WeakPolarHBondContact OD1-CD2 3.48Å; D750-F754 VanDerWaalsContact OD2-CB 3.29Å; D750-F754 WeakPolarHBondContact OD2-CB 3.35Å; D750-F754 WeakPolarHBondContact OD2-CD2 3.4Å; D750-F754 PolarHBondContact OD2-N 3.48Å; D750-F755 HydrophobicContact CB-CE2 4.36Å; D750-F755 WeakPolarHBondContact OD2-CD2 3.34Å; D750-F755 WeakPolarHBondContact OD2-CE2 3.27Å
751R78.5Confident80.2Confident193 Ų19340.4 Ų40.473%0.72819%0.191SC*.THydrogen-bonded Turntrans-71.9-12.8172.3-60.9-177.7-178.3-168.70113.7H749H749-R751 PolarHBondContact O-N 2.79Å
752C78.6Confident79.2Confident9 Ų943.6 Ų43.66%0.06120%0.201CC..THydrogen-bonded Turntrans-103.7-2.9-167.2-61.30000113.7Y554 R556 T649 D750 F754Y554-C752 PolarHBondContact N-SG 2.96Å; R556-C752 WeakPolarHBondContact CD-O 3.38Å; R556-C752 HydrophobicContact CG-CB 4.13Å; R556-C752 PolarHBondContact NH1-O 2.97Å; T649-C752 WeakPolarHBondContact CG2-O 3.33Å; T649-C752 PolarHBondContact OG1-O 3.21Å; D750-C752 PolarHBondContact O-N 2.86Å; D750-C752 WeakPolarHBondContact OD1-CA 3.42Å; D750-C752 PolarHBondContact OD1-N 2.77Å; C752-F754 HydrophobicContact CB-CD2 4.19Å; C752-F754 HydrophobicContact CB-CE1 4.46Å; C752-F754 HydrophobicContact CB-CE2 3.76Å; C752-F754 HydrophobicContact CB-CZ 3.89Å
753N75Confident78Confident3 Ų343.9 Ų43.92%0.01620%0.203CC..  trans55.650.4-179-57.4-73.1000112.2R556 M694 Y707 D750 F755 T756R556-N753 PolarHBondContact NH1-O 3.44Å; M694-N753 HydrophobicContact CE-CB 3.63Å; Y707-N753 WeakPolarHBondContact CE2-OD1 3.33Å; D750-N753 PolarHBondContact OD1-N 2.89Å; N753-F755 PolarHBondContact O-N 3.26Å; N753-F755 VanDerWaalsContact O-N 3.11Å; N753-T756 HydrophobicContact CB-CG2 4.5Å; N753-T756 PolarHBondContact O-N 3.39Å; N753-T756 VanDerWaalsContact O-N 3.11Å; N753-T756 PolarHBondContact O-OG1 3.41Å
754F66.1Low77Confident1 Ų144.1 Ų44.10%0.00421%0.205CC..G310 helixtrans-54.7-26.4176.5-72.1-67.7000112.5R556 L558 L559 M562 L746 D750 C752 T756 F757R556-F754 HydrophobicContact CB-CD1 4.35Å; R556-F754 HydrophobicContact CB-CE1 3.71Å; R556-F754 HydrophobicContact CG-CD1 4.16Å; R556-F754 HydrophobicContact CG-CE1 3.55Å; R556-F754 HydrophobicContact CG-CZ 4.13Å; L558-F754 HydrophobicContact CB-CD1 4.24Å; L558-F754 HydrophobicContact CB-CE1 3.67Å; L558-F754 HydrophobicContact CB-CZ 3.98Å; L558-F754 HydrophobicContact CD1-CE2 4.32Å; L558-F754 HydrophobicContact CD1-CZ 4.05Å; L559-F754 HydrophobicContact CB-CD1 3.98Å; L559-F754 HydrophobicContact CB-CE1 4.35Å; M562-F754 HydrophobicContact CE-CB 3.91Å; M562-F754 HydrophobicContact CE-CD1 4.46Å; L746-F754 HydrophobicContact CD2-CB 4.07Å; L746-F754 HydrophobicContact CD2-CD2 3.42Å; L746-F754 VanDerWaalsContact CD2-CD2 3.42Å; L746-F754 HydrophobicContact CD2-CE2 4.01Å; L746-F754 HydrophobicContact CD2-CG 3.78Å; D750-F754 HydrophobicContact CB-CD2 4.35Å; D750-F754 WeakPolarHBondContact OD1-CD2 3.48Å; D750-F754 VanDerWaalsContact OD2-CB 3.29Å; D750-F754 WeakPolarHBondContact OD2-CB 3.35Å; D750-F754 WeakPolarHBondContact OD2-CD2 3.4Å; D750-F754 PolarHBondContact OD2-N 3.48Å; C752-F754 HydrophobicContact CB-CD2 4.19Å; C752-F754 HydrophobicContact CB-CE1 4.46Å; C752-F754 HydrophobicContact CB-CE2 3.76Å; C752-F754 HydrophobicContact CB-CZ 3.89Å; F754-T756 PolarHBondContact O-N 2.88Å; F754-T756 VanDerWaalsContact O-N 3.09Å; F754-F757 VanDerWaalsContact O-CB 3.27Å; F754-F757 WeakPolarHBondContact O-CB 3.36Å; F754-F757 PolarHBondContact O-N 2.89Å
755F62.7Low76.1Confident10 Ų1050.5 Ų50.54%0.04422%0.224CC..G310 helixtrans-67.6-5.7177.7-58.1-77.8000115.6Y707 A709 Y712 I713 L719 L746 D750 N753 F757Y707-F755 HydrophobicContact CE2-CD2 4.42Å; Y707-F755 WeakPolarHBondContact OH-CD2 3.35Å; A709-F755 HydrophobicContact CB-CD2 4.02Å; A709-F755 HydrophobicContact CB-CE2 3.29Å; A709-F755 HydrophobicContact CB-CZ 3.72Å; Y712-F755 VanDerWaalsContact CB-CG 3.48Å; Y712-F755 HydrophobicContact CD1-CB 3.68Å; Y712-F755 HydrophobicContact CD2-CB 3.83Å; Y712-F755 HydrophobicContact CD2-CD2 4.48Å; Y712-F755 HydrophobicContact CD2-CG 4.02Å; Y712-F755 HydrophobicContact CE1-CB 4.28Å; Y712-F755 HydrophobicContact CE2-CB 4.43Å; Y712-F755 HydrophobicContact CG-CB 3.42Å; Y712-F755 VanDerWaalsContact CG-CB 3.42Å; Y712-F755 HydrophobicContact CG-CD1 4.17Å; Y712-F755 AromaticContact CG-CG 3.8Å; Y712-F755 HydrophobicContact CG-CG 3.8Å; I713-F755 HydrophobicContact CD1-CE1 3.98Å; I713-F755 HydrophobicContact CD1-CZ 3.95Å; I713-F755 HydrophobicContact CG1-CD1 4.27Å; I713-F755 HydrophobicContact CG1-CE1 3.36Å; I713-F755 HydrophobicContact CG1-CZ 3.85Å; L719-F755 HydrophobicContact CD2-CD1 3.33Å; L719-F755 HydrophobicContact CD2-CE1 3.58Å; L719-F755 HydrophobicContact CD2-CG 4.49Å; L719-F755 HydrophobicContact CG-CD1 4.42Å; L719-F755 HydrophobicContact CG-CE1 4.22Å; L746-F755 WeakPolarHBondContact O-CE2 3.19Å; L746-F755 VanDerWaalsContact O-CZ 3.27Å; L746-F755 WeakPolarHBondContact O-CZ 3.4Å; D750-F755 HydrophobicContact CB-CE2 4.36Å; D750-F755 WeakPolarHBondContact OD2-CD2 3.34Å; D750-F755 WeakPolarHBondContact OD2-CE2 3.27Å; N753-F755 PolarHBondContact O-N 3.26Å; N753-F755 VanDerWaalsContact O-N 3.11Å; F755-F757 PolarHBondContact O-N 2.85Å
756T61.9Low75.1Confident11 Ų1155.2 Ų55.27%0.06724%0.24CC..G310 helixtrans-61.5-4157.454.70000113.4R556 M694 N753 F754 Q758 H759 C760R556-T756 PolarHBondContact NH1-OG1 2.78Å; M694-T756 HydrophobicContact CB-CG2 4.48Å; M694-T756 HydrophobicContact CE-CG2 3.57Å; M694-T756 HydrophobicContact CG-CG2 3.84Å; M694-T756 HydrophobicContact SD-CG2 4.27Å; N753-T756 HydrophobicContact CB-CG2 4.5Å; N753-T756 PolarHBondContact O-N 3.39Å; N753-T756 VanDerWaalsContact O-N 3.11Å; N753-T756 PolarHBondContact O-OG1 3.41Å; F754-T756 PolarHBondContact O-N 2.88Å; F754-T756 VanDerWaalsContact O-N 3.09Å; T756-Q758 PolarHBondContact O-N 3.29Å; T756-Q758 VanDerWaalsContact O-N 3.12Å; T756-H759 WeakPolarHBondContact O-CA 3.43Å; T756-H759 WeakPolarHBondContact O-CB 3.43Å; T756-H759 PolarHBondContact O-N 2.91Å; T756-C760 PolarHBondContact O-N 3.48Å; T756-C760 VanDerWaalsContact O-N 3.11Å
757F70.6Confident74.3Confident1 Ų155.2 Ų55.20%0.00424%0.24CC..Hα-helixtrans-31.7-47.2161.9177.2-104.9000114.8L559 M562 T566 L719 I722 F754 F755 H759 C760 L761L559-F757 HydrophobicContact CD1-CB 4.06Å; L559-F757 HydrophobicContact CD1-CD2 4.34Å; M562-F757 HydrophobicContact CB-CD2 4.07Å; M562-F757 HydrophobicContact CB-CE2 3.86Å; M562-F757 HydrophobicContact CE-CD2 4.18Å; T566-F757 HydrophobicContact CG2-CZ 4.44Å; T566-F757 WeakPolarHBondContact OG1-CE2 3.3Å; T566-F757 VanDerWaalsContact OG1-CZ 3.24Å; T566-F757 WeakPolarHBondContact OG1-CZ 3.44Å; L719-F757 HydrophobicContact CB-CD1 4.02Å; L719-F757 HydrophobicContact CB-CE1 3.78Å; L719-F757 HydrophobicContact CD1-CD1 3.96Å; L719-F757 HydrophobicContact CD1-CD2 4.34Å; L719-F757 HydrophobicContact CD1-CE1 4.01Å; L719-F757 HydrophobicContact CD1-CE2 4.4Å; L719-F757 HydrophobicContact CD1-CG 4.11Å; L719-F757 HydrophobicContact CD1-CZ 4.22Å; L719-F757 HydrophobicContact CD2-CB 4.25Å; L719-F757 HydrophobicContact CD2-CD1 3.76Å; L719-F757 HydrophobicContact CD2-CE1 4.35Å; L719-F757 HydrophobicContact CD2-CG 4.18Å; L719-F757 HydrophobicContact CG-CD1 4.15Å; L719-F757 HydrophobicContact CG-CE1 4.27Å; I722-F757 HydrophobicContact CD1-CE2 4Å; I722-F757 HydrophobicContact CD1-CZ 3.58Å; F754-F757 VanDerWaalsContact O-CB 3.27Å; F754-F757 WeakPolarHBondContact O-CB 3.36Å; F754-F757 PolarHBondContact O-N 2.89Å; F755-F757 PolarHBondContact O-N 2.85Å; F757-H759 VanDerWaalsContact C-N 3.31Å; F757-H759 PolarHBondContact O-N 3.14Å; F757-C760 CarbonylContact O-C 3.59Å; F757-C760 WeakPolarHBondContact O-CA 3.48Å; F757-C760 VanDerWaalsContact O-CB 3.25Å; F757-C760 WeakPolarHBondContact O-CB 3.31Å; F757-C760 PolarHBondContact O-N 3.16Å; F757-C760 VanDerWaalsContact O-N 3.07Å; F757-L761 HydrophobicContact CD1-CD1 4.1Å; F757-L761 HydrophobicContact CD1-CG 4.33Å; F757-L761 HydrophobicContact CD2-CG 4.5Å; F757-L761 HydrophobicContact CE1-CD1 3.49Å; F757-L761 VanDerWaalsContact CE1-CD1 3.49Å; F757-L761 HydrophobicContact CE1-CG 4.04Å; F757-L761 HydrophobicContact CE2-CD1 4.37Å; F757-L761 HydrophobicContact CE2-CD2 4.04Å; F757-L761 HydrophobicContact CE2-CG 4.2Å; F757-L761 HydrophobicContact CZ-CD1 3.66Å; F757-L761 HydrophobicContact CZ-CD2 4.05Å; F757-L761 HydrophobicContact CZ-CG 3.98Å; F757-L761 WeakPolarHBondContact O-CG 3.5Å; F757-L761 PolarHBondContact O-N 3.5Å
758Q67.7Low73.2Confident98 Ų9856.9 Ų56.946%0.45825%0.245SC..Hα-helixtrans-65.6-34.5-179.1-165.765.83.500112.7N716 T756 F762N716-Q758 PolarHBondContact ND2-OE1 3.44Å; T756-Q758 PolarHBondContact O-N 3.29Å; T756-Q758 VanDerWaalsContact O-N 3.12Å; Q758-F762 PolarHBondContact O-N 3.42Å; Q758-F762 VanDerWaalsContact O-N 3.09Å
759H72.5Confident72.1Confident96 Ų9655.6 Ų55.644%0.44424%0.243SC..Hα-helixtrans-71.1-35.1174-60.5-171.6000110.4F692 G693 T756 F757 F762 A763F692-H759 HydrophobicContact CB-CB 4.35Å; F692-H759 HydrophobicContact CD2-CB 4.09Å; G693-H759 PolarHBondContact O-ND1 3.39Å; T756-H759 WeakPolarHBondContact O-CA 3.43Å; T756-H759 WeakPolarHBondContact O-CB 3.43Å; T756-H759 PolarHBondContact O-N 2.91Å; F757-H759 VanDerWaalsContact C-N 3.31Å; F757-H759 PolarHBondContact O-N 3.14Å; H759-F762 PolarHBondContact O-N 2.86Å; H759-A763 PolarHBondContact O-N 2.86Å
760C71.4Confident71Confident0 Ų051.4 Ų51.40%022%0.224CC..Hα-helixtrans-61.5-51.4172.6-164.30000111L559 F692 T756 F757 F762 A763 M764L559-C760 HydrophobicContact CD1-CB 4.37Å; F692-C760 VanDerWaalsContact CD2-CA 3.47Å; F692-C760 HydrophobicContact CD2-CB 3.85Å; F692-C760 HydrophobicContact CE2-CB 3.44Å; F692-C760 VanDerWaalsContact CE2-CB 3.44Å; F692-C760 HydrophobicContact CZ-CB 3.93Å; T756-C760 PolarHBondContact O-N 3.48Å; T756-C760 VanDerWaalsContact O-N 3.11Å; F757-C760 CarbonylContact O-C 3.59Å; F757-C760 WeakPolarHBondContact O-CA 3.48Å; F757-C760 VanDerWaalsContact O-CB 3.25Å; F757-C760 WeakPolarHBondContact O-CB 3.31Å; F757-C760 PolarHBondContact O-N 3.16Å; F757-C760 VanDerWaalsContact O-N 3.07Å; C760-F762 VanDerWaalsContact C-N 3.26Å; C760-F762 PolarHBondContact O-N 2.92Å; C760-A763 PolarHBondContact O-N 3.31Å; C760-M764 WeakPolarHBondContact O-CB 3.38Å; C760-M764 WeakPolarHBondContact O-CG 3.37Å; C760-M764 PolarHBondContact O-N 3.41Å
761L73.7Confident69.9Low12 Ų1252.1 Ų52.16%0.06323%0.227CC..Hα-helixtrans-56.7-38.3176.4-67.5-169.6000112.5T566 F757 R765T566-L761 HydrophobicContact CG2-CD1 4.28Å; T566-L761 HydrophobicContact CG2-CD2 4.02Å; F757-L761 HydrophobicContact CD1-CD1 4.1Å; F757-L761 HydrophobicContact CD1-CG 4.33Å; F757-L761 HydrophobicContact CD2-CG 4.5Å; F757-L761 HydrophobicContact CE1-CD1 3.49Å; F757-L761 VanDerWaalsContact CE1-CD1 3.49Å; F757-L761 HydrophobicContact CE1-CG 4.04Å; F757-L761 HydrophobicContact CE2-CD1 4.37Å; F757-L761 HydrophobicContact CE2-CD2 4.04Å; F757-L761 HydrophobicContact CE2-CG 4.2Å; F757-L761 HydrophobicContact CZ-CD1 3.66Å; F757-L761 HydrophobicContact CZ-CD2 4.05Å; F757-L761 HydrophobicContact CZ-CG 3.98Å; F757-L761 WeakPolarHBondContact O-CG 3.5Å; F757-L761 PolarHBondContact O-N 3.5Å; L761-R765 WeakPolarHBondContact O-CB 3.35Å; L761-R765 PolarHBondContact O-N 3.42Å
762F72.8Confident68.9Low150 Ų15047.1 Ų47.166%0.65821%0.211SC*.Hα-helixtrans-65.9-47.3176.7-176.4-98.3000112.4Q758 H759 C760 R765 R766Q758-F762 PolarHBondContact O-N 3.42Å; Q758-F762 VanDerWaalsContact O-N 3.09Å; H759-F762 PolarHBondContact O-N 2.86Å; C760-F762 VanDerWaalsContact C-N 3.26Å; C760-F762 PolarHBondContact O-N 2.92Å; F762-R765 WeakPolarHBondContact O-CB 3.45Å; F762-R765 PolarHBondContact O-N 3.4Å; F762-R766 PolarHBondContact O-N 3.19Å
763A68.8Low67.3Low6 Ų650 Ų505%0.0523%0.228CC..Hα-helixtrans-65-42.4176.600000112.4I670 F692 H759 C760 R765 R766 L767I670-A763 HydrophobicContact CD1-CB 4.21Å; F692-A763 HydrophobicContact CB-CB 3.73Å; F692-A763 HydrophobicContact CD1-CB 4.26Å; F692-A763 HydrophobicContact CG-CB 4.19Å; H759-A763 PolarHBondContact O-N 2.86Å; C760-A763 PolarHBondContact O-N 3.31Å; A763-R765 PolarHBondContact O-N 3Å; A763-R766 PolarHBondContact O-N 2.75Å; A763-L767 WeakPolarHBondContact O-CB 3.46Å; A763-L767 PolarHBondContact O-N 3.21Å
764M73.6Confident66Low6 Ų651.3 Ų51.33%0.0324%0.238CC..Hα-helixtrans-57.8-35.7172.6-65.8-81.8-165.200111.9H563 R582 Q645 I670 C760 R768H563-M764 HydrophobicContact CB-CE 4.23Å; H563-M764 PolarHBondContact CE1-SD 2.8Å; H563-M764 VanDerWaalsContact ND1-CE 3.35Å; H563-M764 WeakPolarHBondContact ND1-CE 3.4Å; R582-M764 PolarHBondContact NH1-SD 3.14Å; Q645-M764 VanDerWaalsContact NE2-CE 3.34Å; I670-M764 HydrophobicContact CD1-CE 4.05Å; I670-M764 HydrophobicContact CD1-CG 3.97Å; I670-M764 HydrophobicContact CD1-SD 3.72Å; C760-M764 WeakPolarHBondContact O-CB 3.38Å; C760-M764 WeakPolarHBondContact O-CG 3.37Å; C760-M764 PolarHBondContact O-N 3.41Å; M764-R768 WeakPolarHBondContact O-CB 3.44Å; M764-R768 PolarHBondContact O-N 2.93Å
765R73Confident65.2Low194 Ų19456.7 Ų56.773%0.73226%0.258SS*.Hα-helixtrans-70.1-44.3175.5-170.1174.8-175.9159.70.5112.2L761 F762 A763 L767 R768 S769L761-R765 WeakPolarHBondContact O-CB 3.35Å; L761-R765 PolarHBondContact O-N 3.42Å; F762-R765 WeakPolarHBondContact O-CB 3.45Å; F762-R765 PolarHBondContact O-N 3.4Å; A763-R765 PolarHBondContact O-N 3Å; R765-L767 VanDerWaalsContact C-N 3.31Å; R765-L767 PolarHBondContact O-N 3.3Å; R765-R768 PolarHBondContact O-N 3.15Å; R765-S769 PolarHBondContact O-N 3.4Å; R765-S769 PolarHBondContact O-OG 2.88Å
766R71.3Confident63.9Low121 Ų12158 Ų5846%0.45727%0.274SS..Hα-helixtrans-60.9-38.5173.7176176.4166.4164.4-5.3112F690 F762 A763 S769 L770F690-R766 HydrophobicContact CE1-CG 4.37Å; F762-R766 PolarHBondContact O-N 3.19Å; A763-R766 PolarHBondContact O-N 2.75Å; R766-S769 WeakPolarHBondContact CA-OG 3.32Å; R766-S769 PolarHBondContact O-OG 2.58Å; R766-L770 PolarHBondContact O-N 3Å
767L72.9Confident62.6Low0 Ų061 Ų610%030%0.295CS..Hα-helixtrans-67.8-46.8175.1-164.6161.2000111.1M543 L643 I670 F690 A763 R765 S769 L770 H771 W785M543-L767 HydrophobicContact CE-CD2 3.4Å; M543-L767 HydrophobicContact SD-CD2 3.71Å; L643-L767 HydrophobicContact CD1-CD1 3.54Å; L643-L767 HydrophobicContact CD2-CD1 3.53Å; L643-L767 HydrophobicContact CD2-CD2 4.17Å; L643-L767 HydrophobicContact CG-CD1 4.18Å; I670-L767 HydrophobicContact CD1-CD1 4.45Å; F690-L767 HydrophobicContact CB-CD1 4.42Å; F690-L767 HydrophobicContact CD1-CB 3.97Å; F690-L767 HydrophobicContact CD1-CD1 4.25Å; F690-L767 HydrophobicContact CD1-CG 4.26Å; F690-L767 HydrophobicContact CD2-CD1 3.6Å; F690-L767 HydrophobicContact CD2-CG 4.08Å; F690-L767 HydrophobicContact CE1-CB 3.78Å; F690-L767 HydrophobicContact CE1-CD1 4.42Å; F690-L767 HydrophobicContact CE1-CG 3.99Å; F690-L767 HydrophobicContact CE2-CB 4.48Å; F690-L767 HydrophobicContact CE2-CD1 3.79Å; F690-L767 HydrophobicContact CE2-CG 3.78Å; F690-L767 HydrophobicContact CG-CB 4.4Å; F690-L767 HydrophobicContact CG-CD1 3.84Å; F690-L767 HydrophobicContact CG-CG 4.3Å; F690-L767 HydrophobicContact CZ-CB 4.05Å; F690-L767 HydrophobicContact CZ-CD1 4.2Å; F690-L767 HydrophobicContact CZ-CG 3.73Å; A763-L767 WeakPolarHBondContact O-CB 3.46Å; A763-L767 PolarHBondContact O-N 3.21Å; R765-L767 VanDerWaalsContact C-N 3.31Å; R765-L767 PolarHBondContact O-N 3.3Å; L767-S769 VanDerWaalsContact C-N 3.31Å; L767-S769 PolarHBondContact O-N 3.03Å; L767-L770 PolarHBondContact O-N 2.97Å; L767-H771 PolarHBondContact O-N 3.13Å; L767-W785 HydrophobicContact CD2-CH2 4.03Å; L767-W785 HydrophobicContact CD2-CZ3 3.83Å; L767-W785 HydrophobicContact CG-CZ3 4.23Å
768R68.5Low61Low73 Ų7370.2 Ų70.228%0.27534%0.338SS..Hα-helixtrans-60.2-35.4175.5179.6174.7168.6-165.7-7.3112.7P578 V580 M764 R765 K772P578-R768 PolarHBondContact O-NH2 3.36Å; V580-R768 HydrophobicContact CB-CG 4.4Å; V580-R768 HydrophobicContact CG2-CG 3.93Å; M764-R768 WeakPolarHBondContact O-CB 3.44Å; M764-R768 PolarHBondContact O-N 2.93Å; R765-R768 PolarHBondContact O-N 3.15Å; R768-K772 WeakPolarHBondContact O-CB 3.39Å; R768-K772 WeakPolarHBondContact O-CG 3.35Å; R768-K772 PolarHBondContact O-N 2.93Å
769S65Low59.5Low66 Ų6673.8 Ų73.846%0.46236%0.355SS..Hα-helixtrans-65.8-43.7175.244.10000112.2R765 R766 L767 K772 V773R765-S769 PolarHBondContact O-N 3.4Å; R765-S769 PolarHBondContact O-OG 2.88Å; R766-S769 WeakPolarHBondContact CA-OG 3.32Å; R766-S769 PolarHBondContact O-OG 2.58Å; L767-S769 VanDerWaalsContact C-N 3.31Å; L767-S769 PolarHBondContact O-N 3.03Å; S769-K772 PolarHBondContact O-N 2.89Å; S769-V773 PolarHBondContact O-N 3.42Å
770L63.8Low57.9Low23 Ų2375.5 Ų75.512%0.1237%0.368CS..Hα-helixtrans-63.7-51.5178.3-69.8164.9000111.4F690 R766 L767 K772 V773 S774 R784 M788F690-L770 HydrophobicContact CE1-CD1 3.7Å; F690-L770 HydrophobicContact CZ-CD1 3.68Å; R766-L770 PolarHBondContact O-N 3Å; L767-L770 PolarHBondContact O-N 2.97Å; L770-K772 PolarHBondContact O-N 2.91Å; L770-V773 PolarHBondContact O-N 3.03Å; L770-V773 VanDerWaalsContact O-N 3.09Å; L770-S774 PolarHBondContact O-N 2.8Å; L770-S774 PolarHBondContact O-OG 2.97Å; L770-R784 HydrophobicContact CD2-CG 4.41Å; L770-M788 HydrophobicContact CD1-SD 4.38Å
771H60.1Low56.8Low22 Ų2277.4 Ų77.410%0.10238%0.378CS..Hα-helixtrans-65.6-22.5-179.8-163.497.1000113.7M543 V580 L767 R775 W785M543-H771 HydrophobicContact CE-CB 3.53Å; M543-H771 WeakPolarHBondContact CE-ND1 3.46Å; V580-H771 VanDerWaalsContact CG1-CD2 3.44Å; V580-H771 WeakPolarHBondContact CG1-CD2 3.45Å; L767-H771 PolarHBondContact O-N 3.13Å; H771-R775 VanDerWaalsContact NE2-CD 3.29Å; H771-R775 WeakPolarHBondContact NE2-CD 3.49Å; H771-R775 PolarHBondContact NE2-NH1 2.71Å; H771-W785 HydrophobicContact CB-CE3 4.23Å; H771-W785 HydrophobicContact CB-CZ3 4.16Å; H771-W785 AromaticContact ND1-CD2 3.96Å; H771-W785 AromaticContact ND1-CE3 3.74Å; H771-W785 AromaticContact ND1-CZ3 3.78Å
772K56Low55.8Low87 Ų8778.9 Ų78.938%0.37839%0.388SS..Hα-helixtrans-66.4-46.3170.4-92.5-158.2170.7-164.10111.9P578 V580 R768 S769 L770 S774 R775 G776P578-K772 WeakPolarHBondContact O-CE 3.36Å; P578-K772 PolarHBondContact O-NZ 2.85Å; V580-K772 HydrophobicContact CG2-CG 3.52Å; R768-K772 WeakPolarHBondContact O-CB 3.39Å; R768-K772 WeakPolarHBondContact O-CG 3.35Å; R768-K772 PolarHBondContact O-N 2.93Å; S769-K772 PolarHBondContact O-N 2.89Å; L770-K772 PolarHBondContact O-N 2.91Å; K772-S774 VanDerWaalsContact C-N 3.34Å; K772-R775 PolarHBondContact O-N 3.23Å; K772-G776 PolarHBondContact O-N 3.37Å
773V44.7Very low55.6Low71 Ų7173.5 Ų73.543%0.4337%0.368SS..Hα-helixtrans-66.6-39.3-178.5-168.20000110.2S769 L770 R775 G776 D781S769-V773 PolarHBondContact O-N 3.42Å; L770-V773 PolarHBondContact O-N 3.03Å; L770-V773 VanDerWaalsContact O-N 3.09Å; V773-R775 PolarHBondContact O-N 2.8Å; V773-G776 PolarHBondContact O-N 3.3Å; V773-D781 HydrophobicContact CB-CB 4.38Å; V773-D781 HydrophobicContact CG1-CB 3.6Å
774S48.2Very low56.4Low30 Ų3078.4 Ų78.421%0.2139%0.385CS..THydrogen-bonded Turntrans-66.51.3175.9-51.80000115.6L770 K772 D781L770-S774 PolarHBondContact O-N 2.8Å; L770-S774 PolarHBondContact O-OG 2.97Å; K772-S774 VanDerWaalsContact C-N 3.34Å; S774-D781 WeakPolarHBondContact CA-O 3.23Å; S774-D781 PolarHBondContact OG-O 2.92Å
775R49.2Very low57.1Low114 Ų11479 Ų7943%0.4339%0.388SS..THydrogen-bonded Turntrans-120-4.5171.7-6317580.8135.311.7113.6S541 H771 K772 V773S541-R775 PolarHBondContact O-NH1 3.16Å; S541-R775 PolarHBondContact O-NH2 3.49Å; H771-R775 VanDerWaalsContact NE2-CD 3.29Å; H771-R775 WeakPolarHBondContact NE2-CD 3.49Å; H771-R775 PolarHBondContact NE2-NH1 2.71Å; K772-R775 PolarHBondContact O-N 3.23Å; V773-R775 PolarHBondContact O-N 2.8Å
776G36.5Very low57.9Low37 Ų3770.9 Ų70.938%0.38136%0.358SS..SBendtrans-117.4114.3-17600000111.2K772 V773K772-G776 PolarHBondContact O-N 3.37Å; V773-G776 PolarHBondContact O-N 3.3Å
777S33.7Very low58.9Low74 Ų7469.2 Ų69.252%0.51735%0.352SS..  trans68.9126.6-17078.50000114.7Q779S777-Q779 PolarHBondContact O-N 2.7Å; S777-Q779 VanDerWaalsContact O-N 3.08Å
778E37.5Very low59.9Low194 Ų19469.5 Ų69.591%0.90735%0.353SS*.THydrogen-bonded Turntrans-768.6-175.7-60.8176.2120.900113.7
779Q37Very low61Low173 Ų17366.3 Ų66.381%0.80834%0.342SS*.THydrogen-bonded Turntrans-127.3-17.9-164.4-71.5177.2-1600115.9S777S777-Q779 PolarHBondContact O-N 2.7Å; S777-Q779 VanDerWaalsContact O-N 3.08Å
780N37.5Very low62.4Low133 Ų13363.2 Ų63.271%0.71132%0.321SS*.THydrogen-bonded Turntrans-124-30.5-165.2-76-45.2000119.3
781D49.2Very low63.9Low39 Ų3965.7 Ų65.721%0.20933%0.329CS..SBendtrans-149.637165.7-150.48.4000118.9V773 S774 P783 R784V773-D781 HydrophobicContact CB-CB 4.38Å; V773-D781 HydrophobicContact CG1-CB 3.6Å; S774-D781 WeakPolarHBondContact CA-O 3.23Å; S774-D781 PolarHBondContact OG-O 2.92Å; D781-P783 VanDerWaalsContact C-N 3.31Å; D781-R784 WeakPolarHBondContact OD1-CB 3.16Å; D781-R784 PolarHBondContact OD1-N 3.01Å; D781-R784 WeakPolarHBondContact OD2-CB 3.49Å
782P52.3Low65.5Low43 Ų4364.6 Ų64.628%0.27932%0.324SS..Hα-helixtrans-60.3-30.4156.215.4-17.2000114.4R784P782-R784 PolarHBondContact O-N 3.29Å
783P68.8Low67.1Low38 Ų3861.7 Ų61.725%0.24731%0.312CS..Hα-helixtrans-55.8-39.3177.2-31.737.4000115.8L512 D781 W785 L786 R787L512-P783 HydrophobicContact CD1-CB 4.21Å; D781-P783 VanDerWaalsContact C-N 3.31Å; P783-W785 PolarHBondContact O-N 3.45Å; P783-L786 PolarHBondContact O-N 2.99Å; P783-R787 VanDerWaalsContact O-CB 3.3Å; P783-R787 WeakPolarHBondContact O-CB 3.41Å; P783-R787 VanDerWaalsContact O-CG 3.24Å; P783-R787 WeakPolarHBondContact O-CG 3.38Å; P783-R787 PolarHBondContact O-N 3.42Å
784R85.7Confident69.5Low108 Ų10858.4 Ų58.441%0.40829%0.292SS..Hα-helixtrans-64.1-43.3-168.5-177.3164.7-174170.69.4115.2L770 D781 P782 R787 M788L770-R784 HydrophobicContact CD2-CG 4.41Å; D781-R784 WeakPolarHBondContact OD1-CB 3.16Å; D781-R784 PolarHBondContact OD1-N 3.01Å; D781-R784 WeakPolarHBondContact OD2-CB 3.49Å; P782-R784 PolarHBondContact O-N 3.29Å; R784-R787 PolarHBondContact O-N 3.35Å; R784-M788 HydrophobicContact CG-SD 4.22Å; R784-M788 VanDerWaalsContact O-CG 3.28Å; R784-M788 WeakPolarHBondContact O-CG 3.16Å; R784-M788 PolarHBondContact O-N 2.7Å
785W87.9Confident71.7Confident20 Ų2057.2 Ų57.28%0.07628%0.284CS..Hα-helixtrans-64-43.5176.8-176.3-80.8000111.2M543 D642 L668 L767 H771 P783 M788 S789M543-W785 HydrophobicContact CE-CH2 3.85Å; M543-W785 HydrophobicContact CE-CZ3 4.03Å; D642-W785 HydrophobicContact CB-CZ2 4.01Å; D642-W785 WeakPolarHBondContact O-CZ2 3.26Å; L668-W785 HydrophobicContact CB-CH2 4.47Å; L668-W785 HydrophobicContact CB-CZ2 4.4Å; L668-W785 HydrophobicContact CD1-CD2 3.7Å; L668-W785 HydrophobicContact CD1-CE3 3.73Å; L668-W785 HydrophobicContact CD1-CG 4.41Å; L668-W785 HydrophobicContact CD1-CH2 3.74Å; L668-W785 HydrophobicContact CD1-CZ2 3.69Å; L668-W785 HydrophobicContact CD1-CZ3 3.76Å; L668-W785 HydrophobicContact CG-CH2 4.3Å; L668-W785 HydrophobicContact CG-CZ2 3.94Å; L767-W785 HydrophobicContact CD2-CH2 4.03Å; L767-W785 HydrophobicContact CD2-CZ3 3.83Å; L767-W785 HydrophobicContact CG-CZ3 4.23Å; H771-W785 HydrophobicContact CB-CE3 4.23Å; H771-W785 HydrophobicContact CB-CZ3 4.16Å; H771-W785 AromaticContact ND1-CD2 3.96Å; H771-W785 AromaticContact ND1-CE3 3.74Å; H771-W785 AromaticContact ND1-CZ3 3.78Å; P783-W785 PolarHBondContact O-N 3.45Å; W785-M788 PolarHBondContact O-N 3.38Å; W785-S789 WeakPolarHBondContact O-CB 3.5Å; W785-S789 PolarHBondContact O-N 3.48Å
786L89.7Confident73.7Confident23 Ų2351.9 Ų51.912%0.1226%0.264CS..Hα-helixtrans-68.3-34.5179.7-62.5169.3000112L512 R516 P783 S789 L790L512-L786 HydrophobicContact CB-CB 4.11Å; L512-L786 HydrophobicContact CB-CD1 4.19Å; L512-L786 HydrophobicContact CD1-CB 4.46Å; L512-L786 HydrophobicContact CD2-CB 4.01Å; L512-L786 HydrophobicContact CG-CB 4.42Å; R516-L786 HydrophobicContact CB-CD1 4.03Å; R516-L786 HydrophobicContact CB-CD2 3.79Å; R516-L786 HydrophobicContact CG-CD1 4.4Å; R516-L786 HydrophobicContact CG-CD2 4.2Å; P783-L786 PolarHBondContact O-N 2.99Å; L786-S789 WeakPolarHBondContact O-CB 3.35Å; L786-S789 PolarHBondContact O-N 3Å; L786-L790 WeakPolarHBondContact O-CB 3.35Å; L786-L790 PolarHBondContact O-N 3.5Å
787R92.3Very high76.3Confident86 Ų8650.7 Ų50.733%0.32525%0.252SS..Hα-helixtrans-63.3-50.2170.4-78.7171.2180-176.90.7111.7A506 D507 L512 P783 R784 S789 L790 Y791A506-R787 HydrophobicContact CB-CG 4.44Å; A506-R787 WeakPolarHBondContact O-CG 3.5Å; A506-R787 PolarHBondContact O-NE 3.01Å; D507-R787 IonicContact OD1-CZ 2.69Å; D507-R787 IonicContact OD1-NE 2.65Å; D507-R787 IonicContact OD1-NH1 2.78Å; D507-R787 IonicContact OD1-NH2 3.91Å; D507-R787 PolarHBondContact OD1-NH2 3.49Å; L512-R787 HydrophobicContact CD1-CG 4.13Å; L512-R787 HydrophobicContact CD2-CG 4.45Å; P783-R787 VanDerWaalsContact O-CB 3.3Å; P783-R787 WeakPolarHBondContact O-CB 3.41Å; P783-R787 VanDerWaalsContact O-CG 3.24Å; P783-R787 WeakPolarHBondContact O-CG 3.38Å; P783-R787 PolarHBondContact O-N 3.42Å; R784-R787 PolarHBondContact O-N 3.35Å; R787-S789 PolarHBondContact O-N 2.81Å; R787-L790 PolarHBondContact O-N 3.05Å; R787-L790 VanDerWaalsContact O-N 3.16Å; R787-Y791 WeakPolarHBondContact O-CD2 3.39Å; R787-Y791 PolarHBondContact O-N 2.84Å
788M93.6Very high79Confident5 Ų548.5 Ų48.53%0.02523%0.233CC..Hα-helixtrans-57.6-41.3176.4-68.217373.400110.8L668 N688 F690 L770 R784 W785 Y791 N792L668-M788 HydrophobicContact CD1-CB 3.98Å; L668-M788 HydrophobicContact CD1-CE 4.13Å; L668-M788 HydrophobicContact CD1-SD 4.36Å; L668-M788 HydrophobicContact CD2-CB 3.73Å; N688-M788 WeakPolarHBondContact OD1-CG 3.14Å; F690-M788 HydrophobicContact CE1-CE 4.47Å; F690-M788 HydrophobicContact CE2-CE 3.72Å; F690-M788 HydrophobicContact CZ-CE 3.65Å; L770-M788 HydrophobicContact CD1-SD 4.38Å; R784-M788 HydrophobicContact CG-SD 4.22Å; R784-M788 VanDerWaalsContact O-CG 3.28Å; R784-M788 WeakPolarHBondContact O-CG 3.16Å; R784-M788 PolarHBondContact O-N 2.7Å; W785-M788 PolarHBondContact O-N 3.38Å; M788-Y791 PolarHBondContact O-N 3.26Å; M788-N792 PolarHBondContact O-N 2.96Å; M788-N792 PolarHBondContact O-ND2 2.91Å
789S92.2Very high81.6Confident6 Ų640.6 Ų40.64%0.04220%0.196CC..Hα-helixtrans-63.2-44.8176.3-179.40000111.7G666 W785 L786 R787 N792 I793G666-S789 WeakPolarHBondContact CA-OG 3.3Å; G666-S789 WeakPolarHBondContact O-CB 3.42Å; G666-S789 PolarHBondContact O-OG 3.3Å; W785-S789 WeakPolarHBondContact O-CB 3.5Å; W785-S789 PolarHBondContact O-N 3.48Å; L786-S789 WeakPolarHBondContact O-CB 3.35Å; L786-S789 PolarHBondContact O-N 3Å; R787-S789 PolarHBondContact O-N 2.81Å; S789-N792 WeakPolarHBondContact O-CB 3.29Å; S789-N792 PolarHBondContact O-N 3.47Å; S789-I793 WeakPolarHBondContact O-CG1 3.31Å; S789-I793 PolarHBondContact O-N 3.47Å
790L93.6Very high84.2Confident2 Ų233 Ų331%0.0116%0.162CC..Hα-helixtrans-65.4-39.8176-176.153.3000112.8L502 F511 L512 L515 L786 R787 N792 I793 A794L502-L790 HydrophobicContact CB-CD1 3.95Å; F511-L790 HydrophobicContact CD1-CD1 4.4Å; F511-L790 HydrophobicContact CD1-CD2 3.9Å; F511-L790 HydrophobicContact CE1-CD1 3.6Å; F511-L790 HydrophobicContact CE1-CD2 3.93Å; F511-L790 HydrophobicContact CE1-CG 4.43Å; F511-L790 HydrophobicContact CZ-CD1 4.36Å; L512-L790 HydrophobicContact CD2-CB 4.43Å; L512-L790 HydrophobicContact CD2-CD2 3.92Å; L515-L790 HydrophobicContact CD2-CB 4.06Å; L786-L790 WeakPolarHBondContact O-CB 3.35Å; L786-L790 PolarHBondContact O-N 3.5Å; R787-L790 PolarHBondContact O-N 3.05Å; R787-L790 VanDerWaalsContact O-N 3.16Å; L790-N792 VanDerWaalsContact C-N 3.34Å; L790-I793 PolarHBondContact O-N 2.83Å; L790-A794 WeakPolarHBondContact O-CB 3.22Å; L790-A794 PolarHBondContact O-N 3.4Å
791Y95.5Very high86.7Confident74 Ų7428.2 Ų28.229%0.2914%0.139SC..Hα-helixtrans-65.4-35.8173.4-81.5-69000112.2K503 A506 R787 M788 S795K503-Y791 HydrophobicContact CB-CE1 4.1Å; K503-Y791 HydrophobicContact CD-CD1 4.25Å; K503-Y791 HydrophobicContact CD-CE1 4.17Å; K503-Y791 HydrophobicContact CG-CD1 3.93Å; K503-Y791 HydrophobicContact CG-CE1 3.85Å; A506-Y791 HydrophobicContact CB-CE2 3.87Å; R787-Y791 WeakPolarHBondContact O-CD2 3.39Å; R787-Y791 PolarHBondContact O-N 2.84Å; M788-Y791 PolarHBondContact O-N 3.26Å; Y791-S795 VanDerWaalsContact O-CB 3.32Å; Y791-S795 WeakPolarHBondContact O-CB 3.25Å; Y791-S795 PolarHBondContact O-N 3.13Å
792N94Very high88.8Confident0 Ų027 Ų270%013%0.132CC..Hα-helixtrans-60.5-51171.6-87.2-110.8000110.9M663 M684 N688 M788 S789 L790 S796M663-N792 WeakPolarHBondContact CE-O 3.5Å; M663-N792 HydrophobicContact CG-CB 4.05Å; M663-N792 WeakPolarHBondContact CG-O 3.35Å; M684-N792 WeakPolarHBondContact CE-OD1 3.47Å; M684-N792 VanDerWaalsContact SD-CG 3.56Å; M684-N792 PolarHBondContact SD-ND2 3.23Å; M684-N792 VanDerWaalsContact SD-ND2 3.38Å; M684-N792 PolarHBondContact SD-OD1 3.05Å; M684-N792 VanDerWaalsContact SD-OD1 3.32Å; N688-N792 PolarHBondContact O-ND2 2.95Å; M788-N792 PolarHBondContact O-N 2.96Å; M788-N792 PolarHBondContact O-ND2 2.91Å; S789-N792 WeakPolarHBondContact O-CB 3.29Å; S789-N792 PolarHBondContact O-N 3.47Å; L790-N792 VanDerWaalsContact C-N 3.34Å; N792-S796 PolarHBondContact O-N 3.49Å
793I90.3Very high90.8Very high26 Ų2628.6 Ų28.613%0.13313%0.133CC..Hα-helixtrans-61.5-51.4178.1-62.8162.2000110.4L499 L502 L515 S789 L790 S795 S796L499-I793 HydrophobicContact CD1-CG2 4.44Å; L502-I793 HydrophobicContact CD1-CG2 4.15Å; L515-I793 HydrophobicContact CD1-CD1 3.69Å; L515-I793 HydrophobicContact CD2-CD1 4.39Å; S789-I793 WeakPolarHBondContact O-CG1 3.31Å; S789-I793 PolarHBondContact O-N 3.47Å; L790-I793 PolarHBondContact O-N 2.83Å; I793-S795 VanDerWaalsContact C-N 3.29Å; I793-S795 PolarHBondContact O-N 3.2Å; I793-S796 WeakPolarHBondContact O-CB 3.28Å; I793-S796 PolarHBondContact O-N 3.4Å; I793-S796 PolarHBondContact O-OG 2.76Å
794A94.2Very high91.8Very high1 Ų128.4 Ų28.41%0.00813%0.131CC..Hα-helixtrans-64.4-32.2-172.200000113L499 S500 L502 K503 L790 S796L499-A794 CarbonylContact C-O 3.59Å; L499-A794 VanDerWaalsContact O-CA 3.24Å; L499-A794 WeakPolarHBondContact O-CA 3.45Å; L499-A794 VanDerWaalsContact O-CB 3.32Å; L499-A794 WeakPolarHBondContact O-CB 3.39Å; S500-A794 WeakPolarHBondContact CA-O 3.48Å; S500-A794 PolarHBondContact N-O 3.48Å; L502-A794 HydrophobicContact CB-CB 3.93Å; K503-A794 HydrophobicContact CG-CB 3.65Å; L790-A794 WeakPolarHBondContact O-CB 3.22Å; L790-A794 PolarHBondContact O-N 3.4Å; A794-S796 VanDerWaalsContact C-N 3.34Å
795S95.5Very high92.3Very high5 Ų523.2 Ų23.24%0.03511%0.111CC..THydrogen-bonded Turntrans-87.46.3176.5-76.60000114.5K503 M663 E683 Y791 I793 G797K503-S795 WeakPolarHBondContact CE-OG 3.29Å; K503-S795 PolarHBondContact NZ-OG 3.1Å; M663-S795 VanDerWaalsContact CE-C 3.48Å; M663-S795 WeakPolarHBondContact CE-O 3.48Å; E683-S795 VanDerWaalsContact C-CB 3.47Å; E683-S795 WeakPolarHBondContact O-CB 3.41Å; E683-S795 PolarHBondContact O-OG 2.9Å; Y791-S795 VanDerWaalsContact O-CB 3.32Å; Y791-S795 WeakPolarHBondContact O-CB 3.25Å; Y791-S795 PolarHBondContact O-N 3.13Å; I793-S795 VanDerWaalsContact C-N 3.29Å; I793-S795 PolarHBondContact O-N 3.2Å; S795-G797 VanDerWaalsContact C-N 3.29Å; S795-G797 PolarHBondContact O-N 2.79Å
796S90.5Very high92.7Very high2 Ų225 Ų251%0.01412%0.12CC..G310 helixtrans-77.8-8.2-174.565.90000115L499 L664 N792 I793 A794 K798 F799L499-S796 VanDerWaalsContact CD1-OG 3.32Å; L499-S796 WeakPolarHBondContact CD1-OG 2.93Å; L664-S796 WeakPolarHBondContact CD1-OG 3.37Å; N792-S796 PolarHBondContact O-N 3.49Å; I793-S796 WeakPolarHBondContact O-CB 3.28Å; I793-S796 PolarHBondContact O-N 3.4Å; I793-S796 PolarHBondContact O-OG 2.76Å; A794-S796 VanDerWaalsContact C-N 3.34Å; S796-K798 VanDerWaalsContact C-N 3.33Å; S796-K798 PolarHBondContact O-N 3.5Å; S796-K798 VanDerWaalsContact O-N 3.16Å; S796-F799 WeakPolarHBondContact O-CB 3.32Å; S796-F799 WeakPolarHBondContact O-CD2 3.27Å; S796-F799 PolarHBondContact O-N 2.7Å
797G90.5Very high92.9Very high12 Ų1225.8 Ų25.812%0.12412%0.124CC..G310 helixtrans-54.3-36.4-17300000116.4L496 S795 F799 S800L496-G797 VanDerWaalsContact O-CA 3.26Å; L496-G797 WeakPolarHBondContact O-CA 3.38Å; S795-G797 VanDerWaalsContact C-N 3.29Å; S795-G797 PolarHBondContact O-N 2.79Å; G797-F799 PolarHBondContact O-N 3Å; G797-F799 VanDerWaalsContact O-N 3.12Å; G797-S800 PolarHBondContact O-N 2.85Å
798K92.3Very high93Very high29 Ų2922.3 Ų22.313%0.12611%0.111CC..G310 helixtrans-59.7-21.5176.9-179.5176.6176.8-174.50113.5E679 E682 E683 S796 R803E679-K798 VanDerWaalsContact OE2-CE 3.24Å; E679-K798 WeakPolarHBondContact OE2-CE 3.36Å; E679-K798 IonicContact OE2-NZ 3.22Å; E682-K798 IonicContact OE2-NZ 2.8Å; E682-K798 PolarHBondContact OE2-NZ 3.17Å; E683-K798 HydrophobicContact CG-CB 4.12Å; E683-K798 HydrophobicContact CG-CD 3.45Å; E683-K798 VanDerWaalsContact CG-CD 3.45Å; E683-K798 HydrophobicContact CG-CG 4.46Å; E683-K798 WeakPolarHBondContact OE1-CD 3.27Å; E683-K798 WeakPolarHBondContact OE1-CE 3.47Å; E683-K798 IonicContact OE1-NZ 3.25Å; E683-K798 PolarHBondContact OE1-NZ 2.83Å; S796-K798 VanDerWaalsContact C-N 3.33Å; S796-K798 PolarHBondContact O-N 3.5Å; S796-K798 VanDerWaalsContact O-N 3.16Å; K798-R803 PolarHBondContact O-NE 3.41Å; K798-R803 PolarHBondContact O-NH2 2.84Å
799F91.2Very high93.2Very high27 Ų2722.2 Ų22.212%0.11811%0.111CC..G310 helixtrans-98.88.1-173.5-50.1-66.1000114.1M660 M663 E679 M680 E683 S796 G797M660-F799 HydrophobicContact CB-CB 4.07Å; M660-F799 HydrophobicContact CB-CG 4.49Å; M660-F799 HydrophobicContact CE-CD1 3.94Å; M660-F799 HydrophobicContact CG-CB 3.9Å; M660-F799 HydrophobicContact CG-CD1 4.03Å; M660-F799 HydrophobicContact CG-CG 3.97Å; M660-F799 HydrophobicContact SD-CB 4.02Å; M660-F799 HydrophobicContact SD-CD1 4.17Å; M660-F799 HydrophobicContact SD-CG 4.4Å; M663-F799 HydrophobicContact CE-CD2 4.42Å; M663-F799 HydrophobicContact CE-CE2 3.98Å; M663-F799 HydrophobicContact SD-CD2 4.02Å; M663-F799 HydrophobicContact SD-CE2 3.81Å; E679-F799 HydrophobicContact CB-CE1 3.96Å; E679-F799 HydrophobicContact CB-CZ 4.12Å; M680-F799 HydrophobicContact CB-CZ 4.31Å; M680-F799 HydrophobicContact CG-CE1 4.18Å; M680-F799 HydrophobicContact CG-CE2 3.86Å; M680-F799 HydrophobicContact CG-CZ 3.68Å; E683-F799 HydrophobicContact CB-CE2 4.45Å; E683-F799 HydrophobicContact CG-CE2 4.14Å; E683-F799 HydrophobicContact CG-CZ 4.03Å; S796-F799 WeakPolarHBondContact O-CB 3.32Å; S796-F799 WeakPolarHBondContact O-CD2 3.27Å; S796-F799 PolarHBondContact O-N 2.7Å; G797-F799 PolarHBondContact O-N 3Å; G797-F799 VanDerWaalsContact O-N 3.12Å
800S91.2Very high93.4Very high15 Ų1528 Ų2811%0.10513%0.132CC..  trans-63.3136164.51710000110.5G797 D802 R803 T804G797-S800 PolarHBondContact O-N 2.85Å; S800-D802 PolarHBondContact O-N 2.64Å; S800-D802 WeakPolarHBondContact OG-CB 3.39Å; S800-D802 VanDerWaalsContact OG-CG 3.25Å; S800-D802 PolarHBondContact OG-N 2.93Å; S800-D802 PolarHBondContact OG-OD2 3.28Å; S800-R803 PolarHBondContact O-N 2.98Å; S800-T804 PolarHBondContact O-N 2.68Å
801S91.4Very high93.5Very high32 Ų3231.8 Ų31.822%0.22415%0.149CC..Hα-helixtrans-62.6-20.9169.341.50000112.8S144 R803 T804 I805S144-S801 VanDerWaalsContact OG-C 3.24Å; S144-S801 VanDerWaalsContact OG-CB 3.25Å; S144-S801 WeakPolarHBondContact OG-CB 3.19Å; S144-S801 PolarHBondContact OG-OG 3.36Å; S801-R803 VanDerWaalsContact C-N 3.35Å; S801-T804 WeakPolarHBondContact O-CB 3.39Å; S801-T804 PolarHBondContact O-N 3.22Å; S801-I805 WeakPolarHBondContact O-CB 3.44Å; S801-I805 WeakPolarHBondContact O-CG1 3.46Å; S801-I805 PolarHBondContact O-N 3.12Å
802D92.3Very high93.6Very high13 Ų1329.5 Ų29.57%0.0714%0.142CC..Hα-helixtrans-67.4-37.9175.6-49-45.1000111.4S144 L148 S800 K806S144-D802 WeakPolarHBondContact CA-OD1 3.42Å; S144-D802 WeakPolarHBondContact CB-OD1 3.35Å; S144-D802 PolarHBondContact OG-N 3.47Å; S144-D802 VanDerWaalsContact OG-N 3.17Å; S144-D802 PolarHBondContact OG-OD1 3.48Å; L148-D802 HydrophobicContact CD1-CB 4.04Å; L148-D802 WeakPolarHBondContact CD1-O 3.34Å; L148-D802 HydrophobicContact CD2-CB 4.44Å; L148-D802 HydrophobicContact CG-CB 4.45Å; S800-D802 PolarHBondContact O-N 2.64Å; S800-D802 WeakPolarHBondContact OG-CB 3.39Å; S800-D802 VanDerWaalsContact OG-CG 3.25Å; S800-D802 PolarHBondContact OG-N 2.93Å; S800-D802 PolarHBondContact OG-OD2 3.28Å; D802-K806 WeakPolarHBondContact O-CB 3.48Å; D802-K806 WeakPolarHBondContact O-CD 3.47Å; D802-K806 WeakPolarHBondContact O-CG 2.9Å; D802-K806 PolarHBondContact O-N 3.17Å
803R93.7Very high93.8Very high77 Ų7729.6 Ų29.629%0.29114%0.142SC..Hα-helixtrans-63.1-48.8173.8-171.2-77.8-63177.5-5109.1K798 S800 S801 I805 K806 D807K798-R803 PolarHBondContact O-NE 3.41Å; K798-R803 PolarHBondContact O-NH2 2.84Å; S800-R803 PolarHBondContact O-N 2.98Å; S801-R803 VanDerWaalsContact C-N 3.35Å; R803-I805 PolarHBondContact O-N 3.29Å; R803-K806 WeakPolarHBondContact O-CB 3.45Å; R803-K806 PolarHBondContact O-N 2.87Å; R803-D807 WeakPolarHBondContact CD-OD2 3.28Å; R803-D807 IonicContact CZ-OD2 3.12Å; R803-D807 IonicContact NE-OD2 3.11Å; R803-D807 IonicContact NH1-OD2 3.58Å; R803-D807 PolarHBondContact NH1-OD2 2.75Å; R803-D807 VanDerWaalsContact O-CG 3.29Å; R803-D807 PolarHBondContact O-N 3Å
804T90.8Very high94Very high33 Ų3334.3 Ų34.320%0.20217%0.168CC..Hα-helixtrans-57.6-48.6176.8-57.20000111.9F141 S800 S801 K806 D807 Y808F141-T804 HydrophobicContact CE1-CG2 3.72Å; F141-T804 HydrophobicContact CZ-CG2 3.58Å; S800-T804 PolarHBondContact O-N 2.68Å; S801-T804 WeakPolarHBondContact O-CB 3.39Å; S801-T804 PolarHBondContact O-N 3.22Å; T804-K806 PolarHBondContact O-N 3.41Å; T804-D807 WeakPolarHBondContact O-CB 3.28Å; T804-D807 PolarHBondContact O-N 2.83Å; T804-D807 VanDerWaalsContact O-N 3.12Å; T804-Y808 HydrophobicContact CG2-CD2 3.82Å; T804-Y808 HydrophobicContact CG2-CE2 3.6Å; T804-Y808 WeakPolarHBondContact O-CD2 3.48Å; T804-Y808 PolarHBondContact O-N 3.15Å
805I94.8Very high94.1Very high0 Ų034.7 Ų34.70%017%0.17CC..Hα-helixtrans-64.8-38.9178.3-69.6-58.9000111.8F141 M145 L148 V150 S801 R803 D807 Y808 C809 W813F141-I805 HydrophobicContact CB-CD1 3.95Å; F141-I805 HydrophobicContact CD1-CD1 4.06Å; F141-I805 HydrophobicContact CD1-CG1 4.35Å; F141-I805 HydrophobicContact CD2-CD1 4.01Å; F141-I805 HydrophobicContact CG-CD1 3.75Å; F141-I805 HydrophobicContact CG-CG1 4.45Å; M145-I805 HydrophobicContact CG-CD1 3.83Å; M145-I805 HydrophobicContact CG-CG1 4.12Å; M145-I805 HydrophobicContact CG-CG2 3.69Å; M145-I805 HydrophobicContact SD-CD1 4.32Å; L148-I805 HydrophobicContact CD1-CB 3.96Å; L148-I805 HydrophobicContact CD1-CG2 3.69Å; V150-I805 HydrophobicContact CG2-CG2 4.24Å; S801-I805 WeakPolarHBondContact O-CB 3.44Å; S801-I805 WeakPolarHBondContact O-CG1 3.46Å; S801-I805 PolarHBondContact O-N 3.12Å; R803-I805 PolarHBondContact O-N 3.29Å; I805-D807 VanDerWaalsContact C-N 3.26Å; I805-D807 PolarHBondContact O-N 2.84Å; I805-Y808 PolarHBondContact O-N 3.48Å; I805-C809 VanDerWaalsContact O-CB 3.22Å; I805-C809 WeakPolarHBondContact O-CB 3.44Å; I805-C809 PolarHBondContact O-N 2.72Å; I805-C809 PolarHBondContact O-SG 3.26Å; I805-W813 HydrophobicContact CD1-CH2 3.86Å; I805-W813 HydrophobicContact CD1-CZ3 4.1Å; I805-W813 HydrophobicContact CG2-CZ3 4.49Å
806K96.6Very high94Very high57 Ų5739.8 Ų39.825%0.24820%0.203CC..Hα-helixtrans-57.7-39.3171.1-73.8163.1-170.81700111.8L148 D802 R803 T804 R810 T817L148-K806 HydrophobicContact CD1-CG 3.93Å; L148-K806 HydrophobicContact CD2-CG 4.46Å; D802-K806 WeakPolarHBondContact O-CB 3.48Å; D802-K806 WeakPolarHBondContact O-CD 3.47Å; D802-K806 WeakPolarHBondContact O-CG 2.9Å; D802-K806 PolarHBondContact O-N 3.17Å; R803-K806 WeakPolarHBondContact O-CB 3.45Å; R803-K806 PolarHBondContact O-N 2.87Å; T804-K806 PolarHBondContact O-N 3.41Å; K806-R810 WeakPolarHBondContact O-CB 3.44Å; K806-R810 PolarHBondContact O-N 3.07Å; K806-R810 VanDerWaalsContact O-N 3.11Å; K806-T817 HydrophobicContact CG-CG2 4.2Å
807D94.5Very high94.2Very high39 Ų3942.3 Ų42.321%0.20922%0.218CC..Hα-helixtrans-68.2-48.7176.4-61.4-22.9000111.5R803 T804 I805 C809 R810 E811R803-D807 WeakPolarHBondContact CD-OD2 3.28Å; R803-D807 IonicContact CZ-OD2 3.12Å; R803-D807 IonicContact NE-OD2 3.11Å; R803-D807 IonicContact NH1-OD2 3.58Å; R803-D807 PolarHBondContact NH1-OD2 2.75Å; R803-D807 VanDerWaalsContact O-CG 3.29Å; R803-D807 PolarHBondContact O-N 3Å; T804-D807 WeakPolarHBondContact O-CB 3.28Å; T804-D807 PolarHBondContact O-N 2.83Å; T804-D807 VanDerWaalsContact O-N 3.12Å; I805-D807 VanDerWaalsContact C-N 3.26Å; I805-D807 PolarHBondContact O-N 2.84Å; D807-C809 VanDerWaalsContact C-N 3.35Å; D807-C809 PolarHBondContact O-N 2.71Å; D807-R810 PolarHBondContact O-N 3.49Å; D807-R810 IonicContact OD1-CZ 3.91Å; D807-R810 IonicContact OD1-NH1 2.84Å; D807-R810 PolarHBondContact OD1-NH1 3Å; D807-R810 IonicContact OD1-NH2 2.75Å; D807-R810 PolarHBondContact OD1-NH2 2.97Å; D807-E811 PolarHBondContact O-N 3.22Å
808Y95.3Very high94.3Very high14 Ų1444.2 Ų44.26%0.05523%0.227CC..Hα-helixtrans-56.8-45.3173.6-84.9-90.6000112.1F141 Q333 T372 N453 T804 I805 R810 I812 W813F141-Y808 AromaticContact CE2-CE2 3.86Å; F141-Y808 HydrophobicContact CE2-CE2 3.86Å; F141-Y808 AromaticContact CZ-CE2 3.89Å; F141-Y808 HydrophobicContact CZ-CE2 3.89Å; Q333-Y808 HydrophobicContact CG-CE1 4.49Å; T372-Y808 PolarHBondContact OG1-OH 2.88Å; T372-Y808 VanDerWaalsContact OG1-OH 3.1Å; N453-Y808 PolarHBondContact ND2-OH 2.73Å; T804-Y808 HydrophobicContact CG2-CD2 3.82Å; T804-Y808 HydrophobicContact CG2-CE2 3.6Å; T804-Y808 WeakPolarHBondContact O-CD2 3.48Å; T804-Y808 PolarHBondContact O-N 3.15Å; I805-Y808 PolarHBondContact O-N 3.48Å; Y808-R810 VanDerWaalsContact C-N 3.31Å; Y808-R810 PolarHBondContact O-N 3.39Å; Y808-I812 HydrophobicContact CD1-CD1 3.65Å; Y808-I812 HydrophobicContact CD1-CG1 4.47Å; Y808-I812 HydrophobicContact CE1-CD1 3.9Å; Y808-I812 HydrophobicContact CG-CD1 4.46Å; Y808-I812 WeakPolarHBondContact O-CA 3.45Å; Y808-I812 WeakPolarHBondContact O-CB 3.32Å; Y808-I812 PolarHBondContact O-N 3.36Å; Y808-W813 AromaticContact CD1-CE2 3.89Å; Y808-W813 HydrophobicContact CD1-CH2 4.15Å; Y808-W813 AromaticContact CD1-CZ2 3.56Å; Y808-W813 HydrophobicContact CD1-CZ2 3.56Å; Y808-W813 HydrophobicContact CE1-CZ2 4.35Å; Y808-W813 AromaticContact CG-CH2 3.98Å; Y808-W813 HydrophobicContact CG-CH2 3.98Å; Y808-W813 AromaticContact CG-CZ2 3.88Å; Y808-W813 HydrophobicContact CG-CZ2 3.88Å; Y808-W813 PolarHBondContact O-N 3.32Å
809C97.6Very high94.2Very high3 Ų347.3 Ų47.32%0.0225%0.245CC..Iπ-helixtrans-59.7-38178.3-80.30000112.9I805 D807 D814 V815 T817I805-C809 VanDerWaalsContact O-CB 3.22Å; I805-C809 WeakPolarHBondContact O-CB 3.44Å; I805-C809 PolarHBondContact O-N 2.72Å; I805-C809 PolarHBondContact O-SG 3.26Å; D807-C809 VanDerWaalsContact C-N 3.35Å; D807-C809 PolarHBondContact O-N 2.71Å; C809-D814 WeakPolarHBondContact O-CA 3.37Å; C809-D814 PolarHBondContact O-N 3.23Å; C809-V815 WeakPolarHBondContact CB-O 3.33Å; C809-V815 PolarHBondContact O-N 2.89Å; C809-T817 HydrophobicContact CB-CG2 3.84Å
810R96.9Very high94.1Very high128 Ų12853.2 Ų53.248%0.48327%0.273SS..Iπ-helixtrans-82.4-43.8-179.1179.4-176.662.7-119.9-6.2113.6I478 K806 D807 Y808I478-R810 VanDerWaalsContact CD1-NH2 3.27Å; K806-R810 WeakPolarHBondContact O-CB 3.44Å; K806-R810 PolarHBondContact O-N 3.07Å; K806-R810 VanDerWaalsContact O-N 3.11Å; D807-R810 PolarHBondContact O-N 3.49Å; D807-R810 IonicContact OD1-CZ 3.91Å; D807-R810 IonicContact OD1-NH1 2.84Å; D807-R810 PolarHBondContact OD1-NH1 3Å; D807-R810 IonicContact OD1-NH2 2.75Å; D807-R810 PolarHBondContact OD1-NH2 2.97Å; Y808-R810 VanDerWaalsContact C-N 3.31Å; Y808-R810 PolarHBondContact O-N 3.39Å
811E95.6Very high94Very high80 Ų8060.2 Ų60.237%0.37430%0.297SS..Iπ-helixtrans-103-13.5-167.2-76.7170-103.900114.5S476 I478 D807S476-E811 WeakPolarHBondContact CB-OE2 3.44Å; S476-E811 PolarHBondContact OG-OE2 3.38Å; I478-E811 WeakPolarHBondContact CD1-OE1 3.23Å; D807-E811 PolarHBondContact O-N 3.22Å
812I96.3Very high93.9Very high27 Ų2760.2 Ų60.214%0.13829%0.294CS..Iπ-helixtrans-127.2-56.4-176.3-52.5-171.8000110.9A370 H450 A451 N453 Y808A370-I812 HydrophobicContact CB-CG2 3.32Å; H450-I812 PolarHBondContact NE2-O 2.66Å; A451-I812 HydrophobicContact CB-CG1 4.43Å; A451-I812 HydrophobicContact CB-CG2 3.9Å; N453-I812 HydrophobicContact CB-CD1 4.4Å; Y808-I812 HydrophobicContact CD1-CD1 3.65Å; Y808-I812 HydrophobicContact CD1-CG1 4.47Å; Y808-I812 HydrophobicContact CE1-CD1 3.9Å; Y808-I812 HydrophobicContact CG-CD1 4.46Å; Y808-I812 WeakPolarHBondContact O-CA 3.45Å; Y808-I812 WeakPolarHBondContact O-CB 3.32Å; Y808-I812 PolarHBondContact O-N 3.36Å
813W97.7Very high93.6Very high2 Ų263.4 Ų63.41%0.00832%0.315CS..Iπ-helixtrans-85.5-21.4-170-56.3-28.6000114.5K78 V80 M145 A331 Q333 I805 Y808 V815K78-W813 WeakPolarHBondContact CD-O 3.48Å; K78-W813 WeakPolarHBondContact CE-O 3.49Å; K78-W813 PolarHBondContact NZ-O 2.73Å; V80-W813 HydrophobicContact CB-CE3 4.38Å; V80-W813 HydrophobicContact CG1-CD2 3.73Å; V80-W813 HydrophobicContact CG1-CE3 3.77Å; V80-W813 HydrophobicContact CG1-CG 4.38Å; V80-W813 HydrophobicContact CG1-CH2 3.99Å; V80-W813 HydrophobicContact CG1-CZ2 3.95Å; V80-W813 HydrophobicContact CG1-CZ3 3.9Å; V80-W813 HydrophobicContact CG2-CB 4.23Å; V80-W813 HydrophobicContact CG2-CD2 3.94Å; V80-W813 HydrophobicContact CG2-CE3 3.7Å; V80-W813 HydrophobicContact CG2-CG 4.19Å; V80-W813 HydrophobicContact CG2-CZ3 4.38Å; M145-W813 HydrophobicContact CG-CZ3 4.44Å; M145-W813 HydrophobicContact SD-CH2 3.9Å; M145-W813 HydrophobicContact SD-CZ3 3.79Å; A331-W813 HydrophobicContact CB-CB 4.16Å; A331-W813 HydrophobicContact CB-CG 4.26Å; Q333-W813 HydrophobicContact CB-CZ2 4.09Å; Q333-W813 HydrophobicContact CG-CZ2 4.13Å; I805-W813 HydrophobicContact CD1-CH2 3.86Å; I805-W813 HydrophobicContact CD1-CZ3 4.1Å; I805-W813 HydrophobicContact CG2-CZ3 4.49Å; Y808-W813 AromaticContact CD1-CE2 3.89Å; Y808-W813 HydrophobicContact CD1-CH2 4.15Å; Y808-W813 AromaticContact CD1-CZ2 3.56Å; Y808-W813 HydrophobicContact CD1-CZ2 3.56Å; Y808-W813 HydrophobicContact CE1-CZ2 4.35Å; Y808-W813 AromaticContact CG-CH2 3.98Å; Y808-W813 HydrophobicContact CG-CH2 3.98Å; Y808-W813 AromaticContact CG-CZ2 3.88Å; Y808-W813 HydrophobicContact CG-CZ2 3.88Å; Y808-W813 PolarHBondContact O-N 3.32Å; W813-V815 HydrophobicContact CB-CG2 3.96Å
814D96.4Very high93Very high125 Ų12560 Ų6067%0.66830%0.304SS*.  trans51.961.4-171.9-176.939000111.6K78 C809K78-D814 WeakPolarHBondContact CD-O 3.25Å; C809-D814 WeakPolarHBondContact O-CA 3.37Å; C809-D814 PolarHBondContact O-N 3.23Å
815V96Very high92.3Very high9 Ų958.9 Ų58.96%0.05530%0.297CS..  trans-134.1130.4-178.4179.50000109.5K78 V80 V150 C809 W813K78-V815 HydrophobicContact CB-CG2 4.2Å; K78-V815 HydrophobicContact CD-CG2 4.02Å; K78-V815 HydrophobicContact CG-CG2 4.02Å; V80-V815 HydrophobicContact CG2-CG2 3.96Å; V150-V815 HydrophobicContact CG1-CG1 4.06Å; C809-V815 WeakPolarHBondContact CB-O 3.33Å; C809-V815 PolarHBondContact O-N 2.89Å; W813-V815 HydrophobicContact CB-CG2 3.96Å
816P92.7Very high91.4Very high112 Ų11262.6 Ų62.673%0.72731%0.313SS*.  trans-70.8140.617729.1-34.9000112
817T95.2Very high90.1Very high54 Ų5464.9 Ų64.933%0.33133%0.325SS..  trans-98.4145.7168.457.30000110.5L148 V150 K806 C809L148-T817 HydrophobicContact CB-CG2 4.2Å; L148-T817 HydrophobicContact CD1-CG2 4.35Å; V150-T817 HydrophobicContact CG2-CG2 4Å; K806-T817 HydrophobicContact CG-CG2 4.2Å; C809-T817 HydrophobicContact CB-CG2 3.84Å
818T92.8Very high88.1Confident53 Ų5365.4 Ų65.433%0.32534%0.34SS..  trans-137.5152.9174.2-172.20000111.9L148 E820L148-T818 CarbonylContact C-O 3.25Å; L148-T818 WeakPolarHBondContact CA-O 3.31Å; L148-T818 PolarHBondContact O-N 3.08Å; T818-E820 WeakPolarHBondContact OG1-CB 3.35Å; T818-E820 VanDerWaalsContact OG1-CG 3.32Å; T818-E820 WeakPolarHBondContact OG1-CG 3.47Å; T818-E820 PolarHBondContact OG1-N 2.75Å; T818-E820 PolarHBondContact OG1-OE2 3.06Å
819L89.4Confident85.8Confident93 Ų9368.6 Ų68.649%0.48736%0.362SS..  trans-108.47.2167.7-65.6177.1000111.7L148 R821L148-L819 HydrophobicContact CD2-CD2 3.95Å; L819-R821 PolarHBondContact O-N 2.81Å
820E88.3Confident83Confident152 Ų15272.4 Ų72.471%0.7139%0.387SS*.PPolyproline II helixtrans-62.3133173.3-69.3173.1154.900110.6T818T818-E820 WeakPolarHBondContact OG1-CB 3.35Å; T818-E820 VanDerWaalsContact OG1-CG 3.32Å; T818-E820 WeakPolarHBondContact OG1-CG 3.47Å; T818-E820 PolarHBondContact OG1-N 2.75Å; T818-E820 PolarHBondContact OG1-OE2 3.06Å
821R90.3Very high80.2Confident162 Ų16268.8 Ų68.861%0.61138%0.381SS*.PPolyproline II helixtrans-81131.1177.7-54.3-171.6164.6-169.8-14.9109.5Q233 N234 L819Q233-R821 WeakPolarHBondContact O-CD 3.24Å; Q233-R821 VanDerWaalsContact O-CZ 3.26Å; Q233-R821 PolarHBondContact O-NE 3.44Å; N234-R821 CarbonylContact O-C 3.11Å; N234-R821 WeakPolarHBondContact O-CA 3.37Å; L819-R821 PolarHBondContact O-N 2.81Å
822L89.4Confident77.5Confident32 Ų3269.1 Ų69.117%0.16840%0.398CS..PPolyproline II helixtrans-64148.9161.8-65.8180000108.8N234 N235 V236N234-L822 PolarHBondContact O-N 2.88Å; N235-L822 HydrophobicContact CB-CB 4.07Å; N235-L822 WeakPolarHBondContact CB-O 3.29Å; N235-L822 PolarHBondContact ND2-O 3.07Å; V236-L822 HydrophobicContact CG2-CD1 3.89Å; V236-L822 HydrophobicContact CG2-CG 4Å
823P85.4Confident74.7Confident79 Ų7975 Ų7551%0.51343%0.425SS..PPolyproline II helixtrans-55.8148.4177.9-2634.7000112.2R67R67-P823 PolarHBondContact NH1-O 3.21Å; R67-P823 PolarHBondContact NH2-O 3.38Å
824A82Confident71.9Confident6 Ų681.4 Ų81.45%0.0546%0.455CS..PPolyproline II helixtrans-66.1156.3178.600000111.3R67 F826 E827R67-A824 PolarHBondContact NH1-O 3.14Å; A824-F826 VanDerWaalsContact C-N 3.34Å; A824-F826 HydrophobicContact CB-CD1 4.42Å; A824-F826 HydrophobicContact CB-CD2 4.3Å; A824-F826 HydrophobicContact CB-CE1 3.91Å; A824-F826 HydrophobicContact CB-CE2 3.78Å; A824-F826 HydrophobicContact CB-CZ 3.57Å; A824-F826 PolarHBondContact O-N 3.21Å; A824-E827 HydrophobicContact CB-CB 4.26Å; A824-E827 HydrophobicContact CB-CG 3.82Å; A824-E827 VanDerWaalsContact CB-OE2 3.23Å; A824-E827 WeakPolarHBondContact CB-OE2 3.42Å; A824-E827 PolarHBondContact N-OE2 3.41Å; A824-E827 PolarHBondContact O-N 2.83Å
825P75.9Confident69.2Low9 Ų981 Ų816%0.05846%0.456CS..THydrogen-bonded Turntrans-73.8-24.4-173.229.9-35.5000114.1A17 R64 R67A17-P825 HydrophobicContact CB-CB 3.74Å; A17-P825 HydrophobicContact CB-CG 4.31Å; A17-P825 WeakPolarHBondContact CB-O 3.46Å; R64-P825 HydrophobicContact CG-CG 4.11Å; R67-P825 VanDerWaalsContact CZ-CA 3.43Å
826F75Confident66.3Low78 Ų7884.7 Ų84.734%0.34248%0.482SS..THydrogen-bonded Turntrans-87.4-10.517451.2-100.4000113.2V19 E20 A824V19-F826 HydrophobicContact CG2-CB 4.27Å; V19-F826 HydrophobicContact CG2-CD2 4.49Å; V19-F826 HydrophobicContact CG2-CG 4.33Å; E20-F826 HydrophobicContact CG-CE1 4.46Å; A824-F826 VanDerWaalsContact C-N 3.34Å; A824-F826 HydrophobicContact CB-CD1 4.42Å; A824-F826 HydrophobicContact CB-CD2 4.3Å; A824-F826 HydrophobicContact CB-CE1 3.91Å; A824-F826 HydrophobicContact CB-CE2 3.78Å; A824-F826 HydrophobicContact CB-CZ 3.57Å; A824-F826 PolarHBondContact O-N 3.21Å
827E69.1Low63.3Low106 Ų10687.4 Ų87.450%0.49548%0.483SS..PPolyproline II helixtrans-80.2138.2177.6-74.9167.1172.900111.3A824A824-E827 HydrophobicContact CB-CB 4.26Å; A824-E827 HydrophobicContact CB-CG 3.82Å; A824-E827 VanDerWaalsContact CB-OE2 3.23Å; A824-E827 WeakPolarHBondContact CB-OE2 3.42Å; A824-E827 PolarHBondContact N-OE2 3.41Å; A824-E827 PolarHBondContact O-N 2.83Å
828G53Low60.5Low50 Ų5090.5 Ų90.552%0.51550%0.504SS..PPolyproline II helixtrans-69165.7166.100000111.4
829P46.5Very low57.7Low80 Ų8096.8 Ų96.852%0.51953%0.529SS..PPolyproline II helixtrans-57.6146.7159.230.7-34.7000108.6S831P829-S831 PolarHBondContact O-N 3.35Å
830P40Very low55Low83 Ų8398 Ų9854%0.53954%0.543SS..PPolyproline II helixtrans-53.8140.217423.8-33.7000109.4Q834 V835P830-Q834 HydrophobicContact CB-CB 4.38Å; P830-V835 HydrophobicContact CB-CG2 4.38Å; P830-V835 HydrophobicContact CG-CG2 4.23Å
831S37.9Very low52.6Low52 Ų5294.5 Ų94.536%0.36454%0.54SS..PPolyproline II helixtrans-63152.1-179.870.20000109.7P829 E833 Q834P829-S831 PolarHBondContact O-N 3.35Å; S831-E833 PolarHBondContact O-N 2.97Å; S831-Q834 WeakPolarHBondContact O-CB 3.18Å; S831-Q834 PolarHBondContact O-N 3.24Å
832A37.6Very low50.1Low88 Ų8893 Ų9373%0.72755%0.552SS**THydrogen-bonded Turntrans-56.4-27.2179.700000112.4V835A832-V835 PolarHBondContact O-N 3.11Å
833E38.6Very low47.5Very low150 Ų15097.8 Ų97.870%0.70158%0.582SS**THydrogen-bonded Turntrans-74-20.1177.2-55.8177.7133.600114.1S831 S836S831-E833 PolarHBondContact O-N 2.97Å; E833-S836 PolarHBondContact O-OG 3.4Å
834Q39.1Very low45Very low137 Ų13798.7 Ų98.764%0.6460%0.597SS**THydrogen-bonded Turntrans-84.1-23174.5-74.3176.3-36.600112.5P830 S831P830-Q834 HydrophobicContact CB-CB 4.38Å; S831-Q834 WeakPolarHBondContact O-CB 3.18Å; S831-Q834 PolarHBondContact O-N 3.24Å
835V40Very low42.9Very low116 Ų116103.1 Ų103.170%0.70363%0.633SS**SBendtrans-87.8-10.8177.4-172.10000111.6P830 A832P830-V835 HydrophobicContact CB-CG2 4.38Å; P830-V835 HydrophobicContact CG-CG2 4.23Å; A832-V835 PolarHBondContact O-N 3.11Å
836S33.9Very low41Very low86 Ų86107.4 Ų107.460%0.60167%0.669SS**SBendtrans-104.419.4-176.271.20000115E833E833-S836 PolarHBondContact O-OG 3.4Å
837K29.5Very low38.9Very low169 Ų169108.8 Ų108.874%0.73570%0.695SS**  trans-126.7114.1170.5-76-177.8178.3174.60109.9
838P36Very low37.4Very low120 Ų120108.4 Ų108.478%0.77971%0.71SS**  trans-62.9146.5157.129.9-32.8000108.3
839E35.2Very low36.6Very low184 Ų184110.6 Ų110.686%0.8672%0.723SS**  trans-57.6136.9165.3-68.2-173.5120.300109A841E839-A841 PolarHBondContact O-N 3.28Å
840P33Very low35.9Very low118 Ų118113.1 Ų113.177%0.76674%0.74SS**  trans-64114.3171.127.3-32000107.8
841A38.3Very low35.8Very low80 Ų80113.6 Ų113.666%0.66175%0.75SS**  trans-50.5138173.800000109.4E839 T843E839-A841 PolarHBondContact O-N 3.28Å; A841-T843 PolarHBondContact O-N 2.95Å
842P37.5Very low35.6Very low130 Ų130117.3 Ų117.384%0.84477%0.773SS**  trans-54.7115.8-171.821-33.2000109.7A844P842-A844 PolarHBondContact O-N 3.48Å
843T33.6Very low35.5Very low132 Ų132117.9 Ų117.981%0.8178%0.778SS**  trans-62.6108.2-168.247.40000110.2A841 A845A841-T843 PolarHBondContact O-N 2.95Å; T843-A845 PolarHBondContact O-N 3.46Å; T843-A845 VanDerWaalsContact O-N 3.12Å
844A33.3Very low35.3Very low99 Ų99116.6 Ų116.682%0.81878%0.783SS**  trans-56.5117.9171.500000108.8P842P842-A844 PolarHBondContact O-N 3.48Å
845A38.2Very low34.9Very low98 Ų98114.5 Ų114.581%0.8179%0.789SS**  trans-61.9145.6-177.900000110.9T843T843-A845 PolarHBondContact O-N 3.46Å; T843-A845 VanDerWaalsContact O-N 3.12Å
846A36.1Very low34.5Very low99 Ų99121.2 Ų121.282%0.81880%0.802SS**  trans-33.8127.9-169.200000116.2A848A846-A848 PolarHBondContact O-N 2.85Å
847A30.3Very low34.4Very low108 Ų108121.9 Ų121.989%0.89381%0.813SS**  trans-65.8115.616900000110.7
848A37.7Very low34.6Very low97 Ų97119.2 Ų119.280%0.80281%0.813SS**PPolyproline II helixtrans-84.4147.9162.900000110.1A846A846-A848 PolarHBondContact O-N 2.85Å
849A36.4Very low34.3Very low97 Ų97121.3 Ų121.380%0.80282%0.816SS**PPolyproline II helixtrans-69.2150.1-169.600000113.9
850P33Very low34Very low132 Ų132117.2 Ų117.286%0.85781%0.813SS**PPolyproline II helixtrans-77.9137-178.731.4-34.9000112.8
851A36.5Very low34.4Very low93 Ų93117.2 Ų117.277%0.76981%0.813SS**PPolyproline II helixtrans-101.7142.8163.900000110.1
852P33.9Very low34Very low130 Ų130119.9 Ų119.984%0.84482%0.821SS**PPolyproline II helixtrans-78.8148.3-172.631.5-35.7000113.4
853A35Very low33.7Very low100 Ų100122 Ų12283%0.82682%0.817SS**PPolyproline II helixtrans-93.5144.9-177.400000113.7
854P34.5Very low33.5Very low124 Ų124124 Ų12481%0.80582%0.817SS**PPolyproline II helixtrans-103.5124.116734.6-28.4000114.2
855A32.4Very low33.3Very low93 Ų93123.7 Ų123.777%0.76982%0.815SS**  trans20.7120.2150.700000123.4
856R29.5Very low32.8Very low256 Ų256123.2 Ų123.297%0.96681%0.811SS**  38.3122127.5-68-180168.8-176.7-3.3121.4
857A32.5Very low32.4Very low101 Ų101124.1 Ų124.184%0.83581%0.807SS**  -152148.8125.600000110.7
858P33.9Very low32.4Very low113 Ų113127.5 Ų127.573%0.73480%0.804SS**  trans-126149.6-168.836.8-20.1000117.9
859I29.8Very low31.9Very low164 Ų164127.6 Ų127.684%0.84180%0.799SS**  trans59114.6147.3-56.5162.6000119.8
860A29.7Very low31.8Very low97 Ų97128.8 Ų128.880%0.80280%0.801SS**  trans-171.6135.9131.300000111.8
861P40.4Very low31.7Very low119 Ų119130.5 Ų130.577%0.77380%0.802SS**  trans-127.6135.2177.137.7-24.3000116.1
862T31Very low32Very low135 Ų135132.1 Ų132.183%0.82881%0.805SS**  trans-153.5116.1167.63.70000116.2
863K29.5Very low31.8Very low174 Ų174134 Ų13476%0.75780%0.802SS**  42.4131.3129.2-69.3-176176.8-179.80124
864Q29.5Very low31.9Very low174 Ų174136.2 Ų136.281%0.81381%0.805SS**  91.2129.2128.6-79.5174-54.600123.3
865A29.1Very low31.8Very low93 Ų93138.3 Ų138.377%0.76980%0.801SS**  trans83.398.8135.300000123.1
866A28.3Very low31.7Very low88 Ų88142.2 Ų142.273%0.72780%0.803SS**  83.1146.2110.800000124.2
867T28.5Very low32Very low119 Ų119137.1 Ų137.173%0.7380%0.8SS**  trans74.9121.914935.60000123.2
868Q30.1Very low32Very low179 Ų179135.9 Ų135.984%0.83680%0.797SS**  trans66.4163.5145-63.6179.311.900118.4
869S26.4Very low31.8Very low99 Ų99136.4 Ų136.469%0.69280%0.804SS**  cis-166152.3-41.660.60000109.1
870S33.5Very low32.2Very low122 Ų122133.6 Ų133.685%0.85381%0.805SS**  trans175.2149.6152.537.30000114.1
871L31.3Very low32.5Very low167 Ų167136.1 Ų136.187%0.87481%0.81SS**  trans-122.8159.1155.5-89.2165.3000106.9
872P42.8Very low32.5Very low127 Ų127134.2 Ų134.283%0.82581%0.812SS**  -142.2166.3125.533.4-18000115.3
873H30.8Very low32.9Very low170 Ų170138.8 Ų138.879%0.78782%0.815SS**  trans-79.6160.9178.4-71.2-72.5000114.7
874V35.6Very low33.4Very low146 Ų146137.6 Ų137.689%0.88581%0.812SS**  trans-129154.9137.8-177.60000108.6
875K34.2Very low33.9Very low169 Ų169138.8 Ų138.874%0.73581%0.814SS**  trans-116.6156.3-172.4-81.6-177.9174.3179.10113.9
876H30.2Very low34.7Very low174 Ų174137.9 Ų137.981%0.80681%0.814SS**  trans13.7138.4152.8-62.7-73.6000122.1
877V34.2Very low35.5Very low150 Ų150142.6 Ų142.691%0.90985%0.853SS**  -176.7150110148.30000106.6
878G32.7Very low35.9Very low74 Ų74143.8 Ų143.876%0.76386%0.859SS**  cis-157.4-155.46.800000112.4
879S31.1Very low36.2Very low125 Ų125141.9 Ų141.987%0.87486%0.86SS**  trans-126.7153.8-165.352.30000114.8
880A36.9Very low36.7Very low105 Ų105144.3 Ų144.387%0.86887%0.87SS**  trans-153.4152.7160.100000110
881T37.3Very low36.9Very low149 Ų149145.6 Ų145.691%0.91487%0.871SS**  trans-115.9149.3-173.346.70000112.9
882G38.9Very low37.2Very low79 Ų79144.3 Ų144.381%0.81487%0.87SS**  trans-131.3142.8172.200000111
883R40.8Very low36.9Very low232 Ų232145.5 Ų145.588%0.87587%0.873SS**  trans-108.8132.6-167.1-99.2-175.9176.4170.1-2.4114.3
884Q39.8Very low37.3Very low148 Ų148143.7 Ų143.769%0.69288%0.879SS**  trans53.6128.6130.2-70.3-176.3-38.100123.3
885K39.7Very low37.4Very low200 Ų200143.5 Ų143.587%0.8788%0.879SS**  trans68.7128.1134.4-70.1-174173.7-167.70120.7
886G45.4Very low37.7Very low74 Ų74141.4 Ų141.476%0.76389%0.891SS**  trans173118.4154.100000111.6
887A45.7Very low38.4Very low187 Ų187138.5 Ų138.5100%1.54590%0.899SS**  trans64.90-172.100000115.2

Retrieved 887 of 887 residues in 641.5 ms (Link to these results)

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