A0A087XNK1_POEFO Loading...

Peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidase

Specifically deglycosylates the denatured form of N-linked glycoproteins in the cytoplasm and assists their proteasome-mediated degradation. Cleaves the beta-aspartyl-glucosamine (GlcNAc) of the glycan and the amide side chain of Asn, converting Asn to Asp. Prefers proteins containing high-mannose over those bearing complex type oligosaccharides. Can recognize misfolded proteins in the endoplasmic reticulum that are exported to the cytosol to be destroyed and deglycosylate them, while it has no activity toward native proteins. Deglycosylation is a prerequisite for subsequent proteasome-mediated degradation of some, but not all, misfolded glycoproteins.

AlphaFold DB , UniProt , Accession A0A087XNK1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 634 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
1M47.8Very low78.1Confident213 Ų21359.6 Ų59.6100%1.04935%0.352SS*.  0127.80-65-175.5-166.800106.6L3M1-L3 PolarHBondContact O-N 3.18Å
2S52.9Low79Confident116 Ų11663.3 Ų63.381%0.81137%0.368SS*.PPolyproline II helixtrans-63.7125.3173.748.80000108.4
3L64.8Low80Confident80 Ų8060.7 Ų60.742%0.41935%0.352SS..PPolyproline II helixtrans-60.3139.7174.4-74.3161.3000109.2M1 V7 C94M1-L3 PolarHBondContact O-N 3.18Å; L3-V7 HydrophobicContact CD2-CG1 3.94Å; L3-C94 HydrophobicContact CD2-CB 4.32Å
4S80.5Confident80.8Confident22 Ų2261.6 Ų61.615%0.15436%0.364CS..PPolyproline II helixtrans-62.2148.2175.5-1550000110.8A6 V7 T8 E67 I91S4-A6 VanDerWaalsContact C-N 3.32Å; S4-A6 PolarHBondContact O-N 2.94Å; S4-V7 PolarHBondContact O-N 2.99Å; S4-V7 VanDerWaalsContact O-N 3.14Å; S4-T8 PolarHBondContact O-N 3.49Å; S4-T8 PolarHBondContact O-OG1 3.4Å; S4-E67 WeakPolarHBondContact CB-OE2 3.5Å; S4-E67 PolarHBondContact OG-OE1 3.27Å; S4-E67 PolarHBondContact OG-OE2 3.27Å; S4-I91 WeakPolarHBondContact OG-CD1 3.3Å
5P82.5Confident81.4Confident93 Ų9363.7 Ų63.760%0.60437%0.373SS*.Hα-helixtrans-55.4-41.5179.1-2735.9000113.7T8 T9P5-T8 PolarHBondContact O-N 2.9Å; P5-T9 PolarHBondContact O-N 3.08Å; P5-T9 PolarHBondContact O-OG1 2.91Å
6A83.7Confident81.9Confident3 Ų369.9 Ų69.93%0.02540%0.397CS..Hα-helixtrans-67.3-41.2175.800000112.4S4 T8 T9 L10 E63 C64 E67S4-A6 VanDerWaalsContact C-N 3.32Å; S4-A6 PolarHBondContact O-N 2.94Å; A6-T8 VanDerWaalsContact C-N 3.31Å; A6-T8 PolarHBondContact O-N 3.2Å; A6-T9 CarbonylContact O-C 3.54Å; A6-T9 WeakPolarHBondContact O-CB 3.33Å; A6-T9 PolarHBondContact O-N 3.17Å; A6-L10 WeakPolarHBondContact O-CB 3.2Å; A6-L10 PolarHBondContact O-N 2.62Å; A6-E63 VanDerWaalsContact CB-C 3.46Å; A6-E63 HydrophobicContact CB-CB 3.57Å; A6-C64 HydrophobicContact CB-CB 4.46Å; A6-E67 HydrophobicContact CB-CG 4.02Å; A6-E67 WeakPolarHBondContact CB-OE1 3.33Å; A6-E67 WeakPolarHBondContact CB-OE2 3.45Å; A6-E67 PolarHBondContact N-OE1 2.61Å
7V89.2Confident82.3Confident0 Ų068.6 Ų68.60%039%0.391CS..Hα-helixtrans-63.8-39.7177.2-178.90000110.7L3 S4 T9 L10 C11 I91 C94 I95L3-V7 HydrophobicContact CD2-CG1 3.94Å; S4-V7 PolarHBondContact O-N 2.99Å; S4-V7 VanDerWaalsContact O-N 3.14Å; V7-T9 VanDerWaalsContact C-N 3.31Å; V7-T9 PolarHBondContact O-N 2.8Å; V7-L10 WeakPolarHBondContact O-CB 3.03Å; V7-L10 PolarHBondContact O-N 2.82Å; V7-C11 PolarHBondContact O-N 2.85Å; V7-C11 PolarHBondContact O-SG 3.3Å; V7-I91 HydrophobicContact CG2-CG2 3.96Å; V7-C94 HydrophobicContact CG1-CB 4.2Å; V7-C94 HydrophobicContact CG2-CB 4.14Å; V7-I95 HydrophobicContact CG1-CG1 4.28Å; V7-I95 HydrophobicContact CG2-CD1 4.5Å; V7-I95 HydrophobicContact CG2-CG1 3.93Å
8T89.3Confident83Confident64 Ų6464.8 Ų64.839%0.39337%0.369SS..Hα-helixtrans-60.7-43.7174.7-53.90000111S4 P5 A6 L10 C11 D12S4-T8 PolarHBondContact O-N 3.49Å; S4-T8 PolarHBondContact O-OG1 3.4Å; P5-T8 PolarHBondContact O-N 2.9Å; A6-T8 VanDerWaalsContact C-N 3.31Å; A6-T8 PolarHBondContact O-N 3.2Å; T8-L10 VanDerWaalsContact C-N 3.33Å; T8-L10 PolarHBondContact O-N 2.84Å; T8-C11 WeakPolarHBondContact O-CB 3.3Å; T8-C11 PolarHBondContact O-N 2.63Å; T8-D12 PolarHBondContact O-N 3.46Å
9T86.6Confident83.5Confident42 Ų4263.7 Ų63.726%0.25836%0.362SS..Hα-helixtrans-67.2-35.5177.4-54.40000111.8P5 A6 V7 C11 D12 K59P5-T9 PolarHBondContact O-N 3.08Å; P5-T9 PolarHBondContact O-OG1 2.91Å; A6-T9 CarbonylContact O-C 3.54Å; A6-T9 WeakPolarHBondContact O-CB 3.33Å; A6-T9 PolarHBondContact O-N 3.17Å; V7-T9 VanDerWaalsContact C-N 3.31Å; V7-T9 PolarHBondContact O-N 2.8Å; T9-C11 VanDerWaalsContact C-N 3.3Å; T9-C11 PolarHBondContact O-N 2.92Å; T9-D12 WeakPolarHBondContact O-CB 3.07Å; T9-D12 PolarHBondContact O-N 3.17Å; T9-K59 HydrophobicContact CG2-CD 3.82Å; T9-K59 HydrophobicContact CG2-CG 3.63Å
10L91.2Very high83.8Confident0 Ų066 Ų660%037%0.373CS..Hα-helixtrans-64.6-36.2173.2-175.465.9000111.2A6 V7 T8 D12 N13 F18 V21 L25 I58 A61 I95A6-L10 WeakPolarHBondContact O-CB 3.2Å; A6-L10 PolarHBondContact O-N 2.62Å; V7-L10 WeakPolarHBondContact O-CB 3.03Å; V7-L10 PolarHBondContact O-N 2.82Å; T8-L10 VanDerWaalsContact C-N 3.33Å; T8-L10 PolarHBondContact O-N 2.84Å; L10-D12 PolarHBondContact O-N 3.3Å; L10-N13 PolarHBondContact O-N 3.1Å; L10-N13 PolarHBondContact O-ND2 2.79Å; L10-F18 HydrophobicContact CD2-CD2 4.39Å; L10-F18 HydrophobicContact CD2-CE2 3.92Å; L10-F18 HydrophobicContact CG-CD2 3.89Å; L10-F18 HydrophobicContact CG-CE2 3.82Å; L10-F18 WeakPolarHBondContact O-CD2 3.48Å; L10-V21 HydrophobicContact CD1-CG1 3.84Å; L10-L25 HydrophobicContact CD2-CD1 3.65Å; L10-I58 HydrophobicContact CD1-CG2 4.38Å; L10-A61 HydrophobicContact CD1-CB 4.08Å; L10-I95 HydrophobicContact CD2-CD1 4.47Å; L10-I95 HydrophobicContact CD2-CG1 4.36Å
11C90.3Very high84.2Confident23 Ų2363 Ų6316%0.15536%0.356CS..Hα-helixtrans-65.4-19.6176.7-66.20000114.2V7 T8 T9 N13 R102V7-C11 PolarHBondContact O-N 2.85Å; V7-C11 PolarHBondContact O-SG 3.3Å; T8-C11 WeakPolarHBondContact O-CB 3.3Å; T8-C11 PolarHBondContact O-N 2.63Å; T9-C11 VanDerWaalsContact C-N 3.3Å; T9-C11 PolarHBondContact O-N 2.92Å; C11-N13 PolarHBondContact O-N 2.99Å; C11-R102 VanDerWaalsContact CA-NH2 3.33Å; C11-R102 PolarHBondContact O-NH2 2.98Å
12D89.9Confident86.5Confident103 Ų10352.8 Ų52.855%0.55131%0.306SS*.THydrogen-bonded Turntrans-68.3-14.5177.6-68.3-18.8000113.1T8 T9 L10 K59T8-D12 PolarHBondContact O-N 3.46Å; T9-D12 WeakPolarHBondContact O-CB 3.07Å; T9-D12 PolarHBondContact O-N 3.17Å; L10-D12 PolarHBondContact O-N 3.3Å; D12-K59 IonicContact OD2-NZ 3.34Å; D12-K59 PolarHBondContact OD2-NZ 2.75Å
13N91.1Very high88.4Confident30 Ų3053.7 Ų53.716%0.1630%0.295CS..SBendtrans-77152.7177.8-59.6-81.3000111.2L10 C11 V17 I58 K59 R102L10-N13 PolarHBondContact O-N 3.1Å; L10-N13 PolarHBondContact O-ND2 2.79Å; C11-N13 PolarHBondContact O-N 2.99Å; N13-V17 HydrophobicContact CB-CB 4.33Å; N13-V17 HydrophobicContact CB-CG1 3.98Å; N13-I58 HydrophobicContact CB-CG2 4.46Å; N13-I58 WeakPolarHBondContact OD1-CG2 3.38Å; N13-K59 PolarHBondContact ND2-O 2.83Å; N13-R102 PolarHBondContact O-NH1 3.04Å; N13-R102 VanDerWaalsContact O-NH1 3.11Å
14S92.2Very high89.8Confident74 Ų7451.5 Ų51.552%0.51728%0.284SS..  trans-55.3149.7174.860.20000111.5E16 V17 F18S14-E16 VanDerWaalsContact C-N 3.29Å; S14-E16 PolarHBondContact O-N 2.72Å; S14-V17 PolarHBondContact O-N 2.78Å; S14-V17 WeakPolarHBondContact OG-CB 3.23Å; S14-V17 WeakPolarHBondContact OG-CG2 3.17Å; S14-F18 PolarHBondContact O-N 2.84Å
15D89.1Confident90.4Very high93 Ų9350.4 Ų50.450%0.49728%0.276SS..Hα-helixtrans-51.9-43.5-176-70.6-15.8000113.7F18 L19 R102D15-F18 PolarHBondContact O-N 2.81Å; D15-L19 WeakPolarHBondContact O-CB 3.38Å; D15-L19 WeakPolarHBondContact O-CG 3.46Å; D15-L19 PolarHBondContact O-N 2.86Å; D15-R102 WeakPolarHBondContact OD1-CD 3.23Å; D15-R102 IonicContact OD1-CZ 2.74Å; D15-R102 IonicContact OD1-NE 3.52Å; D15-R102 IonicContact OD1-NH1 3.51Å; D15-R102 PolarHBondContact OD1-NH1 3.2Å
16E89.4Confident91.1Very high162 Ų16246.1 Ų46.176%0.75725%0.248SC*.Hα-helixtrans-60.9-49.4178.1-64.3-178.5175.900112.1S14 L19 D20S14-E16 VanDerWaalsContact C-N 3.29Å; S14-E16 PolarHBondContact O-N 2.72Å; E16-L19 PolarHBondContact O-N 2.68Å; E16-D20 PolarHBondContact O-N 3.03Å; E16-D20 VanDerWaalsContact O-N 3.11Å
17V89.6Confident91.6Very high49 Ų4949.1 Ų49.130%0.29727%0.266SS..Hα-helixtrans-63.5-43178173.60000111.4N13 S14 D20 V21 I58N13-V17 HydrophobicContact CB-CB 4.33Å; N13-V17 HydrophobicContact CB-CG1 3.98Å; S14-V17 PolarHBondContact O-N 2.78Å; S14-V17 WeakPolarHBondContact OG-CB 3.23Å; S14-V17 WeakPolarHBondContact OG-CG2 3.17Å; V17-D20 PolarHBondContact O-N 2.79Å; V17-V21 WeakPolarHBondContact O-CG2 3.3Å; V17-V21 PolarHBondContact O-N 3.46Å; V17-V21 VanDerWaalsContact O-N 3.08Å; V17-I58 HydrophobicContact CG1-CD1 3.67Å; V17-I58 HydrophobicContact CG1-CG1 4.11Å; V17-I58 HydrophobicContact CG1-CG2 3.74Å
18F94.3Very high91.8Very high0 Ų051 Ų510%027%0.273CS..Hα-helixtrans-60.3-49177.1176.1-87.2000111.1L10 S14 D15 D20 V21 A22 E98 R99L10-F18 HydrophobicContact CD2-CD2 4.39Å; L10-F18 HydrophobicContact CD2-CE2 3.92Å; L10-F18 HydrophobicContact CG-CD2 3.89Å; L10-F18 HydrophobicContact CG-CE2 3.82Å; L10-F18 WeakPolarHBondContact O-CD2 3.48Å; S14-F18 PolarHBondContact O-N 2.84Å; D15-F18 PolarHBondContact O-N 2.81Å; F18-D20 VanDerWaalsContact C-N 3.33Å; F18-D20 PolarHBondContact O-N 2.87Å; F18-V21 PolarHBondContact O-N 3.35Å; F18-A22 HydrophobicContact CD1-CB 4.31Å; F18-A22 HydrophobicContact CE1-CB 3.94Å; F18-A22 HydrophobicContact CZ-CB 4.22Å; F18-A22 WeakPolarHBondContact O-CB 3.38Å; F18-A22 PolarHBondContact O-N 3.49Å; F18-E98 HydrophobicContact CE1-CB 4.35Å; F18-E98 HydrophobicContact CE1-CG 3.84Å; F18-E98 HydrophobicContact CE2-CG 3.95Å; F18-E98 HydrophobicContact CZ-CB 3.8Å; F18-E98 HydrophobicContact CZ-CG 3.37Å; F18-R99 HydrophobicContact CE1-CB 4.14Å
19L92.1Very high92Very high44 Ų4448 Ų4823%0.2326%0.255CS..Hα-helixtrans-62.6-40.4-177.3-70.7174000111.9D15 E16 K23 R99 R102 L103D15-L19 WeakPolarHBondContact O-CB 3.38Å; D15-L19 WeakPolarHBondContact O-CG 3.46Å; D15-L19 PolarHBondContact O-N 2.86Å; E16-L19 PolarHBondContact O-N 2.68Å; L19-K23 PolarHBondContact O-N 2.85Å; L19-K23 VanDerWaalsContact O-N 3.16Å; L19-R99 HydrophobicContact CD2-CG 3.63Å; L19-R102 HydrophobicContact CD2-CB 4.25Å; L19-L103 HydrophobicContact CD1-CD2 3.86Å; L19-L103 HydrophobicContact CD2-CD1 4.43Å; L19-L103 HydrophobicContact CD2-CD2 3.86Å; L19-L103 HydrophobicContact CD2-CG 3.75Å; L19-L103 HydrophobicContact CG-CD2 4.49Å
20D89.8Confident92.3Very high108 Ų10848.3 Ų48.358%0.57826%0.255SS*.Hα-helixtrans-65.2-43.5177.4-88.9-5.9000112.4E16 V17 F18E16-D20 PolarHBondContact O-N 3.03Å; E16-D20 VanDerWaalsContact O-N 3.11Å; V17-D20 PolarHBondContact O-N 2.79Å; F18-D20 VanDerWaalsContact C-N 3.33Å; F18-D20 PolarHBondContact O-N 2.87Å
21V93.1Very high92.5Very high3 Ų350.3 Ų50.32%0.01827%0.266CS..Hα-helixtrans-73.7-42.4178.8173.10000112.3L10 V17 F18 K23 L24 L25 K54 L55 I58 A61L10-V21 HydrophobicContact CD1-CG1 3.84Å; V17-V21 WeakPolarHBondContact O-CG2 3.3Å; V17-V21 PolarHBondContact O-N 3.46Å; V17-V21 VanDerWaalsContact O-N 3.08Å; F18-V21 PolarHBondContact O-N 3.35Å; V21-K23 PolarHBondContact O-N 2.76Å; V21-L24 PolarHBondContact O-N 2.91Å; V21-L25 HydrophobicContact CG1-CD1 3.77Å; V21-L25 HydrophobicContact CG1-CG 4.13Å; V21-L25 PolarHBondContact O-N 2.8Å; V21-K54 WeakPolarHBondContact CG2-O 3.29Å; V21-L55 HydrophobicContact CG1-CG 4.35Å; V21-I58 HydrophobicContact CG2-CB 3.93Å; V21-I58 HydrophobicContact CG2-CG1 3.65Å; V21-I58 HydrophobicContact CG2-CG2 3.89Å; V21-A61 HydrophobicContact CG1-CB 3.63Å
22A94.4Very high92.6Very high0 Ų049.2 Ų49.20%026%0.259CS..Hα-helixtrans-56.6-38.4176.800000110.8F18 L24 L25 L26 I95 R99F18-A22 HydrophobicContact CD1-CB 4.31Å; F18-A22 HydrophobicContact CE1-CB 3.94Å; F18-A22 HydrophobicContact CZ-CB 4.22Å; F18-A22 WeakPolarHBondContact O-CB 3.38Å; F18-A22 PolarHBondContact O-N 3.49Å; A22-L24 PolarHBondContact O-N 2.8Å; A22-L25 PolarHBondContact O-N 2.91Å; A22-L26 VanDerWaalsContact O-CB 3.26Å; A22-L26 WeakPolarHBondContact O-CB 3.34Å; A22-L26 WeakPolarHBondContact O-CD1 3.29Å; A22-L26 WeakPolarHBondContact O-CG 3.39Å; A22-L26 PolarHBondContact O-N 2.93Å; A22-I95 HydrophobicContact CB-CG2 3.73Å; A22-R99 HydrophobicContact CB-CB 4.45Å; A22-R99 HydrophobicContact CB-CG 4.28Å
23K93.6Very high92.6Very high135 Ų13546.9 Ų46.959%0.58725%0.245SC*.Hα-helixtrans-59.1-43.8174.8-174.9179.1179.21790112.6L19 V21 T27L19-K23 PolarHBondContact O-N 2.85Å; L19-K23 VanDerWaalsContact O-N 3.16Å; V21-K23 PolarHBondContact O-N 2.76Å; K23-T27 WeakPolarHBondContact O-CB 3.38Å; K23-T27 PolarHBondContact O-N 2.91Å; K23-T27 VanDerWaalsContact O-N 3.09Å; K23-T27 PolarHBondContact O-OG1 2.73Å
24L93.2Very high92.6Very high33 Ų3354.7 Ų54.717%0.17327%0.273CS..Hα-helixtrans-70.2-46.1179.6-69.3172.3000111.8V21 A22 L26 T27 Y28 T50 K54 L55V21-L24 PolarHBondContact O-N 2.91Å; A22-L24 PolarHBondContact O-N 2.8Å; L24-L26 PolarHBondContact O-N 3.35Å; L24-T27 WeakPolarHBondContact O-CB 3.37Å; L24-T27 PolarHBondContact O-N 2.94Å; L24-T27 VanDerWaalsContact O-N 3.12Å; L24-Y28 HydrophobicContact CB-CE2 4.46Å; L24-Y28 WeakPolarHBondContact O-CD2 3.23Å; L24-Y28 PolarHBondContact O-N 2.95Å; L24-T50 HydrophobicContact CD1-CG2 4.09Å; L24-T50 HydrophobicContact CD2-CG2 3.83Å; L24-K54 HydrophobicContact CD1-CB 3.83Å; L24-K54 HydrophobicContact CD1-CD 4.37Å; L24-L55 HydrophobicContact CB-CD1 3.78Å; L24-L55 HydrophobicContact CD1-CD1 4.37Å
25L95Very high92.4Very high0 Ų053.5 Ų53.50%026%0.264CS..Hα-helixtrans-59.4-46177.7-72174.4000112.2L10 V21 A22 T27 Y28 A29 L55 A61 C64 L65 M68 I95L10-L25 HydrophobicContact CD2-CD1 3.65Å; V21-L25 HydrophobicContact CG1-CD1 3.77Å; V21-L25 HydrophobicContact CG1-CG 4.13Å; V21-L25 PolarHBondContact O-N 2.8Å; A22-L25 PolarHBondContact O-N 2.91Å; L25-T27 VanDerWaalsContact C-N 3.29Å; L25-T27 PolarHBondContact O-N 2.81Å; L25-Y28 PolarHBondContact O-N 2.88Å; L25-A29 PolarHBondContact O-N 2.85Å; L25-L55 HydrophobicContact CD2-CD1 3.99Å; L25-L55 HydrophobicContact CD2-CD2 4.04Å; L25-L55 HydrophobicContact CD2-CG 4.39Å; L25-L55 HydrophobicContact CG-CD1 4.23Å; L25-A61 WeakPolarHBondContact CD2-O 3.38Å; L25-C64 HydrophobicContact CD1-CB 4.05Å; L25-C64 HydrophobicContact CD2-CB 4.48Å; L25-L65 HydrophobicContact CD2-CD1 4.23Å; L25-L65 HydrophobicContact CD2-CD2 3.67Å; L25-L65 HydrophobicContact CD2-CG 3.66Å; L25-M68 HydrophobicContact CB-CE 4.41Å; L25-I95 HydrophobicContact CB-CD1 4.3Å; L25-I95 HydrophobicContact CD1-CD1 4.08Å
26L95.8Very high92.2Very high3 Ų351.8 Ų51.82%0.01626%0.258CS..Hα-helixtrans-63.7-36.3175.9-67.6171.5000111.5A22 L24 A29 D30 R92 I95 A96 R99A22-L26 VanDerWaalsContact O-CB 3.26Å; A22-L26 WeakPolarHBondContact O-CB 3.34Å; A22-L26 WeakPolarHBondContact O-CD1 3.29Å; A22-L26 WeakPolarHBondContact O-CG 3.39Å; A22-L26 PolarHBondContact O-N 2.93Å; L24-L26 PolarHBondContact O-N 3.35Å; L26-A29 PolarHBondContact O-N 2.88Å; L26-D30 WeakPolarHBondContact O-CB 3.38Å; L26-D30 PolarHBondContact O-N 3.12Å; L26-R92 HydrophobicContact CD2-CG 3.8Å; L26-R92 VanDerWaalsContact CD2-O 3.27Å; L26-R92 WeakPolarHBondContact CD2-O 3.29Å; L26-I95 HydrophobicContact CD1-CG2 4.26Å; L26-I95 HydrophobicContact CD2-CB 4.16Å; L26-I95 HydrophobicContact CD2-CG2 4.05Å; L26-I95 HydrophobicContact CG-CG2 3.97Å; L26-A96 HydrophobicContact CD1-CB 4.38Å; L26-A96 HydrophobicContact CD2-CB 4.03Å; L26-R99 VanDerWaalsContact CD1-CZ 3.45Å
27T93.9Very high91.8Very high65 Ų6550.3 Ų50.340%0.39926%0.26SS..Hα-helixtrans-63.4-42.9176.3-59.60000111.7K23 L24 L25 N31K23-T27 WeakPolarHBondContact O-CB 3.38Å; K23-T27 PolarHBondContact O-N 2.91Å; K23-T27 VanDerWaalsContact O-N 3.09Å; K23-T27 PolarHBondContact O-OG1 2.73Å; L24-T27 WeakPolarHBondContact O-CB 3.37Å; L24-T27 PolarHBondContact O-N 2.94Å; L24-T27 VanDerWaalsContact O-N 3.12Å; L25-T27 VanDerWaalsContact C-N 3.29Å; L25-T27 PolarHBondContact O-N 2.81Å; T27-N31 VanDerWaalsContact O-CB 3.32Å; T27-N31 WeakPolarHBondContact O-CB 3.47Å; T27-N31 PolarHBondContact O-N 2.96Å; T27-N31 PolarHBondContact O-ND2 2.88Å; T27-N31 VanDerWaalsContact O-ND2 3.12Å
28Y93.2Very high91.7Very high40 Ų4051.8 Ų51.816%0.15726%0.264CS..Hα-helixtrans-64.7-47.2176.8-66.7-51.9000112L24 L25 N31 I32 I44 F51 L55 L65L24-Y28 HydrophobicContact CB-CE2 4.46Å; L24-Y28 WeakPolarHBondContact O-CD2 3.23Å; L24-Y28 PolarHBondContact O-N 2.95Å; L25-Y28 PolarHBondContact O-N 2.88Å; Y28-N31 PolarHBondContact O-N 2.86Å; Y28-I32 PolarHBondContact O-N 2.87Å; Y28-I44 HydrophobicContact CD1-CD1 3.75Å; Y28-I44 HydrophobicContact CD1-CG1 3.99Å; Y28-I44 HydrophobicContact CD2-CD1 3.83Å; Y28-I44 HydrophobicContact CE1-CD1 4.04Å; Y28-I44 HydrophobicContact CE1-CG1 4.03Å; Y28-I44 HydrophobicContact CE1-CG2 4.34Å; Y28-I44 HydrophobicContact CE2-CD1 4.11Å; Y28-I44 HydrophobicContact CG-CD1 3.65Å; Y28-I44 HydrophobicContact CG-CG1 4.41Å; Y28-F51 HydrophobicContact CE2-CD2 4.46Å; Y28-L55 HydrophobicContact CD2-CD1 4.28Å; Y28-L55 HydrophobicContact CE2-CD1 3.77Å; Y28-L65 HydrophobicContact CD2-CD2 4.48Å
29A93.9Very high91.1Very high0 Ų058.7 Ų58.70%030%0.296CS..Hα-helixtrans-62.6-47.3177.800000112L25 L26 N31 I32 I33 M68 L88 R92L25-A29 PolarHBondContact O-N 2.85Å; L26-A29 PolarHBondContact O-N 2.88Å; A29-N31 VanDerWaalsContact C-N 3.32Å; A29-N31 PolarHBondContact O-N 2.59Å; A29-I32 PolarHBondContact O-N 3.37Å; A29-I33 VanDerWaalsContact O-CG1 3.29Å; A29-I33 WeakPolarHBondContact O-CG1 3.43Å; A29-I33 PolarHBondContact O-N 3.45Å; A29-M68 HydrophobicContact CB-CE 4.39Å; A29-M68 HydrophobicContact CB-SD 4.18Å; A29-L88 HydrophobicContact CB-CD2 4.28Å; A29-L88 HydrophobicContact CB-CG 4.36Å; A29-R92 HydrophobicContact CB-CB 3.89Å; A29-R92 HydrophobicContact CB-CG 3.71Å
30D94.3Very high90.9Very high50 Ų5062.5 Ų62.527%0.26731%0.31SS..Hα-helixtrans-65.3-34.3-178.1-71.5-16000111.9L26 I33 R34 R92L26-D30 WeakPolarHBondContact O-CB 3.38Å; L26-D30 PolarHBondContact O-N 3.12Å; D30-I33 PolarHBondContact O-N 2.89Å; D30-R34 VanDerWaalsContact O-CB 3.31Å; D30-R34 WeakPolarHBondContact O-CB 3.32Å; D30-R34 VanDerWaalsContact O-CG 3.23Å; D30-R34 WeakPolarHBondContact O-CG 3.44Å; D30-R34 PolarHBondContact O-N 2.92Å; D30-R92 IonicContact OD1-CZ 3.83Å; D30-R92 IonicContact OD1-NE 2.71Å; D30-R92 PolarHBondContact OD1-NE 3.2Å; D30-R92 IonicContact OD1-NH2 3.5Å; D30-R92 PolarHBondContact OD1-NH2 2.87Å; D30-R92 IonicContact OD2-NH2 3.58Å
31N93.6Very high90.8Very high41 Ų4160.9 Ų60.922%0.21930%0.297CS..Hα-helixtrans-65.5-40.3175.4-75.8-22.5000112.3T27 Y28 A29 C35 Y41T27-N31 VanDerWaalsContact O-CB 3.32Å; T27-N31 WeakPolarHBondContact O-CB 3.47Å; T27-N31 PolarHBondContact O-N 2.96Å; T27-N31 PolarHBondContact O-ND2 2.88Å; T27-N31 VanDerWaalsContact O-ND2 3.12Å; Y28-N31 PolarHBondContact O-N 2.86Å; A29-N31 VanDerWaalsContact C-N 3.32Å; A29-N31 PolarHBondContact O-N 2.59Å; N31-C35 PolarHBondContact O-N 2.85Å; N31-Y41 HydrophobicContact CB-CD1 3.87Å; N31-Y41 HydrophobicContact CB-CD2 4.46Å; N31-Y41 HydrophobicContact CB-CE1 4.42Å; N31-Y41 HydrophobicContact CB-CG 3.9Å
32I92.6Very high90.7Very high1 Ų162 Ų621%0.00530%0.301CS..Hα-helixtrans-69.7-41.5175.6-66.1173.1000110.8Y28 A29 R34 C35 P36 Y41 R42 F70 F79 L88Y28-I32 PolarHBondContact O-N 2.87Å; A29-I32 PolarHBondContact O-N 3.37Å; I32-R34 VanDerWaalsContact C-N 3.34Å; I32-R34 PolarHBondContact O-N 2.78Å; I32-C35 CarbonylContact O-C 3.54Å; I32-C35 PolarHBondContact O-N 3.41Å; I32-P36 WeakPolarHBondContact O-CA 3.46Å; I32-P36 VanDerWaalsContact O-N 3.12Å; I32-Y41 WeakPolarHBondContact CD1-O 3.31Å; I32-Y41 WeakPolarHBondContact CG1-O 3.45Å; I32-R42 HydrophobicContact CG1-CG 4.5Å; I32-F70 HydrophobicContact CD1-CE1 4.01Å; I32-F70 HydrophobicContact CD1-CE2 3.97Å; I32-F70 HydrophobicContact CD1-CZ 3.32Å; I32-F79 HydrophobicContact CD1-CB 3.84Å; I32-F79 HydrophobicContact CD1-CD1 4.08Å; I32-F79 HydrophobicContact CD1-CG 3.89Å; I32-F79 HydrophobicContact CG2-CD1 3.8Å; I32-F79 HydrophobicContact CG2-CE1 3.87Å; I32-L88 HydrophobicContact CB-CD2 4.5Å; I32-L88 HydrophobicContact CD1-CD1 4.26Å; I32-L88 HydrophobicContact CG2-CD1 4.5Å; I32-L88 HydrophobicContact CG2-CD2 4.37Å
33I91.7Very high90.5Very high53 Ų5364.1 Ų64.127%0.27232%0.316SS..Hα-helixtrans-63.2-41.3178.5-68164.4000111.1A29 D30 L88 K89 R92A29-I33 VanDerWaalsContact O-CG1 3.29Å; A29-I33 WeakPolarHBondContact O-CG1 3.43Å; A29-I33 PolarHBondContact O-N 3.45Å; D30-I33 PolarHBondContact O-N 2.89Å; I33-L88 HydrophobicContact CD1-CD2 3.78Å; I33-L88 HydrophobicContact CG1-CD2 3.44Å; I33-L88 VanDerWaalsContact CG1-CD2 3.44Å; I33-K89 HydrophobicContact CD1-CG 3.87Å; I33-K89 HydrophobicContact CG1-CG 4.26Å; I33-R92 HydrophobicContact CD1-CG 4.41Å
34R90.5Very high90.2Very high195 Ų19558 Ų5874%0.73629%0.289SS*.Hα-helixtrans-76.7-32.6-178.7-72.7173.960.7-162.6-2.9113.3D30 I32D30-R34 VanDerWaalsContact O-CB 3.31Å; D30-R34 WeakPolarHBondContact O-CB 3.32Å; D30-R34 VanDerWaalsContact O-CG 3.23Å; D30-R34 WeakPolarHBondContact O-CG 3.44Å; D30-R34 PolarHBondContact O-N 2.92Å; I32-R34 VanDerWaalsContact C-N 3.34Å; I32-R34 PolarHBondContact O-N 2.78Å
35C88.6Confident89.8Confident49 Ų4964.2 Ų64.233%0.33131%0.31SS..  trans-133.166.1-175.5-62.40000110.8N31 I32 T37 E38 Y41N31-C35 PolarHBondContact O-N 2.85Å; I32-C35 CarbonylContact O-C 3.54Å; I32-C35 PolarHBondContact O-N 3.41Å; C35-T37 VanDerWaalsContact C-N 3.27Å; C35-T37 PolarHBondContact O-N 3.49Å; C35-E38 HydrophobicContact CB-CB 4Å; C35-E38 PolarHBondContact O-N 3.34Å; C35-Y41 HydrophobicContact CB-CD2 3.62Å; C35-Y41 HydrophobicContact CB-CE2 3.75Å
36P84.2Confident89.1Confident57 Ų5766.1 Ų66.137%0.3732%0.32SS..THydrogen-bonded Turntrans-66.3-25.3-16925-34.7000113.9I32 R42I32-P36 WeakPolarHBondContact O-CA 3.46Å; I32-P36 VanDerWaalsContact O-N 3.12Å; P36-R42 PolarHBondContact O-NH1 2.84Å
37T80.1Confident87.7Confident131 Ų13168.3 Ų68.380%0.80434%0.344SS*.THydrogen-bonded Turntrans-90.3-6.4-179.556.50000113.5C35 E39C35-T37 VanDerWaalsContact C-N 3.27Å; C35-T37 PolarHBondContact O-N 3.49Å; T37-E39 PolarHBondContact O-N 2.79Å
38E87.5Confident87.1Confident80 Ų8068.3 Ų68.337%0.37434%0.341SS..  trans-87.3111.4-174.7-176.182-17500110.9C35 K40 Y41C35-E38 HydrophobicContact CB-CB 4Å; C35-E38 PolarHBondContact O-N 3.34Å; E38-K40 VanDerWaalsContact C-N 3.29Å; E38-K40 HydrophobicContact CG-CD 4.03Å; E38-K40 HydrophobicContact CG-CG 3.78Å; E38-K40 PolarHBondContact O-N 3.02Å; E38-K40 WeakPolarHBondContact OE1-CD 3.45Å; E38-K40 VanDerWaalsContact OE1-CE 3.3Å; E38-K40 WeakPolarHBondContact OE1-CE 2.93Å; E38-K40 IonicContact OE1-NZ 3.24Å; E38-K40 PolarHBondContact OE1-NZ 3.27Å; E38-Y41 HydrophobicContact CB-CD2 3.81Å; E38-Y41 HydrophobicContact CB-CE2 4.27Å; E38-Y41 HydrophobicContact CG-CD2 3.7Å; E38-Y41 HydrophobicContact CG-CE2 3.88Å; E38-Y41 PolarHBondContact O-N 2.84Å
39E82.7Confident86Confident144 Ų14470.8 Ų70.867%0.67336%0.362SS*.G310 helixtrans-60.2-33.5-174-66.1-172.1160.700114T37 Y41 R42 S43T37-E39 PolarHBondContact O-N 2.79Å; E39-Y41 PolarHBondContact O-N 2.89Å; E39-R42 PolarHBondContact O-N 2.78Å; E39-S43 PolarHBondContact O-N 2.87Å
40K86.5Confident85.1Confident124 Ų12473.7 Ų73.754%0.53938%0.38SS..G310 helixtrans-63.4-25.2-177.883.8-165.6173.1-141.90113.7E38E38-K40 VanDerWaalsContact C-N 3.29Å; E38-K40 HydrophobicContact CG-CD 4.03Å; E38-K40 HydrophobicContact CG-CG 3.78Å; E38-K40 PolarHBondContact O-N 3.02Å; E38-K40 WeakPolarHBondContact OE1-CD 3.45Å; E38-K40 VanDerWaalsContact OE1-CE 3.3Å; E38-K40 WeakPolarHBondContact OE1-CE 2.93Å; E38-K40 IonicContact OE1-NZ 3.24Å; E38-K40 PolarHBondContact OE1-NZ 3.27Å
41Y89.2Confident84.5Confident75 Ų7571.4 Ų71.429%0.29437%0.368SS..G310 helixtrans-90.5-16.7177.8-60.7-47.6000112.5N31 I32 C35 E38 E39 S43N31-Y41 HydrophobicContact CB-CD1 3.87Å; N31-Y41 HydrophobicContact CB-CD2 4.46Å; N31-Y41 HydrophobicContact CB-CE1 4.42Å; N31-Y41 HydrophobicContact CB-CG 3.9Å; I32-Y41 WeakPolarHBondContact CD1-O 3.31Å; I32-Y41 WeakPolarHBondContact CG1-O 3.45Å; C35-Y41 HydrophobicContact CB-CD2 3.62Å; C35-Y41 HydrophobicContact CB-CE2 3.75Å; E38-Y41 HydrophobicContact CB-CD2 3.81Å; E38-Y41 HydrophobicContact CB-CE2 4.27Å; E38-Y41 HydrophobicContact CG-CD2 3.7Å; E38-Y41 HydrophobicContact CG-CE2 3.88Å; E38-Y41 PolarHBondContact O-N 2.84Å; E39-Y41 PolarHBondContact O-N 2.89Å; Y41-S43 VanDerWaalsContact C-N 3.28Å
42R91.3Very high83.5Confident26 Ų2671.1 Ų71.110%0.09837%0.369CS..SBendtrans-897.4175.6-56.8-175.480.5118.55.3112.4I32 P36 E39 V78 F79 P80I32-R42 HydrophobicContact CG1-CG 4.5Å; P36-R42 PolarHBondContact O-NH1 2.84Å; E39-R42 PolarHBondContact O-N 2.78Å; R42-V78 CarbonylContact O-C 3.4Å; R42-V78 VanDerWaalsContact O-CA 3.29Å; R42-V78 WeakPolarHBondContact O-CA 3.35Å; R42-F79 HydrophobicContact CB-CB 4.18Å; R42-F79 PolarHBondContact NE-O 3.49Å; R42-F79 VanDerWaalsContact NH2-CE1 3.3Å; R42-F79 PolarHBondContact NH2-O 2.98Å; R42-F79 PolarHBondContact O-N 3.32Å; R42-P80 VanDerWaalsContact NH2-C 3.33Å; R42-P80 PolarHBondContact NH2-O 3.39Å
43S89.4Confident82.7Confident45 Ų4575.5 Ų75.532%0.31540%0.395SS..EExtended strand (participates in β ladder)trans-136.8127.5179.5-176.30000110.6E39 Y41 H76 L77E39-S43 PolarHBondContact O-N 2.87Å; Y41-S43 VanDerWaalsContact C-N 3.28Å; S43-H76 PolarHBondContact OG-CD2 3.28Å; S43-L77 CarbonylContact C-O 3.57Å; S43-L77 WeakPolarHBondContact CA-O 3.13Å
44I87.9Confident82.1Confident7 Ų778.5 Ų78.54%0.03641%0.406CS..EExtended strand (participates in β ladder)trans-117.2112.9177.4-55.6171.4000107.6Y28 I46 F51 L65 F70 H76 L77Y28-I44 HydrophobicContact CD1-CD1 3.75Å; Y28-I44 HydrophobicContact CD1-CG1 3.99Å; Y28-I44 HydrophobicContact CD2-CD1 3.83Å; Y28-I44 HydrophobicContact CE1-CD1 4.04Å; Y28-I44 HydrophobicContact CE1-CG1 4.03Å; Y28-I44 HydrophobicContact CE1-CG2 4.34Å; Y28-I44 HydrophobicContact CE2-CD1 4.11Å; Y28-I44 HydrophobicContact CG-CD1 3.65Å; Y28-I44 HydrophobicContact CG-CG1 4.41Å; I44-I46 PolarHBondContact O-N 3.45Å; I44-F51 HydrophobicContact CG2-CB 4.38Å; I44-F51 HydrophobicContact CG2-CD2 3.45Å; I44-F51 VanDerWaalsContact CG2-CD2 3.45Å; I44-F51 HydrophobicContact CG2-CE2 3.86Å; I44-F51 HydrophobicContact CG2-CG 3.95Å; I44-L65 HydrophobicContact CD1-CD1 4.37Å; I44-L65 HydrophobicContact CD1-CD2 4.28Å; I44-F70 HydrophobicContact CD1-CD1 4.17Å; I44-F70 HydrophobicContact CD1-CE1 3.51Å; I44-F70 HydrophobicContact CD1-CZ 3.81Å; I44-F70 HydrophobicContact CG1-CE1 3.93Å; I44-H76 CarbonylContact O-C 3.56Å; I44-H76 VanDerWaalsContact O-CA 3.23Å; I44-H76 WeakPolarHBondContact O-CA 3.47Å; I44-L77 HydrophobicContact CB-CB 4.34Å; I44-L77 PolarHBondContact N-O 3.04Å; I44-L77 PolarHBondContact O-N 3.5Å
45R83.8Confident81.6Confident163 Ų16369.2 Ų69.262%0.61537%0.371SS*.EExtended strand (participates in β ladder)trans-70.3122.6176.9-172.2175178.2-172.9-0.2110.3G47 N48 H76R45-G47 VanDerWaalsContact C-N 3.3Å; R45-G47 PolarHBondContact O-N 2.84Å; R45-N48 WeakPolarHBondContact O-CB 3.49Å; R45-N48 PolarHBondContact O-N 3.41Å; R45-H76 VanDerWaalsContact CA-CD2 3.46Å; R45-H76 WeakPolarHBondContact CA-CD2 3.43Å
46I80.1Confident80.9Confident40 Ų4068.5 Ų68.521%0.20536%0.364CS..THydrogen-bonded Turntrans-64.1-38.2-175.8-63170.1000110.9I44 N48 F51 T75 L77I44-I46 PolarHBondContact O-N 3.45Å; I46-N48 PolarHBondContact O-N 3.2Å; I46-N48 VanDerWaalsContact O-N 3.14Å; I46-F51 HydrophobicContact CG1-CE1 4.43Å; I46-F51 HydrophobicContact CG2-CE1 4.3Å; I46-T75 PolarHBondContact N-O 3.04Å; I46-L77 HydrophobicContact CG1-CG 4.39Å
47G67.9Low80.7Confident49 Ų4969.3 Ų69.351%0.50537%0.369SS..THydrogen-bonded Turntrans-72.44.6174.200000115.3R45R45-G47 VanDerWaalsContact C-N 3.3Å; R45-G47 PolarHBondContact O-N 2.84Å
48N80.3Confident81.1Confident64 Ų6464.7 Ų64.734%0.34234%0.34SS..  trans-65128173.3-178.7-70.4000109.3R45 I46 T50 F51 S52R45-N48 WeakPolarHBondContact O-CB 3.49Å; R45-N48 PolarHBondContact O-N 3.41Å; I46-N48 PolarHBondContact O-N 3.2Å; I46-N48 VanDerWaalsContact O-N 3.14Å; N48-T50 VanDerWaalsContact C-N 3.27Å; N48-T50 PolarHBondContact O-N 2.93Å; N48-T50 WeakPolarHBondContact OD1-CA 3.15Å; N48-T50 VanDerWaalsContact OD1-CB 3.24Å; N48-T50 WeakPolarHBondContact OD1-CB 3.47Å; N48-T50 PolarHBondContact OD1-N 3.45Å; N48-F51 HydrophobicContact CB-CB 4.05Å; N48-F51 PolarHBondContact O-N 3.02Å; N48-F51 VanDerWaalsContact O-N 3.09Å; N48-F51 PolarHBondContact OD1-N 3.11Å; N48-S52 WeakPolarHBondContact O-CB 3.34Å; N48-S52 PolarHBondContact O-N 3.21Å; N48-S52 PolarHBondContact O-OG 2.98Å
49P69.9Low80.9Confident93 Ų9366.3 Ų66.360%0.60435%0.345SS*.Hα-helixtrans-56.7-37.8-177.5-28.235.5000113.6S52 T53P49-S52 WeakPolarHBondContact CA-OG 3.23Å; P49-S52 PolarHBondContact O-OG 3.07Å; P49-T53 WeakPolarHBondContact O-CB 3.36Å; P49-T53 WeakPolarHBondContact O-CG2 3.42Å; P49-T53 PolarHBondContact O-N 3.39Å; P49-T53 PolarHBondContact O-OG1 2.87Å
50T74.6Confident81.1Confident60 Ų6059.4 Ų59.437%0.36831%0.313SS..Hα-helixtrans-67.6-41178.4-53.30000111.3L24 N48 K54L24-T50 HydrophobicContact CD1-CG2 4.09Å; L24-T50 HydrophobicContact CD2-CG2 3.83Å; N48-T50 VanDerWaalsContact C-N 3.27Å; N48-T50 PolarHBondContact O-N 2.93Å; N48-T50 WeakPolarHBondContact OD1-CA 3.15Å; N48-T50 VanDerWaalsContact OD1-CB 3.24Å; N48-T50 WeakPolarHBondContact OD1-CB 3.47Å; N48-T50 PolarHBondContact OD1-N 3.45Å; T50-K54 HydrophobicContact CG2-CD 4.42Å; T50-K54 VanDerWaalsContact O-CB 3.24Å; T50-K54 WeakPolarHBondContact O-CB 3.35Å; T50-K54 PolarHBondContact O-N 2.85Å
51F81.5Confident81.2Confident3 Ų353.5 Ų53.51%0.01329%0.288CS..Hα-helixtrans-69.3-53.1178.1-177.3-93.1000111.7Y28 I44 I46 N48 T53 L55 L56 V62 L65 L77Y28-F51 HydrophobicContact CE2-CD2 4.46Å; I44-F51 HydrophobicContact CG2-CB 4.38Å; I44-F51 HydrophobicContact CG2-CD2 3.45Å; I44-F51 VanDerWaalsContact CG2-CD2 3.45Å; I44-F51 HydrophobicContact CG2-CE2 3.86Å; I44-F51 HydrophobicContact CG2-CG 3.95Å; I46-F51 HydrophobicContact CG1-CE1 4.43Å; I46-F51 HydrophobicContact CG2-CE1 4.3Å; N48-F51 HydrophobicContact CB-CB 4.05Å; N48-F51 PolarHBondContact O-N 3.02Å; N48-F51 VanDerWaalsContact O-N 3.09Å; N48-F51 PolarHBondContact OD1-N 3.11Å; F51-T53 PolarHBondContact O-N 3.17Å; F51-L55 HydrophobicContact CD2-CB 4.25Å; F51-L55 HydrophobicContact CD2-CD1 4.44Å; F51-L55 HydrophobicContact CD2-CD2 4.43Å; F51-L55 HydrophobicContact CE2-CD2 3.94Å; F51-L55 WeakPolarHBondContact O-CB 3.48Å; F51-L55 PolarHBondContact O-N 3.04Å; F51-L56 HydrophobicContact CE1-CB 4.44Å; F51-L56 HydrophobicContact CE1-CD1 4.37Å; F51-L56 PolarHBondContact O-N 2.8Å; F51-V62 HydrophobicContact CZ-CG2 4.48Å; F51-L65 HydrophobicContact CE2-CD1 3.66Å; F51-L65 HydrophobicContact CZ-CD1 4.26Å; F51-L77 HydrophobicContact CE1-CD1 4.46Å; F51-L77 HydrophobicContact CE2-CD1 3.98Å; F51-L77 HydrophobicContact CZ-CD1 3.51Å; F51-L77 HydrophobicContact CZ-CG 4.47Å
52S72.9Confident81.1Confident35 Ų3551 Ų5125%0.24528%0.28CS..Hα-helixtrans-65.6-33-175.553.40000114.1N48 P49N48-S52 WeakPolarHBondContact O-CB 3.34Å; N48-S52 PolarHBondContact O-N 3.21Å; N48-S52 PolarHBondContact O-OG 2.98Å; P49-S52 WeakPolarHBondContact CA-OG 3.23Å; P49-S52 PolarHBondContact O-OG 3.07Å
53T76.3Confident81Confident92 Ų9254.1 Ų54.156%0.56430%0.295SS*.Hα-helixtrans-95-29.1-178.363.80000113.9P49 F51 P57P49-T53 WeakPolarHBondContact O-CB 3.36Å; P49-T53 WeakPolarHBondContact O-CG2 3.42Å; P49-T53 PolarHBondContact O-N 3.39Å; P49-T53 PolarHBondContact O-OG1 2.87Å; F51-T53 PolarHBondContact O-N 3.17Å; T53-P57 VanDerWaalsContact O-CG 3.31Å; T53-P57 WeakPolarHBondContact O-CG 3.3Å
54K79.6Confident81.1Confident116 Ų11652 Ų5250%0.50428%0.28SS..Hα-helixtrans-108.7-24.9-172.7-55.2-164.9172.5-163.50114.8V21 L24 T50 I58V21-K54 WeakPolarHBondContact CG2-O 3.29Å; L24-K54 HydrophobicContact CD1-CB 3.83Å; L24-K54 HydrophobicContact CD1-CD 4.37Å; T50-K54 HydrophobicContact CG2-CD 4.42Å; T50-K54 VanDerWaalsContact O-CB 3.24Å; T50-K54 WeakPolarHBondContact O-CB 3.35Å; T50-K54 PolarHBondContact O-N 2.85Å; K54-I58 VanDerWaalsContact O-CG1 3.31Å; K54-I58 WeakPolarHBondContact O-CG1 3.38Å
55L80.5Confident81.3Confident0 Ų051.6 Ų51.60%028%0.279CS..THydrogen-bonded Turntrans-112.3-46.6-172.5-150.5149.2000111.4V21 L24 L25 Y28 F51 P57 I58 A61 V62 L65V21-L55 HydrophobicContact CG1-CG 4.35Å; L24-L55 HydrophobicContact CB-CD1 3.78Å; L24-L55 HydrophobicContact CD1-CD1 4.37Å; L25-L55 HydrophobicContact CD2-CD1 3.99Å; L25-L55 HydrophobicContact CD2-CD2 4.04Å; L25-L55 HydrophobicContact CD2-CG 4.39Å; L25-L55 HydrophobicContact CG-CD1 4.23Å; Y28-L55 HydrophobicContact CD2-CD1 4.28Å; Y28-L55 HydrophobicContact CE2-CD1 3.77Å; F51-L55 HydrophobicContact CD2-CB 4.25Å; F51-L55 HydrophobicContact CD2-CD1 4.44Å; F51-L55 HydrophobicContact CD2-CD2 4.43Å; F51-L55 HydrophobicContact CE2-CD2 3.94Å; F51-L55 WeakPolarHBondContact O-CB 3.48Å; F51-L55 PolarHBondContact O-N 3.04Å; L55-P57 VanDerWaalsContact C-CD 3.45Å; L55-I58 PolarHBondContact O-N 2.83Å; L55-A61 HydrophobicContact CD2-CB 3.74Å; L55-A61 HydrophobicContact CG-CB 4.13Å; L55-A61 WeakPolarHBondContact O-CB 3.4Å; L55-V62 HydrophobicContact CD2-CG2 4.27Å; L55-L65 HydrophobicContact CD2-CD1 3.84Å
56L73Confident81.6Confident34 Ų3448.1 Ų48.118%0.17827%0.268CS..THydrogen-bonded Turntrans-58.8-38.2-179.8-168.960.5000115.8F51 I58 V62 L144 M148F51-L56 HydrophobicContact CE1-CB 4.44Å; F51-L56 HydrophobicContact CE1-CD1 4.37Å; F51-L56 PolarHBondContact O-N 2.8Å; L56-I58 VanDerWaalsContact C-N 3.28Å; L56-I58 PolarHBondContact O-N 2.81Å; L56-V62 HydrophobicContact CD1-CG2 3.84Å; L56-L144 HydrophobicContact CB-CD2 4.37Å; L56-L144 HydrophobicContact CD2-CD2 3.39Å; L56-L144 HydrophobicContact CD2-CG 3.85Å; L56-L144 HydrophobicContact CG-CD2 3.74Å; L56-L144 HydrophobicContact CG-CG 4.25Å; L56-M148 HydrophobicContact CD1-SD 4.4Å
57P80.6Confident82.1Confident74 Ų7448.6 Ų48.648%0.48127%0.27SS..THydrogen-bonded Turntrans-82.6-3.2-178.930.9-31.2000113.7T53 L55T53-P57 VanDerWaalsContact O-CG 3.31Å; T53-P57 WeakPolarHBondContact O-CG 3.3Å; L55-P57 VanDerWaalsContact C-CD 3.45Å
58I88.3Confident83.2Confident35 Ų3546.3 Ų46.318%0.17925%0.246CC..SBendtrans-97.4123.7-172.7-52.8-52.6000110.2L10 N13 V17 V21 K54 L55 L56 G60 A61L10-I58 HydrophobicContact CD1-CG2 4.38Å; N13-I58 HydrophobicContact CB-CG2 4.46Å; N13-I58 WeakPolarHBondContact OD1-CG2 3.38Å; V17-I58 HydrophobicContact CG1-CD1 3.67Å; V17-I58 HydrophobicContact CG1-CG1 4.11Å; V17-I58 HydrophobicContact CG1-CG2 3.74Å; V21-I58 HydrophobicContact CG2-CB 3.93Å; V21-I58 HydrophobicContact CG2-CG1 3.65Å; V21-I58 HydrophobicContact CG2-CG2 3.89Å; K54-I58 VanDerWaalsContact O-CG1 3.31Å; K54-I58 WeakPolarHBondContact O-CG1 3.38Å; L55-I58 PolarHBondContact O-N 2.83Å; L56-I58 VanDerWaalsContact C-N 3.28Å; L56-I58 PolarHBondContact O-N 2.81Å; I58-G60 PolarHBondContact O-N 2.89Å; I58-A61 HydrophobicContact CB-CB 4.12Å; I58-A61 HydrophobicContact CG2-CB 4.49Å; I58-A61 VanDerWaalsContact O-CB 3.28Å; I58-A61 WeakPolarHBondContact O-CB 3.33Å; I58-A61 PolarHBondContact O-N 3.26Å; I58-A61 VanDerWaalsContact O-N 3.13Å
59K83.7Confident83.6Confident113 Ų11344.2 Ų44.249%0.49124%0.239SC..THydrogen-bonded Turntrans-56.4126-177-165.8-161.2178-1640110.3T9 D12 N13 A61T9-K59 HydrophobicContact CG2-CD 3.82Å; T9-K59 HydrophobicContact CG2-CG 3.63Å; D12-K59 IonicContact OD2-NZ 3.34Å; D12-K59 PolarHBondContact OD2-NZ 2.75Å; N13-K59 PolarHBondContact ND2-O 2.83Å; K59-A61 VanDerWaalsContact C-N 3.31Å; K59-A61 PolarHBondContact O-N 3.23Å
60G85.8Confident84.6Confident0 Ų040 Ų400%021%0.211CC..THydrogen-bonded Turntrans85.4-9.817800000115.2I58 E63 C64I58-G60 PolarHBondContact O-N 2.89Å; G60-E63 WeakPolarHBondContact CA-OE2 3.41Å; G60-E63 PolarHBondContact N-OE2 3.34Å; G60-E63 VanDerWaalsContact N-OE2 3.16Å; G60-C64 PolarHBondContact O-N 2.8Å; G60-C64 VanDerWaalsContact O-N 3.07Å; G60-C64 PolarHBondContact O-SG 3.07Å
61A88.8Confident85.1Confident0 Ų042.7 Ų42.70%022%0.22CC..Hα-helixtrans-73.9-40.5-174.300000113.2L10 V21 L25 L55 I58 K59 E63L10-A61 HydrophobicContact CD1-CB 4.08Å; V21-A61 HydrophobicContact CG1-CB 3.63Å; L25-A61 WeakPolarHBondContact CD2-O 3.38Å; L55-A61 HydrophobicContact CD2-CB 3.74Å; L55-A61 HydrophobicContact CG-CB 4.13Å; L55-A61 WeakPolarHBondContact O-CB 3.4Å; I58-A61 HydrophobicContact CB-CB 4.12Å; I58-A61 HydrophobicContact CG2-CB 4.49Å; I58-A61 VanDerWaalsContact O-CB 3.28Å; I58-A61 WeakPolarHBondContact O-CB 3.33Å; I58-A61 PolarHBondContact O-N 3.26Å; I58-A61 VanDerWaalsContact O-N 3.13Å; K59-A61 VanDerWaalsContact C-N 3.31Å; K59-A61 PolarHBondContact O-N 3.23Å; A61-E63 PolarHBondContact N-OE2 3.14Å
62V87.8Confident85Confident22 Ų2248.1 Ų48.113%0.13325%0.245CC..Hα-helixtrans-78.9-35.4178.5-179.50000110.6F51 L55 L56 C64 L65 F66F51-V62 HydrophobicContact CZ-CG2 4.48Å; L55-V62 HydrophobicContact CD2-CG2 4.27Å; L56-V62 HydrophobicContact CD1-CG2 3.84Å; V62-C64 PolarHBondContact O-N 3.13Å; V62-L65 WeakPolarHBondContact O-CA 3.5Å; V62-L65 WeakPolarHBondContact O-CB 3.34Å; V62-L65 PolarHBondContact O-N 3.34Å; V62-F66 HydrophobicContact CG1-CD2 4.06Å; V62-F66 HydrophobicContact CG1-CE2 3.59Å; V62-F66 HydrophobicContact CG1-CZ 4.16Å; V62-F66 PolarHBondContact O-N 2.73Å
63E88.1Confident84.8Confident91 Ų9148.4 Ų48.443%0.42525%0.25SC..Hα-helixtrans-58.9-37.1172.7-60.988158.800111A6 G60 A61 L65 F66 E67A6-E63 VanDerWaalsContact CB-C 3.46Å; A6-E63 HydrophobicContact CB-CB 3.57Å; G60-E63 WeakPolarHBondContact CA-OE2 3.41Å; G60-E63 PolarHBondContact N-OE2 3.34Å; G60-E63 VanDerWaalsContact N-OE2 3.16Å; A61-E63 PolarHBondContact N-OE2 3.14Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 3.27Å; E63-F66 PolarHBondContact O-N 2.83Å; E63-E67 WeakPolarHBondContact O-CB 3.49Å; E63-E67 WeakPolarHBondContact O-CG 3.4Å; E63-E67 PolarHBondContact O-N 3.3Å
64C91.3Very high84.1Confident0 Ų053.4 Ų53.40%027%0.267CS..Hα-helixtrans-61.9-36171.5-77.70000112.6A6 L25 G60 V62 M68 I95A6-C64 HydrophobicContact CB-CB 4.46Å; L25-C64 HydrophobicContact CD1-CB 4.05Å; L25-C64 HydrophobicContact CD2-CB 4.48Å; G60-C64 PolarHBondContact O-N 2.8Å; G60-C64 VanDerWaalsContact O-N 3.07Å; G60-C64 PolarHBondContact O-SG 3.07Å; V62-C64 PolarHBondContact O-N 3.13Å; C64-M68 WeakPolarHBondContact O-CB 3.27Å; C64-M68 WeakPolarHBondContact O-CG 3.13Å; C64-M68 PolarHBondContact O-N 2.89Å; C64-I95 HydrophobicContact CB-CD1 4.21Å
65L93Very high83.9Confident0 Ų051.8 Ų51.80%027%0.267CS..Hα-helixtrans-69.8-40.1176.2-67.3170.2000111.5L25 Y28 I44 F51 L55 V62 E63 M68 G69 F70 L77L25-L65 HydrophobicContact CD2-CD1 4.23Å; L25-L65 HydrophobicContact CD2-CD2 3.67Å; L25-L65 HydrophobicContact CD2-CG 3.66Å; Y28-L65 HydrophobicContact CD2-CD2 4.48Å; I44-L65 HydrophobicContact CD1-CD1 4.37Å; I44-L65 HydrophobicContact CD1-CD2 4.28Å; F51-L65 HydrophobicContact CE2-CD1 3.66Å; F51-L65 HydrophobicContact CZ-CD1 4.26Å; L55-L65 HydrophobicContact CD2-CD1 3.84Å; V62-L65 WeakPolarHBondContact O-CA 3.5Å; V62-L65 WeakPolarHBondContact O-CB 3.34Å; V62-L65 PolarHBondContact O-N 3.34Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 3.27Å; L65-M68 HydrophobicContact CD2-SD 4.16Å; L65-M68 WeakPolarHBondContact O-CB 3.4Å; L65-M68 PolarHBondContact O-N 3.47Å; L65-G69 PolarHBondContact O-N 2.93Å; L65-F70 HydrophobicContact CB-CB 4.34Å; L65-F70 HydrophobicContact CB-CD2 4.13Å; L65-F70 HydrophobicContact CB-CG 4.35Å; L65-F70 HydrophobicContact CD2-CD2 4.01Å; L65-F70 HydrophobicContact CD2-CE2 3.85Å; L65-F70 HydrophobicContact CD2-CZ 4.35Å; L65-F70 WeakPolarHBondContact O-CB 3.3Å; L65-F70 VanDerWaalsContact O-CD2 3.32Å; L65-F70 WeakPolarHBondContact O-CD2 3.3Å; L65-F70 PolarHBondContact O-N 3.31Å; L65-L77 HydrophobicContact CD1-CD1 3.87Å
66F90.3Very high84.2Confident90 Ų9054.4 Ų54.440%0.39528%0.279SS..Hα-helixtrans-65.3-43.6174.3-68.3-50000112V62 E63 M68 G69 F70 L77V62-F66 HydrophobicContact CG1-CD2 4.06Å; V62-F66 HydrophobicContact CG1-CE2 3.59Å; V62-F66 HydrophobicContact CG1-CZ 4.16Å; V62-F66 PolarHBondContact O-N 2.73Å; E63-F66 PolarHBondContact O-N 2.83Å; F66-M68 VanDerWaalsContact C-N 3.26Å; F66-M68 PolarHBondContact O-N 2.68Å; F66-G69 WeakPolarHBondContact O-CA 3.38Å; F66-G69 PolarHBondContact O-N 3.14Å; F66-F70 VanDerWaalsContact CD1-O 3.32Å; F66-F70 WeakPolarHBondContact CD1-O 3.35Å; F66-L77 HydrophobicContact CE1-CD2 3.84Å; F66-L77 HydrophobicContact CZ-CD2 4.02Å
67E90.5Very high84.9Confident50 Ų5053.1 Ų53.123%0.23427%0.272CS..Hα-helixtrans-66.2-27.5174.8-75.3-173.6177.400113.1S4 A6 E63 Q87 I91S4-E67 WeakPolarHBondContact CB-OE2 3.5Å; S4-E67 PolarHBondContact OG-OE1 3.27Å; S4-E67 PolarHBondContact OG-OE2 3.27Å; A6-E67 HydrophobicContact CB-CG 4.02Å; A6-E67 WeakPolarHBondContact CB-OE1 3.33Å; A6-E67 WeakPolarHBondContact CB-OE2 3.45Å; A6-E67 PolarHBondContact N-OE1 2.61Å; E63-E67 WeakPolarHBondContact O-CB 3.49Å; E63-E67 WeakPolarHBondContact O-CG 3.4Å; E63-E67 PolarHBondContact O-N 3.3Å; E67-Q87 WeakPolarHBondContact O-CG 3.27Å; E67-Q87 PolarHBondContact O-NE2 3.17Å; E67-I91 HydrophobicContact CB-CD1 4.21Å; E67-I91 HydrophobicContact CB-CG1 4.16Å
68M91.2Very high85.4Confident0 Ų052.1 Ų52.10%027%0.265CS..Hα-helixtrans-68.2-23.1169.5-79.9174-168.900112.3L25 A29 C64 L65 F66 F70 F79 L88 I91 I95L25-M68 HydrophobicContact CB-CE 4.41Å; A29-M68 HydrophobicContact CB-CE 4.39Å; A29-M68 HydrophobicContact CB-SD 4.18Å; C64-M68 WeakPolarHBondContact O-CB 3.27Å; C64-M68 WeakPolarHBondContact O-CG 3.13Å; C64-M68 PolarHBondContact O-N 2.89Å; L65-M68 HydrophobicContact CD2-SD 4.16Å; L65-M68 WeakPolarHBondContact O-CB 3.4Å; L65-M68 PolarHBondContact O-N 3.47Å; F66-M68 VanDerWaalsContact C-N 3.26Å; F66-M68 PolarHBondContact O-N 2.68Å; M68-F70 HydrophobicContact CB-CD2 4.23Å; M68-F70 HydrophobicContact CB-CE2 4.47Å; M68-F79 WeakPolarHBondContact O-CE2 3.46Å; M68-L88 HydrophobicContact CB-CD1 4.11Å; M68-L88 HydrophobicContact CB-CG 4.45Å; M68-L88 WeakPolarHBondContact O-CB 3.31Å; M68-I91 HydrophobicContact CE-CB 4.47Å; M68-I91 HydrophobicContact CE-CG2 3.85Å; M68-I91 HydrophobicContact CG-CB 3.77Å; M68-I91 HydrophobicContact CG-CG1 4.46Å; M68-I91 HydrophobicContact CG-CG2 3.74Å; M68-I95 HydrophobicContact CE-CD1 3.43Å; M68-I95 VanDerWaalsContact CE-CD1 3.43Å
69G88.5Confident85.6Confident20 Ų2050.6 Ų50.621%0.20626%0.257CS..THydrogen-bonded Turntrans110.416.2178.700000115.2L65 F66 F79 P80L65-G69 PolarHBondContact O-N 2.93Å; F66-G69 WeakPolarHBondContact O-CA 3.38Å; F66-G69 PolarHBondContact O-N 3.14Å; G69-F79 WeakPolarHBondContact O-CD2 3.24Å; G69-P80 VanDerWaalsContact O-CD 3.31Å; G69-P80 WeakPolarHBondContact O-CD 3.22Å
70F90.7Very high85.8Confident5 Ų546.1 Ų46.12%0.02224%0.239CC..  trans-71.6151167.5-72.5-102.7000110.3I32 I44 L65 F66 M68 L77 V78 F79 L88I32-F70 HydrophobicContact CD1-CE1 4.01Å; I32-F70 HydrophobicContact CD1-CE2 3.97Å; I32-F70 HydrophobicContact CD1-CZ 3.32Å; I44-F70 HydrophobicContact CD1-CD1 4.17Å; I44-F70 HydrophobicContact CD1-CE1 3.51Å; I44-F70 HydrophobicContact CD1-CZ 3.81Å; I44-F70 HydrophobicContact CG1-CE1 3.93Å; L65-F70 HydrophobicContact CB-CB 4.34Å; L65-F70 HydrophobicContact CB-CD2 4.13Å; L65-F70 HydrophobicContact CB-CG 4.35Å; L65-F70 HydrophobicContact CD2-CD2 4.01Å; L65-F70 HydrophobicContact CD2-CE2 3.85Å; L65-F70 HydrophobicContact CD2-CZ 4.35Å; L65-F70 WeakPolarHBondContact O-CB 3.3Å; L65-F70 VanDerWaalsContact O-CD2 3.32Å; L65-F70 WeakPolarHBondContact O-CD2 3.3Å; L65-F70 PolarHBondContact O-N 3.31Å; F66-F70 VanDerWaalsContact CD1-O 3.32Å; F66-F70 WeakPolarHBondContact CD1-O 3.35Å; M68-F70 HydrophobicContact CB-CD2 4.23Å; M68-F70 HydrophobicContact CB-CE2 4.47Å; F70-L77 HydrophobicContact CB-CB 4.47Å; F70-L77 HydrophobicContact CD1-CB 4.17Å; F70-V78 CarbonylContact C-O 3.46Å; F70-V78 WeakPolarHBondContact CA-O 3.39Å; F70-F79 HydrophobicContact CD1-CB 3.9Å; F70-F79 AromaticContact CD2-CD2 4Å; F70-F79 HydrophobicContact CD2-CD2 4Å; F70-F79 HydrophobicContact CE1-CB 3.85Å; F70-F79 HydrophobicContact CE2-CD2 4.18Å; F70-F79 HydrophobicContact CG-CB 4.28Å; F70-F79 HydrophobicContact CG-CD2 4.31Å; F70-F79 HydrophobicContact CZ-CB 4.19Å; F70-L88 HydrophobicContact CE2-CD1 4.2Å
71E85.4Confident85.7Confident116 Ų11653.8 Ų53.854%0.54228%0.275SS..EExtended strand (participates in β ladder)trans-125.8154.1177.6-67.4-178.2-176.400110.1L77 V78 P80E71-L77 WeakPolarHBondContact O-CA 3.45Å; E71-V78 PolarHBondContact N-O 3.46Å; E71-V78 PolarHBondContact O-N 2.89Å; E71-P80 HydrophobicContact CB-CG 4.17Å; E71-P80 HydrophobicContact CG-CG 3.7Å; E71-P80 WeakPolarHBondContact OE1-CG 3.18Å; E71-P80 WeakPolarHBondContact OE2-CG 3.35Å
72E78.8Confident85.4Confident117 Ų11759 Ų5955%0.54731%0.312SS..EExtended strand (participates in β ladder)trans-82.6131.2-178.5-172.7179.4-175.400112
73A68.2Low85.2Confident42 Ų4259 Ų5935%0.34731%0.314SS..EExtended strand (participates in β ladder)trans-124.2161.916300000109.4T75 H76 V78A73-T75 PolarHBondContact O-N 3.33Å; A73-H76 CarbonylContact C-O 3Å; A73-H76 WeakPolarHBondContact CA-O 3.36Å; A73-H76 WeakPolarHBondContact CB-O 3.5Å; A73-H76 PolarHBondContact N-O 3.13Å; A73-H76 PolarHBondContact O-N 2.87Å; A73-V78 HydrophobicContact CB-CG2 4.12Å
74E63.2Low84.8Confident196 Ų19657.3 Ų57.392%0.91631%0.312SS*.THydrogen-bonded Turntrans-47.8-33.1-169.1-68-175.8164.100115.9
75T74.8Confident84.5Confident82 Ų8259.2 Ų59.250%0.50332%0.324SS..THydrogen-bonded Turntrans-132.12.1-178.451.70000114I46 A73I46-T75 PolarHBondContact N-O 3.04Å; A73-T75 PolarHBondContact O-N 3.33Å
76H85.8Confident84.2Confident56 Ų5665.4 Ų65.426%0.25935%0.353SS..EExtended strand (participates in β ladder)trans-144149.9-171.1-63.477.9000111.4S43 I44 R45 A73 V78S43-H76 PolarHBondContact OG-CD2 3.28Å; I44-H76 CarbonylContact O-C 3.56Å; I44-H76 VanDerWaalsContact O-CA 3.23Å; I44-H76 WeakPolarHBondContact O-CA 3.47Å; R45-H76 VanDerWaalsContact CA-CD2 3.46Å; R45-H76 WeakPolarHBondContact CA-CD2 3.43Å; A73-H76 CarbonylContact C-O 3Å; A73-H76 WeakPolarHBondContact CA-O 3.36Å; A73-H76 WeakPolarHBondContact CB-O 3.5Å; A73-H76 PolarHBondContact N-O 3.13Å; A73-H76 PolarHBondContact O-N 2.87Å; H76-V78 HydrophobicContact CB-CG2 4.12Å
77L88.3Confident84Confident6 Ų664.9 Ų64.93%0.03135%0.351CS..EExtended strand (participates in β ladder)trans-92.7122.6158.2-65.7177.7000108.3S43 I44 I46 F51 L65 F66 F70 E71S43-L77 CarbonylContact C-O 3.57Å; S43-L77 WeakPolarHBondContact CA-O 3.13Å; I44-L77 HydrophobicContact CB-CB 4.34Å; I44-L77 PolarHBondContact N-O 3.04Å; I44-L77 PolarHBondContact O-N 3.5Å; I46-L77 HydrophobicContact CG1-CG 4.39Å; F51-L77 HydrophobicContact CE1-CD1 4.46Å; F51-L77 HydrophobicContact CE2-CD1 3.98Å; F51-L77 HydrophobicContact CZ-CD1 3.51Å; F51-L77 HydrophobicContact CZ-CG 4.47Å; L65-L77 HydrophobicContact CD1-CD1 3.87Å; F66-L77 HydrophobicContact CE1-CD2 3.84Å; F66-L77 HydrophobicContact CZ-CD2 4.02Å; F70-L77 HydrophobicContact CB-CB 4.47Å; F70-L77 HydrophobicContact CD1-CB 4.17Å; E71-L77 WeakPolarHBondContact O-CA 3.45Å
78V91.3Very high84Confident54 Ų5462.5 Ų62.533%0.32734%0.34SS..EExtended strand (participates in β ladder)trans-113.6135-175.2-177.30000109.2R42 F70 E71 A73 H76 P80R42-V78 CarbonylContact O-C 3.4Å; R42-V78 VanDerWaalsContact O-CA 3.29Å; R42-V78 WeakPolarHBondContact O-CA 3.35Å; F70-V78 CarbonylContact C-O 3.46Å; F70-V78 WeakPolarHBondContact CA-O 3.39Å; E71-V78 PolarHBondContact N-O 3.46Å; E71-V78 PolarHBondContact O-N 2.89Å; A73-V78 HydrophobicContact CB-CG2 4.12Å; H76-V78 HydrophobicContact CB-CG2 4.12Å; V78-P80 VanDerWaalsContact O-CD 3.27Å; V78-P80 WeakPolarHBondContact O-CD 3.22Å
79F92.4Very high84.1Confident2 Ų267 Ų671%0.00936%0.36CS..  trans-93.999.5171.7-172.7-103.6000109I32 R42 M68 G69 F70 A83 L88I32-F79 HydrophobicContact CD1-CB 3.84Å; I32-F79 HydrophobicContact CD1-CD1 4.08Å; I32-F79 HydrophobicContact CD1-CG 3.89Å; I32-F79 HydrophobicContact CG2-CD1 3.8Å; I32-F79 HydrophobicContact CG2-CE1 3.87Å; R42-F79 HydrophobicContact CB-CB 4.18Å; R42-F79 PolarHBondContact NE-O 3.49Å; R42-F79 VanDerWaalsContact NH2-CE1 3.3Å; R42-F79 PolarHBondContact NH2-O 2.98Å; R42-F79 PolarHBondContact O-N 3.32Å; M68-F79 WeakPolarHBondContact O-CE2 3.46Å; G69-F79 WeakPolarHBondContact O-CD2 3.24Å; F70-F79 HydrophobicContact CD1-CB 3.9Å; F70-F79 AromaticContact CD2-CD2 4Å; F70-F79 HydrophobicContact CD2-CD2 4Å; F70-F79 HydrophobicContact CE1-CB 3.85Å; F70-F79 HydrophobicContact CE2-CD2 4.18Å; F70-F79 HydrophobicContact CG-CB 4.28Å; F70-F79 HydrophobicContact CG-CD2 4.31Å; F70-F79 HydrophobicContact CZ-CB 4.19Å; F79-A83 HydrophobicContact CD2-CB 4.26Å; F79-A83 HydrophobicContact CE1-CB 4.15Å; F79-A83 HydrophobicContact CE2-CB 3.75Å; F79-A83 HydrophobicContact CZ-CB 3.68Å; F79-L88 HydrophobicContact CD2-CD1 3.97Å; F79-L88 HydrophobicContact CE1-CD1 4.46Å; F79-L88 HydrophobicContact CE2-CB 4.32Å; F79-L88 HydrophobicContact CE2-CD1 3.56Å; F79-L88 HydrophobicContact CZ-CB 4.21Å; F79-L88 HydrophobicContact CZ-CD1 3.84Å
80P88.6Confident84.2Confident19 Ų1969.9 Ų69.912%0.12337%0.37CS..  trans-59.8149.1-170.8-18.728.8000112.3R42 G69 E71 V78 S82 A83R42-P80 VanDerWaalsContact NH2-C 3.33Å; R42-P80 PolarHBondContact NH2-O 3.39Å; G69-P80 VanDerWaalsContact O-CD 3.31Å; G69-P80 WeakPolarHBondContact O-CD 3.22Å; E71-P80 HydrophobicContact CB-CG 4.17Å; E71-P80 HydrophobicContact CG-CG 3.7Å; E71-P80 WeakPolarHBondContact OE1-CG 3.18Å; E71-P80 WeakPolarHBondContact OE2-CG 3.35Å; V78-P80 VanDerWaalsContact O-CD 3.27Å; V78-P80 WeakPolarHBondContact O-CD 3.22Å; P80-S82 PolarHBondContact O-N 2.79Å; P80-S82 VanDerWaalsContact O-N 3.15Å; P80-A83 HydrophobicContact CB-CB 4.39Å; P80-A83 HydrophobicContact CG-CB 4.4Å; P80-A83 WeakPolarHBondContact O-CB 3.47Å; P80-A83 PolarHBondContact O-N 2.86Å
81Q83.3Confident84.3Confident161 Ų16169.8 Ų69.875%0.75237%0.37SS*.THydrogen-bonded Turntrans-59.9-25.2175.8-68-166.115.800113.2
82S81.2Confident84.8Confident111 Ų11167.1 Ų67.178%0.77636%0.355SS*.THydrogen-bonded Turntrans-82-8.3176.449.40000114.7P80P80-S82 PolarHBondContact O-N 2.79Å; P80-S82 VanDerWaalsContact O-N 3.15Å
83A83.6Confident85.5Confident21 Ų2165.6 Ų65.617%0.17435%0.35CS..SBendtrans-75.6143.3-177.100000112.3F79 P80 V85F79-A83 HydrophobicContact CD2-CB 4.26Å; F79-A83 HydrophobicContact CE1-CB 4.15Å; F79-A83 HydrophobicContact CE2-CB 3.75Å; F79-A83 HydrophobicContact CZ-CB 3.68Å; P80-A83 HydrophobicContact CB-CB 4.39Å; P80-A83 HydrophobicContact CG-CB 4.4Å; P80-A83 WeakPolarHBondContact O-CB 3.47Å; P80-A83 PolarHBondContact O-N 2.86Å; A83-V85 PolarHBondContact O-N 2.85Å
84S81.1Confident86.7Confident56 Ų5664.2 Ų64.239%0.39234%0.338SS..  trans-69.9124.5-178.4169.50000111.6E86 Q87 L88S84-E86 VanDerWaalsContact C-N 3.27Å; S84-E86 WeakPolarHBondContact OG-CB 3.33Å; S84-E86 PolarHBondContact OG-N 2.82Å; S84-E86 PolarHBondContact OG-OE2 2.91Å; S84-Q87 PolarHBondContact OG-N 2.87Å; S84-L88 PolarHBondContact O-N 3.29Å
85V85Confident88.2Confident40 Ų4054.9 Ų54.924%0.24229%0.294CS..Hα-helixtrans-74.5-23.5174.5179.80000110.9A83 L88 K89A83-V85 PolarHBondContact O-N 2.85Å; V85-L88 PolarHBondContact O-N 2.82Å; V85-K89 HydrophobicContact CG1-CD 4.43Å; V85-K89 WeakPolarHBondContact O-CG 3.3Å; V85-K89 PolarHBondContact O-N 3.46Å
86E86.1Confident89.2Confident130 Ų13051.5 Ų51.561%0.60728%0.275SS*.Hα-helixtrans-67-43.4177-61.266.5-145.200111.2S84 K89 L90S84-E86 VanDerWaalsContact C-N 3.27Å; S84-E86 WeakPolarHBondContact OG-CB 3.33Å; S84-E86 PolarHBondContact OG-N 2.82Å; S84-E86 PolarHBondContact OG-OE2 2.91Å; E86-K89 PolarHBondContact O-N 2.85Å; E86-L90 PolarHBondContact O-N 3.36Å
87Q86.4Confident89.5Confident78 Ų7851.9 Ų51.936%0.36429%0.288SS..Hα-helixtrans-64.1-43.3175.4-178.162.523.300111.4E67 S84 K89 L90 I91E67-Q87 WeakPolarHBondContact O-CG 3.27Å; E67-Q87 PolarHBondContact O-NE2 3.17Å; S84-Q87 PolarHBondContact OG-N 2.87Å; Q87-K89 VanDerWaalsContact C-N 3.34Å; Q87-K89 PolarHBondContact O-N 2.8Å; Q87-L90 WeakPolarHBondContact O-CB 3.34Å; Q87-L90 PolarHBondContact O-N 3.23Å; Q87-I91 PolarHBondContact O-N 2.92Å; Q87-I91 VanDerWaalsContact O-N 3.14Å
88L91Very high89.6Confident0 Ų053.2 Ų53.20%029%0.293CS..Hα-helixtrans-58.6-44.1174.8-176.8122.4000111.8A29 I32 I33 M68 F70 F79 S84 V85 R92A29-L88 HydrophobicContact CB-CD2 4.28Å; A29-L88 HydrophobicContact CB-CG 4.36Å; I32-L88 HydrophobicContact CB-CD2 4.5Å; I32-L88 HydrophobicContact CD1-CD1 4.26Å; I32-L88 HydrophobicContact CG2-CD1 4.5Å; I32-L88 HydrophobicContact CG2-CD2 4.37Å; I33-L88 HydrophobicContact CD1-CD2 3.78Å; I33-L88 HydrophobicContact CG1-CD2 3.44Å; I33-L88 VanDerWaalsContact CG1-CD2 3.44Å; M68-L88 HydrophobicContact CB-CD1 4.11Å; M68-L88 HydrophobicContact CB-CG 4.45Å; M68-L88 WeakPolarHBondContact O-CB 3.31Å; F70-L88 HydrophobicContact CE2-CD1 4.2Å; F79-L88 HydrophobicContact CD2-CD1 3.97Å; F79-L88 HydrophobicContact CE1-CD1 4.46Å; F79-L88 HydrophobicContact CE2-CB 4.32Å; F79-L88 HydrophobicContact CE2-CD1 3.56Å; F79-L88 HydrophobicContact CZ-CB 4.21Å; F79-L88 HydrophobicContact CZ-CD1 3.84Å; S84-L88 PolarHBondContact O-N 3.29Å; V85-L88 PolarHBondContact O-N 2.82Å; L88-R92 WeakPolarHBondContact O-CB 3.31Å; L88-R92 PolarHBondContact O-N 3.5Å
89K91.8Very high89.7Confident95 Ų9554 Ų5441%0.41329%0.29SS..Hα-helixtrans-62.8-43.1175.4-76171.2178.8172.50112.4I33 V85 E86 Q87 R92 D93I33-K89 HydrophobicContact CD1-CG 3.87Å; I33-K89 HydrophobicContact CG1-CG 4.26Å; V85-K89 HydrophobicContact CG1-CD 4.43Å; V85-K89 WeakPolarHBondContact O-CG 3.3Å; V85-K89 PolarHBondContact O-N 3.46Å; E86-K89 PolarHBondContact O-N 2.85Å; Q87-K89 VanDerWaalsContact C-N 3.34Å; Q87-K89 PolarHBondContact O-N 2.8Å; K89-R92 PolarHBondContact O-N 3.32Å; K89-D93 WeakPolarHBondContact O-CB 3.49Å; K89-D93 VanDerWaalsContact O-CG 3.29Å; K89-D93 PolarHBondContact O-N 2.82Å
90L91.9Very high89.7Confident81 Ų8157.2 Ų57.242%0.42431%0.308SS..Hα-helixtrans-58.9-52.2-179.7-178.868.5000111.8E86 Q87 D93 C94E86-L90 PolarHBondContact O-N 3.36Å; Q87-L90 WeakPolarHBondContact O-CB 3.34Å; Q87-L90 PolarHBondContact O-N 3.23Å; L90-D93 PolarHBondContact O-N 2.67Å; L90-C94 PolarHBondContact O-N 2.95Å; L90-C94 VanDerWaalsContact O-N 3.09Å; L90-C94 PolarHBondContact O-SG 3.4Å; L90-C94 VanDerWaalsContact O-SG 3.38Å
91I92.4Very high89.7Confident2 Ų261.7 Ų61.71%0.0133%0.33CS..Hα-helixtrans-66.6-40.4-179.3-57.5-57.3000111S4 V7 E67 M68 Q87 D93 C94 I95S4-I91 WeakPolarHBondContact OG-CD1 3.3Å; V7-I91 HydrophobicContact CG2-CG2 3.96Å; E67-I91 HydrophobicContact CB-CD1 4.21Å; E67-I91 HydrophobicContact CB-CG1 4.16Å; M68-I91 HydrophobicContact CE-CB 4.47Å; M68-I91 HydrophobicContact CE-CG2 3.85Å; M68-I91 HydrophobicContact CG-CB 3.77Å; M68-I91 HydrophobicContact CG-CG1 4.46Å; M68-I91 HydrophobicContact CG-CG2 3.74Å; Q87-I91 PolarHBondContact O-N 2.92Å; Q87-I91 VanDerWaalsContact O-N 3.14Å; I91-D93 VanDerWaalsContact C-N 3.33Å; I91-D93 PolarHBondContact O-N 2.81Å; I91-C94 PolarHBondContact O-N 2.92Å; I91-I95 HydrophobicContact CG2-CD1 4.06Å; I91-I95 WeakPolarHBondContact O-CG1 3.28Å; I91-I95 PolarHBondContact O-N 2.61Å
92R95.3Very high90Very high61 Ų6156.1 Ų56.123%0.2330%0.302CS..Hα-helixtrans-56-46.4173.9177.7-85176.9-147.9-9111.6L26 A29 D30 I33 L88 K89 I95 A96L26-R92 HydrophobicContact CD2-CG 3.8Å; L26-R92 VanDerWaalsContact CD2-O 3.27Å; L26-R92 WeakPolarHBondContact CD2-O 3.29Å; A29-R92 HydrophobicContact CB-CB 3.89Å; A29-R92 HydrophobicContact CB-CG 3.71Å; D30-R92 IonicContact OD1-CZ 3.83Å; D30-R92 IonicContact OD1-NE 2.71Å; D30-R92 PolarHBondContact OD1-NE 3.2Å; D30-R92 IonicContact OD1-NH2 3.5Å; D30-R92 PolarHBondContact OD1-NH2 2.87Å; D30-R92 IonicContact OD2-NH2 3.58Å; I33-R92 HydrophobicContact CD1-CG 4.41Å; L88-R92 WeakPolarHBondContact O-CB 3.31Å; L88-R92 PolarHBondContact O-N 3.5Å; K89-R92 PolarHBondContact O-N 3.32Å; R92-I95 PolarHBondContact O-N 2.86Å; R92-A96 WeakPolarHBondContact O-CB 3.46Å; R92-A96 PolarHBondContact O-N 3.4Å
93D93.8Very high90.3Very high85 Ų8556.1 Ų56.146%0.45529%0.293SS..Hα-helixtrans-70.1-34.4-178.5-72.1-19.7000112.4K89 L90 I91 A96 A97K89-D93 WeakPolarHBondContact O-CB 3.49Å; K89-D93 VanDerWaalsContact O-CG 3.29Å; K89-D93 PolarHBondContact O-N 2.82Å; L90-D93 PolarHBondContact O-N 2.67Å; I91-D93 VanDerWaalsContact C-N 3.33Å; I91-D93 PolarHBondContact O-N 2.81Å; D93-A96 PolarHBondContact O-N 3.48Å; D93-A97 WeakPolarHBondContact O-CB 3.47Å; D93-A97 PolarHBondContact O-N 3.49Å
94C93.4Very high90.3Very high13 Ų1364.8 Ų64.89%0.08832%0.321CS..Hα-helixtrans-61.1-45.9171.2-69.30000112.2L3 V7 L90 I91 A97 E98L3-C94 HydrophobicContact CD2-CB 4.32Å; V7-C94 HydrophobicContact CG1-CB 4.2Å; V7-C94 HydrophobicContact CG2-CB 4.14Å; L90-C94 PolarHBondContact O-N 2.95Å; L90-C94 VanDerWaalsContact O-N 3.09Å; L90-C94 PolarHBondContact O-SG 3.4Å; L90-C94 VanDerWaalsContact O-SG 3.38Å; I91-C94 PolarHBondContact O-N 2.92Å; C94-A97 PolarHBondContact O-N 3.23Å; C94-E98 PolarHBondContact O-N 2.96Å
95I95Very high89.3Confident0 Ų065.3 Ų65.30%034%0.335CS..Hα-helixtrans-65.2-41.1177.8-65166.9000110.6V7 L10 A22 L25 L26 C64 M68 I91 R92 R99V7-I95 HydrophobicContact CG1-CG1 4.28Å; V7-I95 HydrophobicContact CG2-CD1 4.5Å; V7-I95 HydrophobicContact CG2-CG1 3.93Å; L10-I95 HydrophobicContact CD2-CD1 4.47Å; L10-I95 HydrophobicContact CD2-CG1 4.36Å; A22-I95 HydrophobicContact CB-CG2 3.73Å; L25-I95 HydrophobicContact CB-CD1 4.3Å; L25-I95 HydrophobicContact CD1-CD1 4.08Å; L26-I95 HydrophobicContact CD1-CG2 4.26Å; L26-I95 HydrophobicContact CD2-CB 4.16Å; L26-I95 HydrophobicContact CD2-CG2 4.05Å; L26-I95 HydrophobicContact CG-CG2 3.97Å; C64-I95 HydrophobicContact CB-CD1 4.21Å; M68-I95 HydrophobicContact CE-CD1 3.43Å; M68-I95 VanDerWaalsContact CE-CD1 3.43Å; I91-I95 HydrophobicContact CG2-CD1 4.06Å; I91-I95 WeakPolarHBondContact O-CG1 3.28Å; I91-I95 PolarHBondContact O-N 2.61Å; R92-I95 PolarHBondContact O-N 2.86Å; I95-R99 WeakPolarHBondContact O-CB 3.27Å; I95-R99 PolarHBondContact O-N 2.98Å
96A94.8Very high87.3Confident11 Ų1166.8 Ų66.89%0.09136%0.359CS..Hα-helixtrans-64.1-43.8178.500000112.2L26 R92 D93 E98 R99 D100L26-A96 HydrophobicContact CD1-CB 4.38Å; L26-A96 HydrophobicContact CD2-CB 4.03Å; R92-A96 WeakPolarHBondContact O-CB 3.46Å; R92-A96 PolarHBondContact O-N 3.4Å; D93-A96 PolarHBondContact O-N 3.48Å; A96-E98 PolarHBondContact O-N 2.93Å; A96-R99 PolarHBondContact O-N 3.06Å; A96-D100 PolarHBondContact O-N 3.16Å
97A91.8Very high84.8Confident64 Ų6471.4 Ų71.453%0.52937%0.371SS..Hα-helixtrans-61.4-43.4178.500000112.3D93 C94 D100 L101D93-A97 WeakPolarHBondContact O-CB 3.47Å; D93-A97 PolarHBondContact O-N 3.49Å; C94-A97 PolarHBondContact O-N 3.23Å; A97-D100 PolarHBondContact O-N 3.05Å; A97-L101 PolarHBondContact O-N 2.79Å; A97-L101 VanDerWaalsContact O-N 3.07Å
98E91.8Very high82.4Confident33 Ų3374 Ų7415%0.15440%0.395CS..Hα-helixtrans-67.9-39.9176.5-179.766.4-167.100112F18 C94 A96 D100 L101 R102F18-E98 HydrophobicContact CE1-CB 4.35Å; F18-E98 HydrophobicContact CE1-CG 3.84Å; F18-E98 HydrophobicContact CE2-CG 3.95Å; F18-E98 HydrophobicContact CZ-CB 3.8Å; F18-E98 HydrophobicContact CZ-CG 3.37Å; C94-E98 PolarHBondContact O-N 2.96Å; A96-E98 PolarHBondContact O-N 2.93Å; E98-D100 VanDerWaalsContact C-N 3.32Å; E98-D100 PolarHBondContact O-N 3.22Å; E98-L101 WeakPolarHBondContact O-CB 3.48Å; E98-L101 PolarHBondContact O-N 2.93Å; E98-R102 PolarHBondContact O-N 2.87Å; E98-R102 IonicContact OE1-CZ 3.32Å; E98-R102 IonicContact OE1-NE 2.82Å; E98-R102 PolarHBondContact OE1-NE 2.64Å; E98-R102 IonicContact OE1-NH2 2.71Å; E98-R102 PolarHBondContact OE1-NH2 2.63Å; E98-R102 VanDerWaalsContact OE1-NH2 3.15Å
99R93.3Very high79.5Confident70 Ų7080 Ų8026%0.26443%0.431SS..Hα-helixtrans-59.6-44.1175.1-167.2-173.171.7175.5-0.4111.5F18 L19 A22 L26 I95 A96 L101 R102 L103F18-R99 HydrophobicContact CE1-CB 4.14Å; L19-R99 HydrophobicContact CD2-CG 3.63Å; A22-R99 HydrophobicContact CB-CB 4.45Å; A22-R99 HydrophobicContact CB-CG 4.28Å; L26-R99 VanDerWaalsContact CD1-CZ 3.45Å; I95-R99 WeakPolarHBondContact O-CB 3.27Å; I95-R99 PolarHBondContact O-N 2.98Å; A96-R99 PolarHBondContact O-N 3.06Å; R99-L101 VanDerWaalsContact C-N 3.3Å; R99-L101 PolarHBondContact O-N 3.32Å; R99-R102 PolarHBondContact O-N 2.79Å; R99-L103 HydrophobicContact CG-CD1 4.09Å; R99-L103 WeakPolarHBondContact O-CB 3.24Å; R99-L103 VanDerWaalsContact O-CG 3.28Å; R99-L103 WeakPolarHBondContact O-CG 3.34Å; R99-L103 PolarHBondContact O-N 3.29Å
100D91.4Very high76.4Confident71 Ų7183.8 Ų83.838%0.3845%0.45SS..Hα-helixtrans-67.7-31.2178.2-71.9-4.4000112.2A96 A97 E98 R104A96-D100 PolarHBondContact O-N 3.16Å; A97-D100 PolarHBondContact O-N 3.05Å; E98-D100 VanDerWaalsContact C-N 3.32Å; E98-D100 PolarHBondContact O-N 3.22Å; D100-R104 VanDerWaalsContact O-CG 3.27Å; D100-R104 WeakPolarHBondContact O-CG 3.39Å; D100-R104 PolarHBondContact O-N 3.14Å
101L89.7Confident73.7Confident113 Ų11385.9 Ų85.959%0.59247%0.469SS*.Hα-helixtrans-65.9-47.8174-179.365000111.3A97 E98 R99 R104A97-L101 PolarHBondContact O-N 2.79Å; A97-L101 VanDerWaalsContact O-N 3.07Å; E98-L101 WeakPolarHBondContact O-CB 3.48Å; E98-L101 PolarHBondContact O-N 2.93Å; R99-L101 VanDerWaalsContact C-N 3.3Å; R99-L101 PolarHBondContact O-N 3.32Å; L101-R104 PolarHBondContact O-N 3.25Å
102R89.4Confident70.6Confident44 Ų4490.4 Ų90.417%0.16651%0.506CS..Hα-helixtrans-69.5-36.1-179.3-67.5-175.1-174.6-145.69.7113.1C11 N13 D15 L19 E98 R99 R104 G105C11-R102 VanDerWaalsContact CA-NH2 3.33Å; C11-R102 PolarHBondContact O-NH2 2.98Å; N13-R102 PolarHBondContact O-NH1 3.04Å; N13-R102 VanDerWaalsContact O-NH1 3.11Å; D15-R102 WeakPolarHBondContact OD1-CD 3.23Å; D15-R102 IonicContact OD1-CZ 2.74Å; D15-R102 IonicContact OD1-NE 3.52Å; D15-R102 IonicContact OD1-NH1 3.51Å; D15-R102 PolarHBondContact OD1-NH1 3.2Å; L19-R102 HydrophobicContact CD2-CB 4.25Å; E98-R102 PolarHBondContact O-N 2.87Å; E98-R102 IonicContact OE1-CZ 3.32Å; E98-R102 IonicContact OE1-NE 2.82Å; E98-R102 PolarHBondContact OE1-NE 2.64Å; E98-R102 IonicContact OE1-NH2 2.71Å; E98-R102 PolarHBondContact OE1-NH2 2.63Å; E98-R102 VanDerWaalsContact OE1-NH2 3.15Å; R99-R102 PolarHBondContact O-N 2.79Å; R102-R104 PolarHBondContact O-N 2.76Å; R102-G105 PolarHBondContact O-N 2.8Å
103L86.4Confident67.4Low111 Ų11193.3 Ų93.358%0.58154%0.536SS*.Hα-helixtrans-67.9-21.2176.1-73.2173.1000113.7L19 R99 G105L19-L103 HydrophobicContact CD1-CD2 3.86Å; L19-L103 HydrophobicContact CD2-CD1 4.43Å; L19-L103 HydrophobicContact CD2-CD2 3.86Å; L19-L103 HydrophobicContact CD2-CG 3.75Å; L19-L103 HydrophobicContact CG-CD2 4.49Å; R99-L103 HydrophobicContact CG-CD1 4.09Å; R99-L103 WeakPolarHBondContact O-CB 3.24Å; R99-L103 VanDerWaalsContact O-CG 3.28Å; R99-L103 WeakPolarHBondContact O-CG 3.34Å; R99-L103 PolarHBondContact O-N 3.29Å; L103-G105 VanDerWaalsContact C-N 3.27Å; L103-G105 PolarHBondContact O-N 3.17Å
104R84.3Confident64.3Low202 Ų20297.8 Ų97.876%0.76255%0.554SS**THydrogen-bonded Turntrans-83.33.9174.7-72176.6-154.8-1225.4113.8D100 L101 R102 G106D100-R104 VanDerWaalsContact O-CG 3.27Å; D100-R104 WeakPolarHBondContact O-CG 3.39Å; D100-R104 PolarHBondContact O-N 3.14Å; L101-R104 PolarHBondContact O-N 3.25Å; R102-R104 PolarHBondContact O-N 2.76Å; R104-G106 PolarHBondContact O-N 2.78Å
105G60.2Low61.4Low67 Ų67103.4 Ų103.469%0.69159%0.59SS**  trans-41.8125.3-160.500000118.2R102 L103R102-G105 PolarHBondContact O-N 2.8Å; L103-G105 VanDerWaalsContact C-N 3.27Å; L103-G105 PolarHBondContact O-N 3.17Å
106G42.9Very low58.2Low72 Ų72108.1 Ų108.174%0.74263%0.63SS**  trans146.989.6158.200000116.8R104R104-G106 PolarHBondContact O-N 2.78Å
107R34.4Very low55.1Low227 Ų227114 Ų11486%0.85766%0.664SS**  trans48.3129.2159.7-77.6-179.8170.8170-2.9120.2
108P35Very low52.1Low132 Ų132115.5 Ų115.586%0.85768%0.676SS**  trans-67.7126.6133.7-4.522.7000108.7
109V30.6Very low49Very low127 Ų127119 Ų11977%0.7771%0.705SS**  trans-51.3134.1176.1175.10000112.2
110Q26.8Very low45.9Very low173 Ų173122.9 Ų122.981%0.80874%0.735SS**  -179.2159.9126-98.1-170.9-4.400112.6
111P34.4Very low42.7Very low126 Ų126126.7 Ų126.782%0.81876%0.755SS**  -103.1170.9-119.838.9-36.1000116.5
112A28.6Very low39.8Very low96 Ų96126.7 Ų126.779%0.79376%0.759SS**  trans-70.5158.1-16500000117.3
113S27.4Very low37.2Very low122 Ų122130.6 Ų130.685%0.85379%0.791SS**  trans-140.5137.8136.647.70000109.6
114Q29.3Very low34.3Very low180 Ų180133.9 Ų133.984%0.84180%0.803SS**  trans-78.6175.4-161.1-61.7172-3100114.3
115P32.2Very low31.4Very low130 Ų130130.1 Ų130.184%0.84481%0.807SS**  trans-131.7151131.532.9-18.6000114.5
116A27.8Very low29.7Very low100 Ų100132.6 Ų132.683%0.82681%0.813SS**  trans-95.4166.4-177.300000113.3
117V30.1Very low29Very low135 Ų135134.3 Ų134.382%0.81882%0.82SS**  trans-92.1147.4-168.1-177.60000113.3
118A27.8Very low28.6Very low94 Ų94128.1 Ų128.178%0.77782%0.817SS**  trans178.5115.2143.600000108.8
119S27.2Very low28.3Very low108 Ų108126.6 Ų126.676%0.75582%0.816SS**  57.5109.271-60.40000116.6
120V26.8Very low28.2Very low150 Ų150126.2 Ų126.291%0.90982%0.819SS**  trans-160.4156.4136.8-174.40000110.5
121L26Very low28.2Very low151 Ų151123.2 Ų123.279%0.79182%0.817SS**  trans-95.4148.4-150.6-73.7153.3000118.9
122V28.5Very low28.2Very low113 Ų113122.9 Ų122.969%0.68582%0.815SS**  trans16.3163.4139.9-119.90000122.4E124V122-E124 HydrophobicContact CG1-CG 4.47Å
123P33.9Very low28.3Very low127 Ų127124.3 Ų124.383%0.82582%0.816SS**  -140.6172.552.234.6-10.2000119.2
124E25.7Very low28.7Very low180 Ų180125.6 Ų125.684%0.84182%0.819SS**  trans-72.5164.3-170.3-59.4161.8129.400117.3V122V122-E124 HydrophobicContact CG1-CG 4.47Å
125S24.7Very low28.7Very low122 Ų122121.3 Ų121.385%0.85381%0.814SS**  trans-165.9141.8135.4172.50000112.8
126C24.4Very low28.7Very low120 Ų120121 Ų12181%0.81181%0.812SS**  trans-67.1158.9-169.3-52.20000117.4
127A26.8Very low28.7Very low107 Ų107121.9 Ų121.988%0.88481%0.813SS**  159.1152109.700000113.2
128A27.3Very low28.8Very low97 Ų97122 Ų12280%0.80281%0.814SS**  trans-88158.4-16700000115.5
129A28.5Very low29.2Very low100 Ų100126.5 Ų126.583%0.82682%0.819SS**  trans51.2108.4144.500000120.3
130S27.2Very low29.5Very low119 Ų119130.2 Ų130.283%0.83282%0.824SS**  trans-164.8127.5136.747.40000110.7
131S28.1Very low30.3Very low111 Ų111128.1 Ų128.178%0.77681%0.814SS**PPolyproline II helixtrans-52.1143.9176.236.20000114.7
132P33.4Very low31.5Very low119 Ų119122.3 Ų122.377%0.77379%0.785SS**PPolyproline II helixtrans-86.7148.7171.233.6-30.3000111.9
133P30.8Very low33.1Very low125 Ų125120.1 Ų120.181%0.81278%0.775SS**PPolyproline II helixtrans-80.9151.2168.833.9-30.6000111.1
134T35.2Very low34.4Very low150 Ų150117.6 Ų117.692%0.9275%0.754SS**PPolyproline II helixtrans-62131.3-179.4-250000113.1
135A29.6Very low36.4Very low90 Ų90116 Ų11674%0.74475%0.747SS**  trans-152.1155.916100000109.2
136P32.1Very low38.6Very low122 Ų122111.4 Ų111.479%0.79272%0.715SS**  -85.2159.3-126.631.8-36.5000116T138P136-T138 PolarHBondContact O-N 3.4Å
137S29.1Very low41.2Very low120 Ų120106.2 Ų106.284%0.83968%0.68SS**  trans-43.1113.9-17760.80000115.3Q139S137-Q139 PolarHBondContact O-N 3.1Å
138T31.3Very low43.7Very low137 Ų137104.5 Ų104.584%0.8466%0.655SS**  trans-66.8123.1157.323.70000110.6P136P136-T138 PolarHBondContact O-N 3.4Å
139Q36.5Very low46.3Very low188 Ų188102.7 Ų102.788%0.87964%0.636SS**  trans2.5117.1158.6-64.1172.5-10.300116.4S137S137-Q139 PolarHBondContact O-N 3.1Å
140Q34.3Very low49.3Very low186 Ų18698 Ų9887%0.86960%0.597SS**  trans-55.6135.2165.7-79.5177.4-59.400110S142Q140-S142 PolarHBondContact O-N 2.9Å
141P43.2Very low52.4Low107 Ų10795.4 Ų95.470%0.69557%0.571SS**  trans-61.1127169.724-29.7000108.8S143P141-S143 PolarHBondContact O-N 2.83Å
142S50.6Low55.2Low28 Ų2892.5 Ų92.520%0.19655%0.548CS..  trans-44.6126.8170.354.90000109.7Q140Q140-S142 PolarHBondContact O-N 2.9Å
143S62.9Low58Low67 Ų6788.3 Ų88.347%0.46952%0.521SS..  trans-60.1142.5-176.163.30000111.1P141 E145 S146 S147P141-S143 PolarHBondContact O-N 2.83Å; S143-E145 PolarHBondContact O-N 3.36Å; S143-S146 WeakPolarHBondContact O-CB 3.28Å; S143-S146 PolarHBondContact O-N 2.88Å; S143-S147 PolarHBondContact O-N 3.36Å
144L61.5Low61.1Low74 Ų7482.4 Ų82.439%0.38748%0.482SS..Hα-helixtrans-54.3-34.3177.7-17657.9000112.3L56 S146 S147 M148L56-L144 HydrophobicContact CB-CD2 4.37Å; L56-L144 HydrophobicContact CD2-CD2 3.39Å; L56-L144 HydrophobicContact CD2-CG 3.85Å; L56-L144 HydrophobicContact CG-CD2 3.74Å; L56-L144 HydrophobicContact CG-CG 4.25Å; L144-S146 VanDerWaalsContact C-N 3.35Å; L144-S146 PolarHBondContact O-N 3.22Å; L144-S147 PolarHBondContact O-N 3Å; L144-M148 WeakPolarHBondContact O-CG 3.18Å; L144-M148 PolarHBondContact O-N 2.85Å
145E65.9Low63.9Low146 Ų14680.1 Ų80.168%0.68246%0.461SS*.Hα-helixtrans-60.1-39.6172.9-66.7176.5169.300112.9S143 M148 S149S143-E145 PolarHBondContact O-N 3.36Å; E145-M148 PolarHBondContact O-N 3.38Å; E145-S149 WeakPolarHBondContact O-CB 3.39Å; E145-S149 PolarHBondContact O-N 3.22Å
146S71.5Confident66.9Low27 Ų2779.2 Ų79.219%0.18945%0.45CS..Hα-helixtrans-66.4-41.3177.6-173.40000111.3S143 L144 F150 R382S143-S146 WeakPolarHBondContact O-CB 3.28Å; S143-S146 PolarHBondContact O-N 2.88Å; L144-S146 VanDerWaalsContact C-N 3.35Å; L144-S146 PolarHBondContact O-N 3.22Å; S146-F150 WeakPolarHBondContact O-CB 3.47Å; S146-F150 PolarHBondContact O-N 3.38Å; S146-R382 WeakPolarHBondContact CB-O 3.47Å; S146-R382 PolarHBondContact OG-O 3.45Å
147S79.9Confident70Confident11 Ų1174.5 Ų74.58%0.07742%0.418CS..Hα-helixtrans-63.5-40.5174.3-60.30000112.4S143 L144 F150 F151 W387S143-S147 PolarHBondContact O-N 3.36Å; L144-S147 PolarHBondContact O-N 3Å; S147-F150 PolarHBondContact O-N 3.45Å; S147-F151 WeakPolarHBondContact O-CB 3.33Å; S147-F151 PolarHBondContact O-N 2.76Å; S147-W387 WeakPolarHBondContact O-CH2 3.39Å; S147-W387 WeakPolarHBondContact O-CZ2 3.39Å
148M78.1Confident73.3Confident71 Ų7169.2 Ų69.235%0.3538%0.379SS..Hα-helixtrans-65.5-49.3176.8-68.4-60.698.800112L56 L144 E145 F150 F151 V152L56-M148 HydrophobicContact CD1-SD 4.4Å; L144-M148 WeakPolarHBondContact O-CG 3.18Å; L144-M148 PolarHBondContact O-N 2.85Å; E145-M148 PolarHBondContact O-N 3.38Å; M148-F150 PolarHBondContact O-N 3.28Å; M148-F151 WeakPolarHBondContact O-CB 3.24Å; M148-F151 PolarHBondContact O-N 3.15Å; M148-F151 VanDerWaalsContact O-N 3.1Å; M148-V152 WeakPolarHBondContact O-CG2 3.48Å; M148-V152 PolarHBondContact O-N 2.75Å
149S83.3Confident76.4Confident59 Ų5968.6 Ų68.641%0.41337%0.367SS..Hα-helixtrans-57.4-39175.6172.30000112.2E145 T153E145-S149 WeakPolarHBondContact O-CB 3.39Å; E145-S149 PolarHBondContact O-N 3.22Å; S149-T153 PolarHBondContact O-N 2.68Å; S149-T153 VanDerWaalsContact O-N 3.07Å; S149-T153 PolarHBondContact O-OG1 2.96Å
150F91.3Very high79.1Confident0 Ų060.4 Ų60.40%033%0.329CS..Hα-helixtrans-68.9-40.3177-155.2-79000112S146 S147 M148 T153 L154 W309 Y353 L355 R382 V383 W387 L388S146-F150 WeakPolarHBondContact O-CB 3.47Å; S146-F150 PolarHBondContact O-N 3.38Å; S147-F150 PolarHBondContact O-N 3.45Å; M148-F150 PolarHBondContact O-N 3.28Å; F150-T153 WeakPolarHBondContact O-CB 3.48Å; F150-T153 PolarHBondContact O-N 3.39Å; F150-L154 HydrophobicContact CD1-CD1 3.92Å; F150-L154 HydrophobicContact CD1-CG 4.03Å; F150-L154 HydrophobicContact CE1-CD1 4.11Å; F150-L154 HydrophobicContact CE1-CD2 4.32Å; F150-L154 HydrophobicContact CE1-CG 4.09Å; F150-L154 WeakPolarHBondContact O-CG 3.3Å; F150-L154 PolarHBondContact O-N 2.86Å; F150-W309 HydrophobicContact CE2-CZ3 4.46Å; F150-W309 HydrophobicContact CZ-CZ3 4.37Å; F150-Y353 AromaticContact CE2-CD1 3.97Å; F150-Y353 HydrophobicContact CE2-CD1 3.97Å; F150-Y353 HydrophobicContact CE2-CD2 4.1Å; F150-Y353 HydrophobicContact CE2-CE1 4.22Å; F150-Y353 HydrophobicContact CE2-CE2 4.36Å; F150-Y353 AromaticContact CE2-CG 3.9Å; F150-Y353 HydrophobicContact CE2-CG 3.9Å; F150-Y353 AromaticContact CZ-CD1 3.72Å; F150-Y353 HydrophobicContact CZ-CD1 3.72Å; F150-Y353 HydrophobicContact CZ-CE1 4.2Å; F150-Y353 AromaticContact CZ-CG 3.92Å; F150-Y353 HydrophobicContact CZ-CG 3.92Å; F150-L355 HydrophobicContact CE1-CD1 3.71Å; F150-L355 HydrophobicContact CZ-CD1 3.73Å; F150-R382 HydrophobicContact CD2-CB 4.33Å; F150-V383 HydrophobicContact CB-CG1 3.63Å; F150-V383 HydrophobicContact CD1-CG1 4.42Å; F150-V383 HydrophobicContact CD1-CG2 4.39Å; F150-V383 HydrophobicContact CD2-CG1 4.06Å; F150-V383 HydrophobicContact CD2-CG2 4.35Å; F150-V383 HydrophobicContact CE1-CG2 4.46Å; F150-V383 HydrophobicContact CE2-CG2 4.4Å; F150-V383 HydrophobicContact CG-CG1 3.79Å; F150-V383 HydrophobicContact CG-CG2 4.33Å; F150-V383 HydrophobicContact CZ-CG2 4.44Å; F150-W387 HydrophobicContact CB-CH2 4.38Å; F150-W387 HydrophobicContact CB-CZ3 4.34Å; F150-W387 HydrophobicContact CD1-CZ3 4.04Å; F150-W387 HydrophobicContact CG-CZ3 4.49Å; F150-L388 HydrophobicContact CD1-CD1 4.17Å; F150-L388 HydrophobicContact CE1-CD1 3.49Å; F150-L388 VanDerWaalsContact CE1-CD1 3.49Å; F150-L388 HydrophobicContact CZ-CD1 4.28Å
151F91.7Very high82.2Confident65 Ų6551.6 Ų51.629%0.28529%0.288SS..Hα-helixtrans-60.4-46.6174.3-179.9-99.9000111.8S147 M148 T153 L154 Q155 W387 T391 L395S147-F151 WeakPolarHBondContact O-CB 3.33Å; S147-F151 PolarHBondContact O-N 2.76Å; M148-F151 WeakPolarHBondContact O-CB 3.24Å; M148-F151 PolarHBondContact O-N 3.15Å; M148-F151 VanDerWaalsContact O-N 3.1Å; F151-T153 VanDerWaalsContact C-N 3.26Å; F151-T153 PolarHBondContact O-N 3.18Å; F151-L154 WeakPolarHBondContact O-CB 3.43Å; F151-L154 PolarHBondContact O-N 3.23Å; F151-L154 VanDerWaalsContact O-N 3.13Å; F151-Q155 HydrophobicContact CE1-CB 4.48Å; F151-Q155 WeakPolarHBondContact O-CB 3.4Å; F151-Q155 PolarHBondContact O-N 2.93Å; F151-W387 HydrophobicContact CB-CH2 3.92Å; F151-W387 HydrophobicContact CB-CZ2 4.05Å; F151-T391 HydrophobicContact CD2-CG2 3.59Å; F151-T391 HydrophobicContact CE2-CG2 3.97Å; F151-L395 HydrophobicContact CE2-CD2 4.36Å
152V87.5Confident84.8Confident50 Ų5049.2 Ų49.230%0.30327%0.268SS..Hα-helixtrans-59.3-40.1176.3173.10000110.8M148 Q155 S156M148-V152 WeakPolarHBondContact O-CG2 3.48Å; M148-V152 PolarHBondContact O-N 2.75Å; V152-Q155 PolarHBondContact O-N 3.09Å; V152-S156 WeakPolarHBondContact O-CB 3.25Å; V152-S156 PolarHBondContact O-N 3.05Å
153T91.8Very high87Confident32 Ų3250.9 Ų50.920%0.19627%0.273CS..Hα-helixtrans-61.7-46.3175.4-56.90000111.6S149 F150 F151 N157 W309S149-T153 PolarHBondContact O-N 2.68Å; S149-T153 VanDerWaalsContact O-N 3.07Å; S149-T153 PolarHBondContact O-OG1 2.96Å; F150-T153 WeakPolarHBondContact O-CB 3.48Å; F150-T153 PolarHBondContact O-N 3.39Å; F151-T153 VanDerWaalsContact C-N 3.26Å; F151-T153 PolarHBondContact O-N 3.18Å; T153-N157 WeakPolarHBondContact O-CB 3.38Å; T153-N157 PolarHBondContact O-N 3.45Å; T153-N157 VanDerWaalsContact O-N 3.11Å; T153-N157 PolarHBondContact O-ND2 3.36Å; T153-W309 HydrophobicContact CG2-CD2 4.32Å; T153-W309 HydrophobicContact CG2-CH2 4.05Å; T153-W309 HydrophobicContact CG2-CZ2 3.85Å; T153-W309 HydrophobicContact CG2-CZ3 4.38Å
154L95.2Very high88.7Confident0 Ų047.9 Ų47.90%025%0.251CS..Hα-helixtrans-59.5-50.8176.2-73.8172000111.4F150 F151 F158 L355 F357 V362 L388 T391 L395F150-L154 HydrophobicContact CD1-CD1 3.92Å; F150-L154 HydrophobicContact CD1-CG 4.03Å; F150-L154 HydrophobicContact CE1-CD1 4.11Å; F150-L154 HydrophobicContact CE1-CD2 4.32Å; F150-L154 HydrophobicContact CE1-CG 4.09Å; F150-L154 WeakPolarHBondContact O-CG 3.3Å; F150-L154 PolarHBondContact O-N 2.86Å; F151-L154 WeakPolarHBondContact O-CB 3.43Å; F151-L154 PolarHBondContact O-N 3.23Å; F151-L154 VanDerWaalsContact O-N 3.13Å; L154-F158 VanDerWaalsContact O-CB 3.23Å; L154-F158 WeakPolarHBondContact O-CB 3.35Å; L154-F158 PolarHBondContact O-N 2.61Å; L154-L355 HydrophobicContact CD2-CD1 3.53Å; L154-L355 HydrophobicContact CG-CD1 4.49Å; L154-F357 HydrophobicContact CD2-CE1 4.02Å; L154-F357 HydrophobicContact CD2-CZ 3.95Å; L154-F357 VanDerWaalsContact O-CE1 3.31Å; L154-F357 WeakPolarHBondContact O-CE1 3.48Å; L154-V362 HydrophobicContact CD2-CG1 4.08Å; L154-L388 HydrophobicContact CD1-CD1 4.09Å; L154-T391 HydrophobicContact CD1-CG2 3.68Å; L154-L395 HydrophobicContact CB-CD1 3.94Å; L154-L395 HydrophobicContact CD1-CD1 4.42Å
155Q94.6Very high90.4Very high102 Ų10246.4 Ų46.448%0.47724%0.242SC..Hα-helixtrans-66.3-44.9-176.3-170.5176.631.200111.8F151 V152 F158 Q159F151-Q155 HydrophobicContact CE1-CB 4.48Å; F151-Q155 WeakPolarHBondContact O-CB 3.4Å; F151-Q155 PolarHBondContact O-N 2.93Å; V152-Q155 PolarHBondContact O-N 3.09Å; Q155-F158 PolarHBondContact O-N 2.79Å; Q155-Q159 WeakPolarHBondContact O-CB 3.19Å; Q155-Q159 PolarHBondContact O-N 3.05Å
156S93.1Very high92Very high72 Ų7242.9 Ų42.950%0.50323%0.228SC..Hα-helixtrans-61.6-48.1179.4-178.50000111.5V152 F158 Q159 H160V152-S156 WeakPolarHBondContact O-CB 3.25Å; V152-S156 PolarHBondContact O-N 3.05Å; S156-F158 PolarHBondContact O-N 3.05Å; S156-Q159 PolarHBondContact O-N 3.23Å; S156-H160 VanDerWaalsContact O-CB 3.31Å; S156-H160 WeakPolarHBondContact O-CB 3.26Å; S156-H160 PolarHBondContact O-N 3.38Å
157N96.7Very high93.2Very high23 Ų2345.9 Ų45.912%0.12325%0.247CC..Hα-helixtrans-65.1-40.6176.6-75.2-31.6000111.9T153 Q159 H160 V161 F357T153-N157 WeakPolarHBondContact O-CB 3.38Å; T153-N157 PolarHBondContact O-N 3.45Å; T153-N157 VanDerWaalsContact O-N 3.11Å; T153-N157 PolarHBondContact O-ND2 3.36Å; N157-Q159 VanDerWaalsContact C-N 3.26Å; N157-Q159 PolarHBondContact O-N 2.68Å; N157-H160 PolarHBondContact O-N 3.33Å; N157-V161 WeakPolarHBondContact O-CG1 3.26Å; N157-V161 PolarHBondContact O-N 3.36Å; N157-V161 VanDerWaalsContact O-N 3.12Å; N157-F357 HydrophobicContact CB-CD1 3.72Å; N157-F357 HydrophobicContact CB-CD2 3.82Å; N157-F357 HydrophobicContact CB-CE1 3.63Å; N157-F357 HydrophobicContact CB-CE2 3.71Å; N157-F357 HydrophobicContact CB-CG 3.83Å; N157-F357 HydrophobicContact CB-CZ 3.62Å
158F97.8Very high94.1Very high8 Ų852.6 Ų52.64%0.03528%0.277CS..Hα-helixtrans-67.2-28.5178.2-164.5-153.3000112.8L154 Q155 S156 V161 F357 S358 V362 L395 R399L154-F158 VanDerWaalsContact O-CB 3.23Å; L154-F158 WeakPolarHBondContact O-CB 3.35Å; L154-F158 PolarHBondContact O-N 2.61Å; Q155-F158 PolarHBondContact O-N 2.79Å; S156-F158 PolarHBondContact O-N 3.05Å; F158-V161 HydrophobicContact CD2-CG2 4.33Å; F158-V161 VanDerWaalsContact O-CG2 3.28Å; F158-V161 WeakPolarHBondContact O-CG2 3.36Å; F158-F357 HydrophobicContact CB-CD1 3.93Å; F158-F357 HydrophobicContact CB-CE1 4.41Å; F158-S358 VanDerWaalsContact CE2-O 3.22Å; F158-S358 WeakPolarHBondContact CE2-O 3.46Å; F158-V362 HydrophobicContact CB-CG2 3.92Å; F158-V362 HydrophobicContact CD1-CG2 3.75Å; F158-V362 HydrophobicContact CD2-CG2 3.48Å; F158-V362 VanDerWaalsContact CD2-CG2 3.48Å; F158-V362 HydrophobicContact CE1-CG2 3.98Å; F158-V362 HydrophobicContact CE2-CG2 3.72Å; F158-V362 HydrophobicContact CG-CG2 3.47Å; F158-V362 VanDerWaalsContact CG-CG2 3.47Å; F158-V362 HydrophobicContact CZ-CG2 3.93Å; F158-L395 HydrophobicContact CD1-CB 4.25Å; F158-L395 HydrophobicContact CE1-CB 4.07Å; F158-R399 HydrophobicContact CE1-CB 3.71Å; F158-R399 HydrophobicContact CE1-CG 4.17Å; F158-R399 HydrophobicContact CE2-CB 4.5Å; F158-R399 HydrophobicContact CE2-CG 4.13Å; F158-R399 HydrophobicContact CZ-CB 3.41Å; F158-R399 VanDerWaalsContact CZ-CB 3.41Å; F158-R399 HydrophobicContact CZ-CG 3.47Å; F158-R399 VanDerWaalsContact CZ-CG 3.47Å; F158-R399 PolarHBondContact O-NH2 3.27Å
159Q96.1Very high95.1Very high125 Ų12549.6 Ų49.658%0.58426%0.262SS*.Hα-helixtrans-78.1-40.8171.3-17460.513.200111.8Q155 S156 N157 V161 M162Q155-Q159 WeakPolarHBondContact O-CB 3.19Å; Q155-Q159 PolarHBondContact O-N 3.05Å; S156-Q159 PolarHBondContact O-N 3.23Å; N157-Q159 VanDerWaalsContact C-N 3.26Å; N157-Q159 PolarHBondContact O-N 2.68Å; Q159-V161 VanDerWaalsContact C-N 3.33Å; Q159-V161 PolarHBondContact O-N 2.81Å; Q159-M162 VanDerWaalsContact O-CB 3.3Å; Q159-M162 WeakPolarHBondContact O-CB 3.3Å; Q159-M162 PolarHBondContact O-N 3.35Å; Q159-M162 VanDerWaalsContact O-N 3.1Å
160H94.8Very high95.8Very high15 Ų1548.9 Ų48.97%0.06925%0.253CS..Hα-helixtrans-57.1-44.5-179.9-179.270000112.2S156 N157 M162 Q163 Y164 N274 N292S156-H160 VanDerWaalsContact O-CB 3.31Å; S156-H160 WeakPolarHBondContact O-CB 3.26Å; S156-H160 PolarHBondContact O-N 3.38Å; N157-H160 PolarHBondContact O-N 3.33Å; H160-M162 PolarHBondContact O-N 2.54Å; H160-Q163 PolarHBondContact ND1-NE2 3.03Å; H160-Q163 VanDerWaalsContact O-CB 3.32Å; H160-Q163 WeakPolarHBondContact O-CB 3.38Å; H160-Q163 WeakPolarHBondContact O-CG 3.39Å; H160-Q163 PolarHBondContact O-N 3.08Å; H160-Y164 PolarHBondContact NE2-OH 2.81Å; H160-N274 PolarHBondContact CE1-O 3.41Å; H160-N292 PolarHBondContact NE2-OD1 3.43Å
161V97.9Very high96.1Very high1 Ų154.7 Ų54.71%0.00628%0.283CS..G310 helixtrans-62.2-16.9-179.8-62.60000114N157 F158 Q159 Q163 Y164 Y307 F357 S358N157-V161 WeakPolarHBondContact O-CG1 3.26Å; N157-V161 PolarHBondContact O-N 3.36Å; N157-V161 VanDerWaalsContact O-N 3.12Å; F158-V161 HydrophobicContact CD2-CG2 4.33Å; F158-V161 VanDerWaalsContact O-CG2 3.28Å; F158-V161 WeakPolarHBondContact O-CG2 3.36Å; Q159-V161 VanDerWaalsContact C-N 3.33Å; Q159-V161 PolarHBondContact O-N 2.81Å; V161-Q163 PolarHBondContact O-N 3.12Å; V161-Y164 HydrophobicContact CB-CD2 4.06Å; V161-Y164 HydrophobicContact CB-CE2 4.1Å; V161-Y164 HydrophobicContact CG1-CD2 4.39Å; V161-Y164 HydrophobicContact CG1-CE2 3.96Å; V161-Y164 WeakPolarHBondContact O-CB 3.16Å; V161-Y164 VanDerWaalsContact O-CD2 3.29Å; V161-Y164 WeakPolarHBondContact O-CD2 3.26Å; V161-Y164 PolarHBondContact O-N 2.8Å; V161-Y307 HydrophobicContact CG1-CG 4.46Å; V161-F357 HydrophobicContact CG1-CB 3.66Å; V161-F357 HydrophobicContact CG2-CB 4.22Å; V161-S358 WeakPolarHBondContact CG2-O 3.5Å
162M97.9Very high96.4Very high58 Ų5855.4 Ų55.429%0.28629%0.286SS..G310 helixtrans-70.1-20174-62-52.9-57.300113.2Q159 H160 Y164 E165 K359 R399Q159-M162 VanDerWaalsContact O-CB 3.3Å; Q159-M162 WeakPolarHBondContact O-CB 3.3Å; Q159-M162 PolarHBondContact O-N 3.35Å; Q159-M162 VanDerWaalsContact O-N 3.1Å; H160-M162 PolarHBondContact O-N 2.54Å; M162-Y164 PolarHBondContact O-N 3.19Å; M162-E165 HydrophobicContact CE-CB 4.27Å; M162-E165 HydrophobicContact CE-CG 4.04Å; M162-E165 PolarHBondContact O-N 2.79Å; M162-K359 HydrophobicContact SD-CB 4.23Å; M162-R399 PolarHBondContact SD-NH1 2.99Å
163Q97.5Very high96.9Very high63 Ų6353 Ų5329%0.29427%0.271SS..G310 helixtrans-58.6-35.3172.3-65.6-178.819.200110.9H160 V161 E165 N166 L169H160-Q163 PolarHBondContact ND1-NE2 3.03Å; H160-Q163 VanDerWaalsContact O-CB 3.32Å; H160-Q163 WeakPolarHBondContact O-CB 3.38Å; H160-Q163 WeakPolarHBondContact O-CG 3.39Å; H160-Q163 PolarHBondContact O-N 3.08Å; V161-Q163 PolarHBondContact O-N 3.12Å; Q163-E165 PolarHBondContact O-N 2.98Å; Q163-N166 WeakPolarHBondContact O-CB 3.33Å; Q163-N166 PolarHBondContact O-N 2.86Å; Q163-N166 VanDerWaalsContact O-N 3.15Å; Q163-L169 WeakPolarHBondContact O-CD2 3.32Å
164Y98.4Very high97.2Very high3 Ų356.9 Ų56.91%0.01228%0.283CS..G310 helixtrans-67.1-17.2178.9-49.5-41.5000113.5H160 V161 M162 Q170 P276 N292 T295 L296H160-Y164 PolarHBondContact NE2-OH 2.81Å; V161-Y164 HydrophobicContact CB-CD2 4.06Å; V161-Y164 HydrophobicContact CB-CE2 4.1Å; V161-Y164 HydrophobicContact CG1-CD2 4.39Å; V161-Y164 HydrophobicContact CG1-CE2 3.96Å; V161-Y164 WeakPolarHBondContact O-CB 3.16Å; V161-Y164 VanDerWaalsContact O-CD2 3.29Å; V161-Y164 WeakPolarHBondContact O-CD2 3.26Å; V161-Y164 PolarHBondContact O-N 2.8Å; M162-Y164 PolarHBondContact O-N 3.19Å; Y164-Q170 WeakPolarHBondContact O-CG 3.41Å; Y164-Q170 PolarHBondContact O-NE2 2.97Å; Y164-P276 HydrophobicContact CD1-CG 4.37Å; Y164-P276 HydrophobicContact CE1-CB 4.27Å; Y164-P276 HydrophobicContact CE1-CG 4.1Å; Y164-N292 WeakPolarHBondContact CE1-O 3.16Å; Y164-N292 VanDerWaalsContact CE1-OD1 3.27Å; Y164-N292 WeakPolarHBondContact CE1-OD1 3.32Å; Y164-N292 WeakPolarHBondContact OH-CA 3.33Å; Y164-N292 PolarHBondContact OH-O 3Å; Y164-N292 PolarHBondContact OH-OD1 3.32Å; Y164-T295 HydrophobicContact CD2-CG2 3.69Å; Y164-T295 HydrophobicContact CE2-CG2 3.46Å; Y164-T295 VanDerWaalsContact CE2-CG2 3.46Å; Y164-T295 HydrophobicContact CG-CG2 4.47Å; Y164-L296 HydrophobicContact CD1-CB 3.73Å; Y164-L296 HydrophobicContact CD1-CD1 4.26Å; Y164-L296 HydrophobicContact CE1-CB 4.1Å
165E98.1Very high97.3Very high43 Ų4361.5 Ų61.520%0.20132%0.315CS..G310 helixtrans-90-1.1178.5-53.8-53.7132.800112.9M162 Q163 P167 R299 K359M162-E165 HydrophobicContact CE-CB 4.27Å; M162-E165 HydrophobicContact CE-CG 4.04Å; M162-E165 PolarHBondContact O-N 2.79Å; Q163-E165 PolarHBondContact O-N 2.98Å; E165-P167 VanDerWaalsContact O-CD 3.26Å; E165-P167 WeakPolarHBondContact O-CD 3.32Å; E165-R299 IonicContact OE1-CZ 3.02Å; E165-R299 IonicContact OE1-NE 2.86Å; E165-R299 PolarHBondContact OE1-NE 3.28Å; E165-R299 IonicContact OE1-NH2 3.94Å; E165-R299 PolarHBondContact OE1-NH2 2.98Å; E165-R299 IonicContact OE2-CZ 2.82Å; E165-R299 IonicContact OE2-NE 3.87Å; E165-R299 IonicContact OE2-NH2 2.75Å; E165-R299 PolarHBondContact OE2-NH2 3.04Å; E165-K359 HydrophobicContact CG-CB 3.7Å; E165-K359 HydrophobicContact CG-CD 4.27Å; E165-K359 VanDerWaalsContact OE2-CD 3.27Å; E165-K359 WeakPolarHBondContact OE2-CD 3.4Å
166N98.2Very high97.5Very high73 Ų7358.9 Ų58.939%0.3930%0.303SS..  trans-66.5117.9173.3-179.9-31.1000110.2Q163 E168 L169 Q170Q163-N166 WeakPolarHBondContact O-CB 3.33Å; Q163-N166 PolarHBondContact O-N 2.86Å; Q163-N166 VanDerWaalsContact O-N 3.15Å; N166-E168 PolarHBondContact O-N 2.78Å; N166-E168 WeakPolarHBondContact OD1-CB 3.19Å; N166-E168 PolarHBondContact OD1-N 3.02Å; N166-L169 HydrophobicContact CB-CB 3.91Å; N166-L169 PolarHBondContact O-N 3.48Å; N166-L169 PolarHBondContact OD1-N 3.37Å; N166-Q170 PolarHBondContact O-N 3Å
167P98.1Very high97.7Very high90 Ų9055.8 Ų55.858%0.58428%0.281SS*.Hα-helixtrans-62.4-38.6-177.1-2435000114.1E165 L169 Q170 L171E165-P167 VanDerWaalsContact O-CD 3.26Å; E165-P167 WeakPolarHBondContact O-CD 3.32Å; P167-L169 VanDerWaalsContact C-N 3.32Å; P167-L169 PolarHBondContact O-N 3.05Å; P167-Q170 PolarHBondContact O-N 2.89Å; P167-L171 VanDerWaalsContact O-CG 3.3Å; P167-L171 WeakPolarHBondContact O-CG 3.31Å; P167-L171 PolarHBondContact O-N 3.13Å
168E98.3Very high97.7Very high151 Ų15156.5 Ų56.571%0.70629%0.287SS*.Hα-helixtrans-65.5-40.6179.4-62.6-179.8174.800110.8N166 L171 K172N166-E168 PolarHBondContact O-N 2.78Å; N166-E168 WeakPolarHBondContact OD1-CB 3.19Å; N166-E168 PolarHBondContact OD1-N 3.02Å; E168-L171 PolarHBondContact O-N 3.28Å; E168-K172 PolarHBondContact O-N 3.45Å
169L98.1Very high97.5Very high8 Ų858.9 Ų58.94%0.04230%0.298CS..Hα-helixtrans-67.4-41.1177-178.257.8000111.8Q163 N166 P167 L171 K172 A173 P276 E277 L280 L296Q163-L169 WeakPolarHBondContact O-CD2 3.32Å; N166-L169 HydrophobicContact CB-CB 3.91Å; N166-L169 PolarHBondContact O-N 3.48Å; N166-L169 PolarHBondContact OD1-N 3.37Å; P167-L169 VanDerWaalsContact C-N 3.32Å; P167-L169 PolarHBondContact O-N 3.05Å; L169-L171 VanDerWaalsContact C-N 3.35Å; L169-K172 PolarHBondContact O-N 3.07Å; L169-A173 PolarHBondContact O-N 3.46Å; L169-P276 HydrophobicContact CD2-CG 3.93Å; L169-E277 HydrophobicContact CD1-CB 3.53Å; L169-E277 HydrophobicContact CD1-CG 3.7Å; L169-L280 HydrophobicContact CD1-CD1 4.28Å; L169-L296 HydrophobicContact CD1-CD2 3.76Å; L169-L296 HydrophobicContact CD2-CD1 3.96Å; L169-L296 HydrophobicContact CD2-CD2 3.99Å; L169-L296 HydrophobicContact CG-CD1 3.77Å; L169-L296 HydrophobicContact CG-CD2 3.7Å; L169-L296 HydrophobicContact CG-CG 4.41Å
170Q98.6Very high97.3Very high45 Ų4560.5 Ų60.521%0.2131%0.306CS..Hα-helixtrans-62.3-41.5173.3-73.2-174.712.300111.8Y164 N166 P167 A173 R174 L296 A300Y164-Q170 WeakPolarHBondContact O-CG 3.41Å; Y164-Q170 PolarHBondContact O-NE2 2.97Å; N166-Q170 PolarHBondContact O-N 3Å; P167-Q170 PolarHBondContact O-N 2.89Å; Q170-A173 PolarHBondContact O-N 2.53Å; Q170-R174 WeakPolarHBondContact O-CB 3.28Å; Q170-R174 PolarHBondContact O-N 2.86Å; Q170-L296 HydrophobicContact CG-CD1 4.48Å; Q170-A300 HydrophobicContact CB-CB 4.12Å; Q170-A300 HydrophobicContact CG-CB 4.32Å; Q170-A300 WeakPolarHBondContact O-CB 3.47Å
171L98.1Very high97.3Very high121 Ų12165.7 Ų65.763%0.63433%0.33SS*.Hα-helixtrans-61.7-43.7175.3-74.3170.7000111.5P167 E168 L169 R174 S175P167-L171 VanDerWaalsContact O-CG 3.3Å; P167-L171 WeakPolarHBondContact O-CG 3.31Å; P167-L171 PolarHBondContact O-N 3.13Å; E168-L171 PolarHBondContact O-N 3.28Å; L169-L171 VanDerWaalsContact C-N 3.35Å; L171-R174 PolarHBondContact O-N 3.11Å; L171-S175 PolarHBondContact O-N 3.08Å
172K98.2Very high97.1Very high80 Ų8065.8 Ų65.835%0.34833%0.33SS..Hα-helixtrans-61.7-46.8176.2-166.9-179.6-171.5-1760111.4E168 L169 R174 S175 E277 L280E168-K172 PolarHBondContact O-N 3.45Å; L169-K172 PolarHBondContact O-N 3.07Å; K172-R174 VanDerWaalsContact C-N 3.32Å; K172-R174 PolarHBondContact O-N 3.43Å; K172-S175 PolarHBondContact O-N 3.18Å; K172-S175 PolarHBondContact O-OG 2.76Å; K172-E277 HydrophobicContact CD-CG 3.79Å; K172-E277 IonicContact NZ-OE1 2.77Å; K172-E277 PolarHBondContact NZ-OE1 3.48Å; K172-L280 HydrophobicContact CG-CD1 4.47Å
173A98.4Very high96.9Very high0 Ų064.1 Ų64.10%032%0.324CS..Hα-helixtrans-58.4-45.1174.400000111.4L169 Q170 S175 I176 I177 L280 L296 A300L169-A173 PolarHBondContact O-N 3.46Å; Q170-A173 PolarHBondContact O-N 2.53Å; A173-S175 VanDerWaalsContact C-N 3.32Å; A173-S175 PolarHBondContact O-N 2.93Å; A173-I176 PolarHBondContact O-N 3.03Å; A173-I177 WeakPolarHBondContact O-CG1 3.05Å; A173-I177 PolarHBondContact O-N 3.43Å; A173-I177 VanDerWaalsContact O-N 3.09Å; A173-L280 HydrophobicContact CB-CD1 4.02Å; A173-L280 HydrophobicContact CB-CD2 4.23Å; A173-L296 HydrophobicContact CB-CD2 4.17Å; A173-L296 HydrophobicContact CB-CG 4.09Å; A173-A300 HydrophobicContact CB-CB 3.73Å
174R97.2Very high96.7Very high114 Ų11464 Ų6443%0.4333%0.33SS..Hα-helixtrans-63.5-33.1179.5-167.6172.6-169.9153.32.8113.5Q170 L171 K172 I176 H179Q170-R174 WeakPolarHBondContact O-CB 3.28Å; Q170-R174 PolarHBondContact O-N 2.86Å; L171-R174 PolarHBondContact O-N 3.11Å; K172-R174 VanDerWaalsContact C-N 3.32Å; K172-R174 PolarHBondContact O-N 3.43Å; R174-I176 PolarHBondContact O-N 3.27Å; R174-H179 PolarHBondContact NH2-CE1 3Å; R174-H179 PolarHBondContact NH2-NE2 3.21Å; R174-H179 VanDerWaalsContact NH2-NE2 3.12Å
175S97.6Very high96.3Very high96 Ų9665.7 Ų65.767%0.67134%0.342SS*.Hα-helixtrans-66.7-20.3174.871.90000113.9L171 K172 A173L171-S175 PolarHBondContact O-N 3.08Å; K172-S175 PolarHBondContact O-N 3.18Å; K172-S175 PolarHBondContact O-OG 2.76Å; A173-S175 VanDerWaalsContact C-N 3.32Å; A173-S175 PolarHBondContact O-N 2.93Å
176I97.6Very high96.1Very high47 Ų4763.6 Ų63.624%0.24133%0.333CS..Hα-helixtrans-95.1-35.1-179.2-67.4165.6000111.1A173 R174 F220 L280A173-I176 PolarHBondContact O-N 3.03Å; R174-I176 PolarHBondContact O-N 3.27Å; I176-F220 HydrophobicContact CG2-CD2 4.1Å; I176-F220 HydrophobicContact CG2-CE2 3.3Å; I176-F220 HydrophobicContact CG2-CZ 3.85Å; I176-L280 HydrophobicContact CD1-CB 3.82Å; I176-L280 HydrophobicContact CD1-CD1 4.27Å; I176-L280 HydrophobicContact CD1-CD2 4.33Å; I176-L280 HydrophobicContact CD1-CG 4.37Å
177I97.9Very high95.9Very high7 Ų765.4 Ų65.44%0.03634%0.339CS..SBendtrans-70130.8179.5-62.1161.6000109.2A173 H179 L182 L212 W215 C297 A300 M301A173-I177 WeakPolarHBondContact O-CG1 3.05Å; A173-I177 PolarHBondContact O-N 3.43Å; A173-I177 VanDerWaalsContact O-N 3.09Å; I177-H179 PolarHBondContact O-N 2.94Å; I177-L182 HydrophobicContact CG2-CD1 3.7Å; I177-L212 HydrophobicContact CG2-CD1 4.19Å; I177-W215 HydrophobicContact CB-CH2 4.25Å; I177-W215 HydrophobicContact CG1-CH2 3.62Å; I177-W215 HydrophobicContact CG1-CZ2 4.42Å; I177-W215 HydrophobicContact CG1-CZ3 3.9Å; I177-W215 HydrophobicContact CG2-CZ3 4.48Å; I177-C297 HydrophobicContact CD1-CB 3.9Å; I177-A300 HydrophobicContact CD1-CB 4.5Å; I177-M301 HydrophobicContact CB-SD 4.47Å; I177-M301 HydrophobicContact CD1-CG 3.99Å; I177-M301 HydrophobicContact CD1-SD 4.18Å; I177-M301 HydrophobicContact CG2-SD 3.74Å
178P96.7Very high95.4Very high38 Ų3866.4 Ų66.425%0.24734%0.336CS..  trans-74.363.2175.430.9-33.8000111.2H180 Q181 L182 W215P178-H180 VanDerWaalsContact C-N 3.34Å; P178-H180 PolarHBondContact O-N 3.36Å; P178-Q181 HydrophobicContact CB-CB 4.29Å; P178-Q181 PolarHBondContact O-N 2.96Å; P178-L182 HydrophobicContact CG-CD1 4.31Å; P178-L182 HydrophobicContact CG-CD2 4.42Å; P178-L182 HydrophobicContact CG-CG 4.11Å; P178-L182 WeakPolarHBondContact O-CG 3.4Å; P178-L182 PolarHBondContact O-N 3.32Å; P178-W215 HydrophobicContact CG-CD2 4.46Å; P178-W215 HydrophobicContact CG-CG 4.31Å
179H92.9Very high94.8Very high59 Ų5961.5 Ų61.527%0.27331%0.312SS..Hα-helixtrans-53.5-44.9-167.1178.673.6000113.4R174 I177 S183 M301R174-H179 PolarHBondContact NH2-CE1 3Å; R174-H179 PolarHBondContact NH2-NE2 3.21Å; R174-H179 VanDerWaalsContact NH2-NE2 3.12Å; I177-H179 PolarHBondContact O-N 2.94Å; H179-S183 VanDerWaalsContact O-CB 3.26Å; H179-S183 WeakPolarHBondContact O-CB 3.02Å; H179-S183 PolarHBondContact O-N 2.84Å; H179-S183 PolarHBondContact O-OG 2.81Å; H179-M301 HydrophobicContact CB-SD 4.47Å; H179-M301 WeakPolarHBondContact ND1-CE 3.47Å; H179-M301 PolarHBondContact ND1-SD 2.81Å
180H92.8Very high94.5Very high159 Ų15962.1 Ų62.174%0.73632%0.315SS*.Hα-helixtrans-64.9-43180-177.8-91.1000112P178 S184P178-H180 VanDerWaalsContact C-N 3.34Å; P178-H180 PolarHBondContact O-N 3.36Å; H180-S184 VanDerWaalsContact O-CB 3.31Å; H180-S184 WeakPolarHBondContact O-CB 3.44Å; H180-S184 PolarHBondContact O-N 3.39Å
181Q94.4Very high94.1Very high123 Ų12366 Ų6658%0.57533%0.331SS*.Hα-helixtrans-64.9-49.5178.4-175.4-177.4-0.900110.8P178 S183 S184 S185P178-Q181 HydrophobicContact CB-CB 4.29Å; P178-Q181 PolarHBondContact O-N 2.96Å; Q181-S183 VanDerWaalsContact C-N 3.32Å; Q181-S183 PolarHBondContact O-N 3.22Å; Q181-S184 PolarHBondContact O-N 3.36Å; Q181-S185 PolarHBondContact O-N 3.37Å; Q181-S185 PolarHBondContact O-OG 3.42Å
182L94.4Very high93.4Very high4 Ų464.7 Ų64.72%0.02132%0.322CS..Hα-helixtrans-62.2-40.9179.8-60-177.3000111.9I177 P178 S185 A186 L208 E211 L212 W215I177-L182 HydrophobicContact CG2-CD1 3.7Å; P178-L182 HydrophobicContact CG-CD1 4.31Å; P178-L182 HydrophobicContact CG-CD2 4.42Å; P178-L182 HydrophobicContact CG-CG 4.11Å; P178-L182 WeakPolarHBondContact O-CG 3.4Å; P178-L182 PolarHBondContact O-N 3.32Å; L182-S185 PolarHBondContact O-N 3.1Å; L182-A186 VanDerWaalsContact O-CB 3.29Å; L182-A186 WeakPolarHBondContact O-CB 3.35Å; L182-A186 PolarHBondContact O-N 2.96Å; L182-L208 HydrophobicContact CB-CD1 4.05Å; L182-E211 HydrophobicContact CD2-CB 4.24Å; L182-L212 HydrophobicContact CD1-CD1 3.85Å; L182-W215 HydrophobicContact CD1-CB 4.35Å; L182-W215 HydrophobicContact CD1-CD2 4.38Å; L182-W215 HydrophobicContact CD1-CE3 4.48Å; L182-W215 HydrophobicContact CD1-CG 4.32Å; L182-W215 HydrophobicContact CD2-CB 3.84Å; L182-W215 HydrophobicContact CD2-CG 4.26Å
183S93.4Very high92.6Very high22 Ų2261.2 Ų61.215%0.15431%0.307CS..Hα-helixtrans-65.8-41.7177.8-57.10000111.7H179 Q181 A186 Q187H179-S183 VanDerWaalsContact O-CB 3.26Å; H179-S183 WeakPolarHBondContact O-CB 3.02Å; H179-S183 PolarHBondContact O-N 2.84Å; H179-S183 PolarHBondContact O-OG 2.81Å; Q181-S183 VanDerWaalsContact C-N 3.32Å; Q181-S183 PolarHBondContact O-N 3.22Å; S183-A186 PolarHBondContact O-N 3.24Å; S183-Q187 VanDerWaalsContact O-CG 3.28Å; S183-Q187 WeakPolarHBondContact O-CG 3.49Å; S183-Q187 PolarHBondContact O-N 3.18Å
184S93.1Very high92.1Very high60 Ų6066.2 Ų66.242%0.4233%0.329SS..Hα-helixtrans-63.8-45.4175.5-177.90000111.7H180 Q181 A186 Q187 H188H180-S184 VanDerWaalsContact O-CB 3.31Å; H180-S184 WeakPolarHBondContact O-CB 3.44Å; H180-S184 PolarHBondContact O-N 3.39Å; Q181-S184 PolarHBondContact O-N 3.36Å; S184-A186 VanDerWaalsContact C-N 3.34Å; S184-A186 PolarHBondContact O-N 2.9Å; S184-Q187 WeakPolarHBondContact O-CB 3.27Å; S184-Q187 PolarHBondContact O-N 3.26Å; S184-H188 PolarHBondContact O-N 3.03Å
185S91.1Very high91.4Very high39 Ų3966.5 Ų66.527%0.27334%0.335SS..Hα-helixtrans-61.2-41174.5-64.80000112.2Q181 L182 H188 K189Q181-S185 PolarHBondContact O-N 3.37Å; Q181-S185 PolarHBondContact O-OG 3.42Å; L182-S185 PolarHBondContact O-N 3.1Å; S185-H188 PolarHBondContact O-N 3.2Å; S185-K189 WeakPolarHBondContact O-CB 3.4Å; S185-K189 PolarHBondContact O-N 2.88Å
186A92.8Very high90.3Very high0 Ų063.8 Ų63.80%032%0.318CS..Hα-helixtrans-64.1-39.7175.800000112.4L182 S183 S184 L190 I204 C207 L208L182-A186 VanDerWaalsContact O-CB 3.29Å; L182-A186 WeakPolarHBondContact O-CB 3.35Å; L182-A186 PolarHBondContact O-N 2.96Å; S183-A186 PolarHBondContact O-N 3.24Å; S184-A186 VanDerWaalsContact C-N 3.34Å; S184-A186 PolarHBondContact O-N 2.9Å; A186-L190 WeakPolarHBondContact O-CB 2.95Å; A186-L190 PolarHBondContact O-N 2.81Å; A186-I204 HydrophobicContact CB-CG1 4.44Å; A186-C207 HydrophobicContact CB-CB 3.88Å; A186-C207 WeakPolarHBondContact O-CB 3.49Å; A186-L208 HydrophobicContact CB-CB 4.09Å; A186-L208 HydrophobicContact CB-CD1 4.39Å
187Q93.7Very high89.2Confident111 Ų11162.8 Ų62.852%0.51931%0.313SS..Hα-helixtrans-63.8-46.4174.6-74.3171.4-2.700111.9S183 S184 L190 K191 I204S183-Q187 VanDerWaalsContact O-CG 3.28Å; S183-Q187 WeakPolarHBondContact O-CG 3.49Å; S183-Q187 PolarHBondContact O-N 3.18Å; S184-Q187 WeakPolarHBondContact O-CB 3.27Å; S184-Q187 PolarHBondContact O-N 3.26Å; Q187-L190 PolarHBondContact O-N 2.6Å; Q187-K191 PolarHBondContact O-N 2.95Å; Q187-I204 HydrophobicContact CG-CD1 3.45Å; Q187-I204 VanDerWaalsContact CG-CD1 3.45Å; Q187-I204 HydrophobicContact CG-CG1 4.29Å
188H88.9Confident88.3Confident111 Ų11168 Ų6851%0.51435%0.348SS..Hα-helixtrans-60-48.7177.3-171.6-86.5000111S184 S185 L190 K191 E192S184-H188 PolarHBondContact O-N 3.03Å; S185-H188 PolarHBondContact O-N 3.2Å; H188-L190 PolarHBondContact O-N 3.14Å; H188-K191 WeakPolarHBondContact O-CB 3.45Å; H188-K191 PolarHBondContact O-N 3.14Å; H188-K191 VanDerWaalsContact O-N 3.14Å; H188-E192 VanDerWaalsContact CE1-CD 3.41Å; H188-E192 IonicContact CE1-OE1 3.04Å; H188-E192 PolarHBondContact CE1-OE1 3.21Å; H188-E192 IonicContact CE1-OE2 2.99Å; H188-E192 IonicContact ND1-OE1 3.44Å; H188-E192 IonicContact ND1-OE2 3.25Å; H188-E192 WeakPolarHBondContact O-CG 3.37Å; H188-E192 PolarHBondContact O-N 3.24Å
189K86.1Confident87.4Confident47 Ų4773.3 Ų73.320%0.20437%0.37CS..Hα-helixtrans-59-46.4177.4-171.1175-122.5166.30111.4S185 K191 E192 L193 E211 A446S185-K189 WeakPolarHBondContact O-CB 3.4Å; S185-K189 PolarHBondContact O-N 2.88Å; K189-K191 VanDerWaalsContact C-N 3.27Å; K189-K191 PolarHBondContact O-N 3.29Å; K189-E192 PolarHBondContact O-N 3.04Å; K189-L193 HydrophobicContact CG-CD1 4.26Å; K189-L193 WeakPolarHBondContact O-CG 3.23Å; K189-L193 PolarHBondContact O-N 2.79Å; K189-E211 IonicContact NZ-OE1 2.76Å; K189-E211 PolarHBondContact NZ-OE1 3.19Å; K189-A446 VanDerWaalsContact CE-O 3.28Å; K189-A446 WeakPolarHBondContact CE-O 3.21Å; K189-A446 PolarHBondContact NZ-O 3.25Å
190L90.9Very high86.7Confident21 Ų2171.2 Ų71.211%0.1136%0.361CS..Hα-helixtrans-59.4-40.1177.3-178.763.1000112.2A186 Q187 H188 L193 K194 L202 I204A186-L190 WeakPolarHBondContact O-CB 2.95Å; A186-L190 PolarHBondContact O-N 2.81Å; Q187-L190 PolarHBondContact O-N 2.6Å; H188-L190 PolarHBondContact O-N 3.14Å; L190-L193 PolarHBondContact O-N 2.88Å; L190-K194 HydrophobicContact CD1-CD 4.5Å; L190-K194 HydrophobicContact CD1-CG 4.43Å; L190-K194 HydrophobicContact CG-CD 4.38Å; L190-K194 WeakPolarHBondContact O-CG 3.23Å; L190-K194 PolarHBondContact O-N 2.9Å; L190-L202 HydrophobicContact CD1-CB 4.29Å; L190-L202 WeakPolarHBondContact CD1-O 3.37Å; L190-I204 HydrophobicContact CD2-CB 4.1Å
191K89.6Confident86.3Confident128 Ų12871.5 Ų71.556%0.55736%0.36SS*.Hα-helixtrans-61.4-49.6176.4-178.3-179.6170.9-1760111Q187 H188 K189 L193 K194 E195Q187-K191 PolarHBondContact O-N 2.95Å; H188-K191 WeakPolarHBondContact O-CB 3.45Å; H188-K191 PolarHBondContact O-N 3.14Å; H188-K191 VanDerWaalsContact O-N 3.14Å; K189-K191 VanDerWaalsContact C-N 3.27Å; K189-K191 PolarHBondContact O-N 3.29Å; K191-L193 VanDerWaalsContact C-N 3.26Å; K191-L193 PolarHBondContact O-N 2.95Å; K191-K194 PolarHBondContact O-N 3.01Å; K191-E195 WeakPolarHBondContact CE-OE1 3.42Å; K191-E195 IonicContact NZ-OE1 3.17Å; K191-E195 WeakPolarHBondContact O-CG 3.43Å; K191-E195 PolarHBondContact O-N 3.43Å
192E84.9Confident85.9Confident92 Ų9266 Ų6643%0.4334%0.335SS..Hα-helixtrans-57.9-40.1176.7-68.2177.6139.700112.1H188 K189 E195 A196H188-E192 VanDerWaalsContact CE1-CD 3.41Å; H188-E192 IonicContact CE1-OE1 3.04Å; H188-E192 PolarHBondContact CE1-OE1 3.21Å; H188-E192 IonicContact CE1-OE2 2.99Å; H188-E192 IonicContact ND1-OE1 3.44Å; H188-E192 IonicContact ND1-OE2 3.25Å; H188-E192 WeakPolarHBondContact O-CG 3.37Å; H188-E192 PolarHBondContact O-N 3.24Å; K189-E192 PolarHBondContact O-N 3.04Å; E192-E195 PolarHBondContact O-N 3.49Å; E192-A196 VanDerWaalsContact O-CB 3.31Å; E192-A196 WeakPolarHBondContact O-CB 3.38Å; E192-A196 PolarHBondContact O-N 3.27Å
193L81.4Confident85.7Confident7 Ų766.8 Ų66.84%0.03734%0.343CS..Hα-helixtrans-66.8-40.3178.6-67.5177.2000112.8K189 L190 K191 A196 D197 L202 A442 M445 A446K189-L193 HydrophobicContact CG-CD1 4.26Å; K189-L193 WeakPolarHBondContact O-CG 3.23Å; K189-L193 PolarHBondContact O-N 2.79Å; L190-L193 PolarHBondContact O-N 2.88Å; K191-L193 VanDerWaalsContact C-N 3.26Å; K191-L193 PolarHBondContact O-N 2.95Å; L193-A196 PolarHBondContact O-N 2.63Å; L193-D197 PolarHBondContact O-N 3.43Å; L193-L202 HydrophobicContact CD1-CD1 3.86Å; L193-A442 HydrophobicContact CB-CB 4.22Å; L193-A442 HydrophobicContact CD2-CB 4.4Å; L193-A442 WeakPolarHBondContact CD2-O 3.18Å; L193-M445 HydrophobicContact CD2-CB 3.38Å; L193-M445 HydrophobicContact CD2-CG 4.44Å; L193-M445 HydrophobicContact CD2-SD 4.3Å; L193-A446 HydrophobicContact CD1-CB 3.54Å; L193-A446 HydrophobicContact CD2-CB 4.33Å
194K86.4Confident85.7Confident106 Ų10669 Ų6946%0.46135%0.353SS..Hα-helixtrans-71.1-33.6176.5-74-176.9173.8-173.50112.6L190 K191 D197 C200L190-K194 HydrophobicContact CD1-CD 4.5Å; L190-K194 HydrophobicContact CD1-CG 4.43Å; L190-K194 HydrophobicContact CG-CD 4.38Å; L190-K194 WeakPolarHBondContact O-CG 3.23Å; L190-K194 PolarHBondContact O-N 2.9Å; K191-K194 PolarHBondContact O-N 3.01Å; K194-D197 CarbonylContact O-C 3.54Å; K194-C200 HydrophobicContact CG-CB 4.11Å
195E83.7Confident85.8Confident119 Ų11970 Ų7056%0.55635%0.351SS*.Hα-helixtrans-67.7-38.3173.3-73.9175.2-17700111.6K191 E192K191-E195 WeakPolarHBondContact CE-OE1 3.42Å; K191-E195 IonicContact NZ-OE1 3.17Å; K191-E195 WeakPolarHBondContact O-CG 3.43Å; K191-E195 PolarHBondContact O-N 3.43Å; E192-E195 PolarHBondContact O-N 3.49Å
196A73.9Confident85.9Confident39 Ų3968.2 Ų68.232%0.32234%0.338SS..Hα-helixtrans-80.1-26.8-179.600000113.8E192 L193 M445 A452E192-A196 VanDerWaalsContact O-CB 3.31Å; E192-A196 WeakPolarHBondContact O-CB 3.38Å; E192-A196 PolarHBondContact O-N 3.27Å; L193-A196 PolarHBondContact O-N 2.63Å; A196-M445 HydrophobicContact CB-CE 3.56Å; A196-M445 HydrophobicContact CB-SD 3.6Å; A196-M445 VanDerWaalsContact CB-SD 3.6Å; A196-A452 HydrophobicContact CB-CB 4.31Å
197D75.5Confident85.9Confident26 Ų2668.2 Ų68.214%0.13934%0.338CS..  trans-143.396.4179.3-178.63.4000109L193 K194 E199 C200 A442L193-D197 PolarHBondContact O-N 3.43Å; K194-D197 CarbonylContact O-C 3.54Å; D197-E199 PolarHBondContact O-N 3.28Å; D197-E199 VanDerWaalsContact O-N 3.11Å; D197-E199 PolarHBondContact OD1-N 3.29Å; D197-C200 HydrophobicContact CB-CB 4.43Å; D197-C200 WeakPolarHBondContact O-CB 3.36Å; D197-C200 PolarHBondContact O-N 3.03Å; D197-A442 HydrophobicContact CB-CB 3.99Å; D197-A442 PolarHBondContact OD2-N 2.84Å
198P77.6Confident86Confident117 Ų11763.7 Ų63.776%0.7632%0.317SS*.THydrogen-bonded Turntrans-59.1-22.4-179-27.135.8000114.3C200P198-C200 VanDerWaalsContact C-N 3.25Å; P198-C200 PolarHBondContact O-N 3.34Å
199E78.8Confident86.4Confident150 Ų15058.5 Ų58.570%0.70129%0.294SS*.THydrogen-bonded Turntrans-87.811.9176.3-67.1-67.6137.700112.4D197 K201D197-E199 PolarHBondContact O-N 3.28Å; D197-E199 VanDerWaalsContact O-N 3.11Å; D197-E199 PolarHBondContact OD1-N 3.29Å; E199-K201 WeakPolarHBondContact O-CG 3.4Å; E199-K201 PolarHBondContact O-N 3.18Å
200C77.9Confident86.7Confident14 Ų1457 Ų5710%0.09529%0.288CS..  trans-59.6109.4179.21770000111.7K194 D197 P198 L202 A442K194-C200 HydrophobicContact CG-CB 4.11Å; D197-C200 HydrophobicContact CB-CB 4.43Å; D197-C200 WeakPolarHBondContact O-CB 3.36Å; D197-C200 PolarHBondContact O-N 3.03Å; P198-C200 VanDerWaalsContact C-N 3.25Å; P198-C200 PolarHBondContact O-N 3.34Å; C200-L202 VanDerWaalsContact C-N 3.27Å; C200-L202 PolarHBondContact O-N 2.94Å; C200-A442 HydrophobicContact CB-CB 3.72Å; C200-A442 WeakPolarHBondContact SG-CB 3.46Å
201K83.2Confident86.9Confident165 Ų16556.6 Ų56.672%0.71729%0.286SS*.  trans-83.94.8177-59.2-172.3-179.9-178.20114.1E199 S323E199-K201 WeakPolarHBondContact O-CG 3.4Å; E199-K201 PolarHBondContact O-N 3.18Å; K201-S323 VanDerWaalsContact O-CB 3.24Å; K201-S323 WeakPolarHBondContact O-CB 3.2Å
202L86.5Confident87.3Confident9 Ų950.5 Ų50.55%0.04726%0.259CS..  trans-75.3145.4-174.9-58.5172.2000111.7L190 L193 C200 D206 Q324 A442 W443 A446L190-L202 HydrophobicContact CD1-CB 4.29Å; L190-L202 WeakPolarHBondContact CD1-O 3.37Å; L193-L202 HydrophobicContact CD1-CD1 3.86Å; C200-L202 VanDerWaalsContact C-N 3.27Å; C200-L202 PolarHBondContact O-N 2.94Å; L202-D206 WeakPolarHBondContact CA-OD2 3.31Å; L202-D206 HydrophobicContact CB-CB 4.4Å; L202-D206 HydrophobicContact CD2-CB 4.39Å; L202-Q324 HydrophobicContact CD2-CG 4.28Å; L202-A442 HydrophobicContact CD1-CB 4.06Å; L202-W443 HydrophobicContact CD1-CB 4.36Å; L202-W443 HydrophobicContact CD1-CE3 3.59Å; L202-W443 HydrophobicContact CD1-CZ3 4.31Å; L202-W443 HydrophobicContact CD2-CD2 3.97Å; L202-W443 HydrophobicContact CD2-CE3 3.23Å; L202-W443 HydrophobicContact CD2-CZ3 3.69Å; L202-W443 HydrophobicContact CG-CE3 4.03Å; L202-A446 HydrophobicContact CD1-CB 4.32Å
203G90.2Very high87.9Confident19 Ų1946.2 Ų46.220%0.19624%0.239CC..  trans-92.6169173.900000112.2E205 D206 C207 S323G203-E205 PolarHBondContact O-N 3.34Å; G203-D206 PolarHBondContact N-OD2 3.25Å; G203-D206 WeakPolarHBondContact O-CB 3.39Å; G203-D206 PolarHBondContact O-N 3.17Å; G203-C207 PolarHBondContact O-N 2.94Å; G203-S323 PolarHBondContact N-OG 3.49Å
204I93.6Very high88.4Confident70 Ų7049.9 Ų49.936%0.35925%0.252SS..Hα-helixtrans-62-36.5170.4-172.5173.7000111.3A186 Q187 L190 D206 C207 L208A186-I204 HydrophobicContact CB-CG1 4.44Å; Q187-I204 HydrophobicContact CG-CD1 3.45Å; Q187-I204 VanDerWaalsContact CG-CD1 3.45Å; Q187-I204 HydrophobicContact CG-CG1 4.29Å; L190-I204 HydrophobicContact CD2-CB 4.1Å; I204-D206 VanDerWaalsContact C-N 3.31Å; I204-D206 PolarHBondContact O-N 3.47Å; I204-C207 PolarHBondContact O-N 3.37Å; I204-L208 WeakPolarHBondContact O-CB 3.45Å; I204-L208 PolarHBondContact O-N 3.42Å
205E94.6Very high88.9Confident80 Ų8045.7 Ų45.737%0.37423%0.234SC..Hα-helixtrans-62.9-37.8178.7-64.7178163.100111.7G203 C207 L208 V209 L303G203-E205 PolarHBondContact O-N 3.34Å; E205-C207 VanDerWaalsContact C-N 3.33Å; E205-C207 PolarHBondContact O-N 3.1Å; E205-L208 WeakPolarHBondContact O-CB 3.5Å; E205-L208 PolarHBondContact O-N 2.73Å; E205-V209 WeakPolarHBondContact O-CG2 3.43Å; E205-V209 PolarHBondContact O-N 2.89Å; E205-L303 HydrophobicContact CB-CD2 4.02Å; E205-L303 HydrophobicContact CG-CD2 4.21Å
206D93.1Very high89.5Confident2 Ų240 Ų401%0.01121%0.207CC..Hα-helixtrans-60.2-44.1174.9-67.4-39.6000111.4L202 G203 I204 L210 S321 S323 Q324 W443L202-D206 WeakPolarHBondContact CA-OD2 3.31Å; L202-D206 HydrophobicContact CB-CB 4.4Å; L202-D206 HydrophobicContact CD2-CB 4.39Å; G203-D206 PolarHBondContact N-OD2 3.25Å; G203-D206 WeakPolarHBondContact O-CB 3.39Å; G203-D206 PolarHBondContact O-N 3.17Å; I204-D206 VanDerWaalsContact C-N 3.31Å; I204-D206 PolarHBondContact O-N 3.47Å; D206-L210 WeakPolarHBondContact O-CG 3.3Å; D206-S321 VanDerWaalsContact OD1-CB 3.24Å; D206-S321 WeakPolarHBondContact OD1-CB 3.45Å; D206-S321 PolarHBondContact OD1-OG 2.89Å; D206-S323 VanDerWaalsContact CG-OG 3.28Å; D206-S323 PolarHBondContact OD1-OG 3.42Å; D206-S323 PolarHBondContact OD2-OG 2.93Å; D206-Q324 PolarHBondContact OD1-NE2 3.41Å; D206-W443 HydrophobicContact CB-CH2 4.45Å; D206-W443 HydrophobicContact CB-CZ3 3.93Å
207C93.1Very high90.2Very high0 Ų041 Ų410%020%0.204CC..Hα-helixtrans-70.2-36.7177.2-63.50000111.5A186 G203 I204 E205 V209 L210 E211A186-C207 HydrophobicContact CB-CB 3.88Å; A186-C207 WeakPolarHBondContact O-CB 3.49Å; G203-C207 PolarHBondContact O-N 2.94Å; I204-C207 PolarHBondContact O-N 3.37Å; E205-C207 VanDerWaalsContact C-N 3.33Å; E205-C207 PolarHBondContact O-N 3.1Å; C207-V209 VanDerWaalsContact C-N 3.34Å; C207-V209 PolarHBondContact O-N 2.82Å; C207-L210 PolarHBondContact O-N 2.87Å; C207-E211 PolarHBondContact O-N 2.9Å
208L96.6Very high90.8Very high15 Ų1544.5 Ų44.58%0.07922%0.219CC..Hα-helixtrans-62.8-40.3177.4-177.663.6000111.8L182 A186 I204 E205 L210 E211 L212 M301L182-L208 HydrophobicContact CB-CD1 4.05Å; A186-L208 HydrophobicContact CB-CB 4.09Å; A186-L208 HydrophobicContact CB-CD1 4.39Å; I204-L208 WeakPolarHBondContact O-CB 3.45Å; I204-L208 PolarHBondContact O-N 3.42Å; E205-L208 WeakPolarHBondContact O-CB 3.5Å; E205-L208 PolarHBondContact O-N 2.73Å; L208-L210 VanDerWaalsContact C-N 3.28Å; L208-L210 PolarHBondContact O-N 3.39Å; L208-E211 PolarHBondContact O-N 3.08Å; L208-L212 VanDerWaalsContact O-CB 3.26Å; L208-L212 WeakPolarHBondContact O-CB 3.45Å; L208-L212 PolarHBondContact O-N 3.37Å; L208-M301 HydrophobicContact CD1-CE 3.67Å; L208-M301 HydrophobicContact CD2-CE 3.74Å; L208-M301 HydrophobicContact CG-CE 4.02Å
209V96.8Very high91.3Very high3 Ų344 Ų442%0.01821%0.211CC..Hα-helixtrans-56.8-43.9174166.50000111.2E205 C207 L212 L213 L303 I319E205-V209 WeakPolarHBondContact O-CG2 3.43Å; E205-V209 PolarHBondContact O-N 2.89Å; C207-V209 VanDerWaalsContact C-N 3.34Å; C207-V209 PolarHBondContact O-N 2.82Å; V209-L212 PolarHBondContact O-N 2.76Å; V209-L213 HydrophobicContact CG1-CD1 4.09Å; V209-L213 WeakPolarHBondContact O-CG 3.35Å; V209-L213 PolarHBondContact O-N 3.35Å; V209-L303 HydrophobicContact CG2-CD1 3.79Å; V209-L303 HydrophobicContact CG2-CD2 4.5Å; V209-I319 HydrophobicContact CB-CD1 4.37Å; V209-I319 HydrophobicContact CG1-CD1 3.78Å; V209-I319 HydrophobicContact CG2-CB 4.37Å; V209-I319 HydrophobicContact CG2-CD1 3.71Å; V209-I319 HydrophobicContact CG2-CG2 3.79Å
210L92.3Very high92.2Very high15 Ų1537.3 Ų37.38%0.07918%0.179CC..Hα-helixtrans-68.2-41.6-179.3-60.5175.2000112.1D206 C207 L208 L212 R214 C337 A446 R447D206-L210 WeakPolarHBondContact O-CG 3.3Å; C207-L210 PolarHBondContact O-N 2.87Å; L208-L210 VanDerWaalsContact C-N 3.28Å; L208-L210 PolarHBondContact O-N 3.39Å; L210-L212 VanDerWaalsContact C-N 3.34Å; L210-R214 WeakPolarHBondContact O-CB 3.49Å; L210-R214 PolarHBondContact O-N 3.02Å; L210-R214 VanDerWaalsContact O-N 3.09Å; L210-C337 HydrophobicContact CD2-CB 3.54Å; L210-A446 HydrophobicContact CD1-CB 3.54Å; L210-A446 WeakPolarHBondContact CD1-O 3.47Å; L210-R447 HydrophobicContact CD1-CG 4.4Å; L210-R447 HydrophobicContact CD2-CG 4.19Å
211E95.6Very high93Very high13 Ų1336.8 Ų36.86%0.06118%0.175CC..Hα-helixtrans-68.1-35.5174.8-66.1-51.1132.200112L182 K189 C207 L208 R214 W215L182-E211 HydrophobicContact CD2-CB 4.24Å; K189-E211 IonicContact NZ-OE1 2.76Å; K189-E211 PolarHBondContact NZ-OE1 3.19Å; C207-E211 PolarHBondContact O-N 2.9Å; L208-E211 PolarHBondContact O-N 3.08Å; E211-R214 PolarHBondContact O-N 2.97Å; E211-R214 IonicContact OE2-CZ 3.29Å; E211-R214 IonicContact OE2-NE 2.75Å; E211-R214 PolarHBondContact OE2-NE 3.35Å; E211-R214 IonicContact OE2-NH2 2.68Å; E211-R214 PolarHBondContact OE2-NH2 3.46Å; E211-W215 WeakPolarHBondContact O-CB 3.33Å; E211-W215 PolarHBondContact O-N 3.15Å
212L97.8Very high93.2Very high0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-67.1-44.2176.5-171.567.4000111.7I177 L182 L208 V209 L210 R214 W215 F216 F294 M301 L303I177-L212 HydrophobicContact CG2-CD1 4.19Å; L182-L212 HydrophobicContact CD1-CD1 3.85Å; L208-L212 VanDerWaalsContact O-CB 3.26Å; L208-L212 WeakPolarHBondContact O-CB 3.45Å; L208-L212 PolarHBondContact O-N 3.37Å; V209-L212 PolarHBondContact O-N 2.76Å; L210-L212 VanDerWaalsContact C-N 3.34Å; L212-R214 VanDerWaalsContact C-N 3.32Å; L212-R214 PolarHBondContact O-N 3.47Å; L212-W215 HydrophobicContact CD1-CE3 3.74Å; L212-W215 HydrophobicContact CD1-CZ3 3.96Å; L212-F216 VanDerWaalsContact O-CB 3.23Å; L212-F216 WeakPolarHBondContact O-CB 3.35Å; L212-F216 PolarHBondContact O-N 2.89Å; L212-F294 HydrophobicContact CD2-CE2 4.15Å; L212-F294 HydrophobicContact CD2-CZ 4.39Å; L212-F294 HydrophobicContact CG-CE2 3.91Å; L212-F294 HydrophobicContact CG-CZ 4.48Å; L212-M301 HydrophobicContact CD1-CG 4.44Å; L212-M301 HydrophobicContact CD2-CG 4.27Å; L212-L303 HydrophobicContact CD2-CD1 4.41Å
213L96.3Very high93.1Very high1 Ų138 Ų381%0.00519%0.186CC..Hα-helixtrans-58.1-45.9173.6-79.2166.6000111.2V209 F216 K217 F294 C330 N335 C337V209-L213 HydrophobicContact CG1-CD1 4.09Å; V209-L213 WeakPolarHBondContact O-CG 3.35Å; V209-L213 PolarHBondContact O-N 3.35Å; L213-F216 PolarHBondContact O-N 2.86Å; L213-K217 PolarHBondContact O-N 3.03Å; L213-K217 VanDerWaalsContact O-N 3.08Å; L213-F294 HydrophobicContact CD2-CE1 3.72Å; L213-F294 HydrophobicContact CD2-CE2 3.84Å; L213-F294 HydrophobicContact CD2-CZ 3.32Å; L213-F294 HydrophobicContact CG-CE1 4.38Å; L213-F294 HydrophobicContact CG-CE2 4.17Å; L213-F294 HydrophobicContact CG-CZ 3.62Å; L213-C330 HydrophobicContact CD1-CB 4.46Å; L213-C330 HydrophobicContact CD2-CB 4.44Å; L213-N335 VanDerWaalsContact C-OD1 3.23Å; L213-N335 VanDerWaalsContact CB-OD1 3.26Å; L213-N335 WeakPolarHBondContact CB-OD1 3.42Å; L213-C337 HydrophobicContact CD1-CB 3.76Å
214R92.3Very high92.7Very high85 Ų8537.5 Ų37.532%0.32118%0.179SC..Hα-helixtrans-61.6-53.1-180-173.217972.583.7-2.6111.4L210 E211 L212 F216 K217 Q218 N335L210-R214 WeakPolarHBondContact O-CB 3.49Å; L210-R214 PolarHBondContact O-N 3.02Å; L210-R214 VanDerWaalsContact O-N 3.09Å; E211-R214 PolarHBondContact O-N 2.97Å; E211-R214 IonicContact OE2-CZ 3.29Å; E211-R214 IonicContact OE2-NE 2.75Å; E211-R214 PolarHBondContact OE2-NE 3.35Å; E211-R214 IonicContact OE2-NH2 2.68Å; E211-R214 PolarHBondContact OE2-NH2 3.46Å; L212-R214 VanDerWaalsContact C-N 3.32Å; L212-R214 PolarHBondContact O-N 3.47Å; R214-F216 VanDerWaalsContact C-N 3.31Å; R214-F216 PolarHBondContact O-N 3.13Å; R214-K217 PolarHBondContact O-N 3.43Å; R214-Q218 VanDerWaalsContact CG-CD 3.48Å; R214-Q218 HydrophobicContact CG-CG 4.31Å; R214-Q218 VanDerWaalsContact O-CB 3.25Å; R214-Q218 WeakPolarHBondContact O-CB 3.44Å; R214-Q218 VanDerWaalsContact O-CG 3.31Å; R214-Q218 WeakPolarHBondContact O-CG 2.95Å; R214-Q218 PolarHBondContact O-N 3.43Å; R214-N335 WeakPolarHBondContact CA-OD1 3.26Å; R214-N335 PolarHBondContact N-OD1 2.82Å; R214-N335 VanDerWaalsContact N-OD1 3.17Å
215W96.9Very high91.9Very high18 Ų1839.1 Ų39.17%0.06819%0.189CC..Hα-helixtrans-58.3-43.5176.9165.876.5000111.9I177 P178 L182 E211 L212 K217 Q218 D219 F220I177-W215 HydrophobicContact CB-CH2 4.25Å; I177-W215 HydrophobicContact CG1-CH2 3.62Å; I177-W215 HydrophobicContact CG1-CZ2 4.42Å; I177-W215 HydrophobicContact CG1-CZ3 3.9Å; I177-W215 HydrophobicContact CG2-CZ3 4.48Å; P178-W215 HydrophobicContact CG-CD2 4.46Å; P178-W215 HydrophobicContact CG-CG 4.31Å; L182-W215 HydrophobicContact CD1-CB 4.35Å; L182-W215 HydrophobicContact CD1-CD2 4.38Å; L182-W215 HydrophobicContact CD1-CE3 4.48Å; L182-W215 HydrophobicContact CD1-CG 4.32Å; L182-W215 HydrophobicContact CD2-CB 3.84Å; L182-W215 HydrophobicContact CD2-CG 4.26Å; E211-W215 WeakPolarHBondContact O-CB 3.33Å; E211-W215 PolarHBondContact O-N 3.15Å; L212-W215 HydrophobicContact CD1-CE3 3.74Å; L212-W215 HydrophobicContact CD1-CZ3 3.96Å; W215-K217 PolarHBondContact O-N 3.1Å; W215-Q218 PolarHBondContact O-N 3.15Å; W215-D219 WeakPolarHBondContact O-CB 3.03Å; W215-D219 PolarHBondContact O-N 3.24Å; W215-F220 HydrophobicContact CD2-CB 4.11Å; W215-F220 HydrophobicContact CE3-CB 4.3Å; W215-F220 HydrophobicContact CH2-CB 3.83Å; W215-F220 AromaticContact CH2-CD1 3.66Å; W215-F220 HydrophobicContact CH2-CD1 3.66Å; W215-F220 AromaticContact CH2-CD2 3.78Å; W215-F220 HydrophobicContact CH2-CD2 3.78Å; W215-F220 HydrophobicContact CH2-CE1 4.14Å; W215-F220 HydrophobicContact CH2-CE2 4.26Å; W215-F220 AromaticContact CH2-CG 3.45Å; W215-F220 HydrophobicContact CH2-CG 3.45Å; W215-F220 VanDerWaalsContact CH2-CG 3.45Å; W215-F220 HydrophobicContact CH2-CZ 4.42Å; W215-F220 HydrophobicContact CZ2-CB 3.59Å; W215-F220 HydrophobicContact CZ2-CD1 4.21Å; W215-F220 AromaticContact CZ2-CD2 3.57Å; W215-F220 HydrophobicContact CZ2-CD2 3.57Å; W215-F220 HydrophobicContact CZ2-CE2 4.31Å; W215-F220 AromaticContact CZ2-CG 3.51Å; W215-F220 HydrophobicContact CZ2-CG 3.51Å; W215-F220 HydrophobicContact CZ3-CB 4.17Å; W215-F220 HydrophobicContact CZ3-CD1 4.05Å; W215-F220 HydrophobicContact CZ3-CG 4.1Å; W215-F220 PolarHBondContact O-N 2.85Å
216F97.3Very high91.2Very high0 Ų037.5 Ų37.50%019%0.185CC..Iπ-helixtrans-60.4-45.9-178.2-167.9-89000111.5L212 L213 R214 F220 F221 W290 C293 F294L212-F216 VanDerWaalsContact O-CB 3.23Å; L212-F216 WeakPolarHBondContact O-CB 3.35Å; L212-F216 PolarHBondContact O-N 2.89Å; L213-F216 PolarHBondContact O-N 2.86Å; R214-F216 VanDerWaalsContact C-N 3.31Å; R214-F216 PolarHBondContact O-N 3.13Å; F216-F220 AromaticContact CD2-CD1 3.64Å; F216-F220 HydrophobicContact CD2-CD1 3.64Å; F216-F220 HydrophobicContact CD2-CE1 4.29Å; F216-F220 AromaticContact CE2-CD1 3.63Å; F216-F220 HydrophobicContact CE2-CD1 3.63Å; F216-F220 AromaticContact CE2-CE1 3.9Å; F216-F220 HydrophobicContact CE2-CE1 3.9Å; F216-F220 HydrophobicContact CG-CD1 4.49Å; F216-F220 HydrophobicContact CZ-CD1 4.45Å; F216-F221 HydrophobicContact CD1-CB 3.87Å; F216-F221 HydrophobicContact CE1-CB 3.46Å; F216-F221 VanDerWaalsContact CE1-CB 3.46Å; F216-F221 HydrophobicContact CE1-CD1 4.13Å; F216-F221 HydrophobicContact CE1-CD2 4.2Å; F216-F221 AromaticContact CE1-CG 3.69Å; F216-F221 HydrophobicContact CE1-CG 3.69Å; F216-F221 HydrophobicContact CE2-CB 4.3Å; F216-F221 HydrophobicContact CE2-CD2 4.14Å; F216-F221 HydrophobicContact CE2-CG 4.4Å; F216-F221 HydrophobicContact CG-CB 4.43Å; F216-F221 HydrophobicContact CZ-CB 3.7Å; F216-F221 HydrophobicContact CZ-CD1 4.24Å; F216-F221 AromaticContact CZ-CD2 3.6Å; F216-F221 HydrophobicContact CZ-CD2 3.6Å; F216-F221 HydrophobicContact CZ-CE2 4.25Å; F216-F221 AromaticContact CZ-CG 3.59Å; F216-F221 HydrophobicContact CZ-CG 3.59Å; F216-F221 WeakPolarHBondContact O-CB 3.12Å; F216-F221 PolarHBondContact O-N 3.3Å; F216-W290 AromaticContact CD1-CE3 3.75Å; F216-W290 HydrophobicContact CD1-CE3 3.75Å; F216-W290 AromaticContact CD1-CZ3 3.84Å; F216-W290 HydrophobicContact CD1-CZ3 3.84Å; F216-W290 HydrophobicContact CE1-CB 4.47Å; F216-W290 HydrophobicContact CE1-CD2 4.09Å; F216-W290 AromaticContact CE1-CE3 3.51Å; F216-W290 HydrophobicContact CE1-CE3 3.51Å; F216-W290 HydrophobicContact CE1-CZ3 4.01Å; F216-C293 HydrophobicContact CE2-CB 4.22Å; F216-C293 HydrophobicContact CZ-CB 3.96Å; F216-F294 HydrophobicContact CB-CD2 3.82Å; F216-F294 HydrophobicContact CB-CE2 4.1Å; F216-F294 HydrophobicContact CD1-CB 4.35Å; F216-F294 HydrophobicContact CD1-CD2 4.06Å; F216-F294 HydrophobicContact CD2-CB 4.28Å; F216-F294 AromaticContact CD2-CD2 3.73Å; F216-F294 HydrophobicContact CD2-CD2 3.73Å; F216-F294 HydrophobicContact CE1-CB 4.07Å; F216-F294 HydrophobicContact CE2-CB 3.98Å; F216-F294 HydrophobicContact CE2-CD2 4.29Å; F216-F294 HydrophobicContact CG-CB 4.46Å; F216-F294 AromaticContact CG-CD2 3.6Å; F216-F294 HydrophobicContact CG-CD2 3.6Å; F216-F294 HydrophobicContact CG-CE2 4.37Å; F216-F294 HydrophobicContact CG-CG 4.47Å; F216-F294 HydrophobicContact CZ-CB 3.88Å
217K88.8Confident91.1Very high58 Ų5837.8 Ų37.825%0.25219%0.187SC..Iπ-helixtrans-76.7-37.6-179.8-176.3179.5174.771.20113.9L213 R214 W215 W290 C333 N335L213-K217 PolarHBondContact O-N 3.03Å; L213-K217 VanDerWaalsContact O-N 3.08Å; R214-K217 PolarHBondContact O-N 3.43Å; W215-K217 PolarHBondContact O-N 3.1Å; K217-W290 HydrophobicContact CB-CH2 4.28Å; K217-W290 HydrophobicContact CB-CZ3 3.95Å; K217-W290 HydrophobicContact CG-CH2 4.03Å; K217-W290 HydrophobicContact CG-CZ3 4.05Å; K217-C333 PolarHBondContact NZ-O 2.95Å; K217-N335 HydrophobicContact CB-CB 4.13Å; K217-N335 HydrophobicContact CD-CB 3.36Å; K217-N335 HydrophobicContact CG-CB 4.36Å
218Q87.9Confident90.9Very high100 Ų10041.4 Ų41.447%0.46721%0.21SC..Iπ-helixtrans-89.7-37.6-170.6-65.7-178.8-10.900112.7R214 W215R214-Q218 VanDerWaalsContact CG-CD 3.48Å; R214-Q218 HydrophobicContact CG-CG 4.31Å; R214-Q218 VanDerWaalsContact O-CB 3.25Å; R214-Q218 WeakPolarHBondContact O-CB 3.44Å; R214-Q218 VanDerWaalsContact O-CG 3.31Å; R214-Q218 WeakPolarHBondContact O-CG 2.95Å; R214-Q218 PolarHBondContact O-N 3.43Å; W215-Q218 PolarHBondContact O-N 3.15Å
219D88.4Confident90.8Very high107 Ų10740.9 Ų40.957%0.57221%0.208SC*.Iπ-helixtrans-116.5-32.5-167.1-55.2-65.6000112.9W215W215-D219 WeakPolarHBondContact O-CB 3.03Å; W215-D219 PolarHBondContact O-N 3.24Å
220F96.3Very high90.6Very high9 Ų945.1 Ų45.14%0.03924%0.238CC..Iπ-helixtrans-100.9-49.7-167.3-175.1-118.7000114.7I176 W215 F216 L280 R283I176-F220 HydrophobicContact CG2-CD2 4.1Å; I176-F220 HydrophobicContact CG2-CE2 3.3Å; I176-F220 HydrophobicContact CG2-CZ 3.85Å; W215-F220 HydrophobicContact CD2-CB 4.11Å; W215-F220 HydrophobicContact CE3-CB 4.3Å; W215-F220 HydrophobicContact CH2-CB 3.83Å; W215-F220 AromaticContact CH2-CD1 3.66Å; W215-F220 HydrophobicContact CH2-CD1 3.66Å; W215-F220 AromaticContact CH2-CD2 3.78Å; W215-F220 HydrophobicContact CH2-CD2 3.78Å; W215-F220 HydrophobicContact CH2-CE1 4.14Å; W215-F220 HydrophobicContact CH2-CE2 4.26Å; W215-F220 AromaticContact CH2-CG 3.45Å; W215-F220 HydrophobicContact CH2-CG 3.45Å; W215-F220 VanDerWaalsContact CH2-CG 3.45Å; W215-F220 HydrophobicContact CH2-CZ 4.42Å; W215-F220 HydrophobicContact CZ2-CB 3.59Å; W215-F220 HydrophobicContact CZ2-CD1 4.21Å; W215-F220 AromaticContact CZ2-CD2 3.57Å; W215-F220 HydrophobicContact CZ2-CD2 3.57Å; W215-F220 HydrophobicContact CZ2-CE2 4.31Å; W215-F220 AromaticContact CZ2-CG 3.51Å; W215-F220 HydrophobicContact CZ2-CG 3.51Å; W215-F220 HydrophobicContact CZ3-CB 4.17Å; W215-F220 HydrophobicContact CZ3-CD1 4.05Å; W215-F220 HydrophobicContact CZ3-CG 4.1Å; W215-F220 PolarHBondContact O-N 2.85Å; F216-F220 AromaticContact CD2-CD1 3.64Å; F216-F220 HydrophobicContact CD2-CD1 3.64Å; F216-F220 HydrophobicContact CD2-CE1 4.29Å; F216-F220 AromaticContact CE2-CD1 3.63Å; F216-F220 HydrophobicContact CE2-CD1 3.63Å; F216-F220 AromaticContact CE2-CE1 3.9Å; F216-F220 HydrophobicContact CE2-CE1 3.9Å; F216-F220 HydrophobicContact CG-CD1 4.49Å; F216-F220 HydrophobicContact CZ-CD1 4.45Å; F220-L280 HydrophobicContact CE1-CD2 4.32Å; F220-L280 HydrophobicContact CZ-CD2 3.96Å; F220-R283 HydrophobicContact CD2-CG 4.34Å; F220-R283 HydrophobicContact CE2-CG 3.81Å; F220-R283 VanDerWaalsContact CE2-NE 3.3Å; F220-R283 HydrophobicContact CZ-CG 4.01Å; F220-R283 WeakPolarHBondContact O-CB 3.38Å
221F94.5Very high90.7Very high4 Ų451.2 Ų51.22%0.01827%0.266CS..  trans-119.8141.9-167.4-141.8-93.8000111.7F216 L279 R283 E289 W290 C293F216-F221 HydrophobicContact CD1-CB 3.87Å; F216-F221 HydrophobicContact CE1-CB 3.46Å; F216-F221 VanDerWaalsContact CE1-CB 3.46Å; F216-F221 HydrophobicContact CE1-CD1 4.13Å; F216-F221 HydrophobicContact CE1-CD2 4.2Å; F216-F221 AromaticContact CE1-CG 3.69Å; F216-F221 HydrophobicContact CE1-CG 3.69Å; F216-F221 HydrophobicContact CE2-CB 4.3Å; F216-F221 HydrophobicContact CE2-CD2 4.14Å; F216-F221 HydrophobicContact CE2-CG 4.4Å; F216-F221 HydrophobicContact CG-CB 4.43Å; F216-F221 HydrophobicContact CZ-CB 3.7Å; F216-F221 HydrophobicContact CZ-CD1 4.24Å; F216-F221 AromaticContact CZ-CD2 3.6Å; F216-F221 HydrophobicContact CZ-CD2 3.6Å; F216-F221 HydrophobicContact CZ-CE2 4.25Å; F216-F221 AromaticContact CZ-CG 3.59Å; F216-F221 HydrophobicContact CZ-CG 3.59Å; F216-F221 WeakPolarHBondContact O-CB 3.12Å; F216-F221 PolarHBondContact O-N 3.3Å; F221-L279 HydrophobicContact CE2-CB 4.2Å; F221-L279 WeakPolarHBondContact CE2-O 3.38Å; F221-L279 HydrophobicContact CZ-CB 4.31Å; F221-R283 CarbonylContact C-O 3.59Å; F221-R283 WeakPolarHBondContact CA-O 3.45Å; F221-R283 HydrophobicContact CD2-CB 4.49Å; F221-E289 HydrophobicContact CE1-CB 4.18Å; F221-E289 HydrophobicContact CZ-CB 4.1Å; F221-W290 HydrophobicContact CB-CH2 4.3Å; F221-W290 HydrophobicContact CB-CZ2 4.39Å; F221-W290 HydrophobicContact CB-CZ3 4.4Å; F221-W290 AromaticContact CD1-CD1 3.6Å; F221-W290 AromaticContact CD1-CD2 3.74Å; F221-W290 HydrophobicContact CD1-CD2 3.74Å; F221-W290 AromaticContact CD1-CE2 3.57Å; F221-W290 HydrophobicContact CD1-CE3 4.44Å; F221-W290 AromaticContact CD1-CG 3.8Å; F221-W290 HydrophobicContact CD1-CG 3.8Å; F221-W290 HydrophobicContact CD1-CZ2 4.13Å; F221-W290 AromaticContact CD1-NE1 3.51Å; F221-W290 AromaticContact CE1-CD1 3.56Å; F221-W290 HydrophobicContact CE1-CD2 4.4Å; F221-W290 AromaticContact CE1-CG 3.98Å; F221-W290 HydrophobicContact CE1-CG 3.98Å; F221-W290 AromaticContact CE1-NE1 3.82Å; F221-W290 WeakPolarHBondContact O-CH2 3.47Å; F221-C293 HydrophobicContact CE2-CB 3.9Å; F221-C293 HydrophobicContact CZ-CB 4.33Å
222S89.1Confident90.6Very high73 Ų7354 Ų5451%0.5129%0.286SS..EExtended strand (participates in β ladder)trans-120.7143.2-174.6-66.10000113.1R283 R284 G285 W290S222-R283 PolarHBondContact N-O 2.82Å; S222-R284 CarbonylContact O-C 3.58Å; S222-R284 WeakPolarHBondContact O-CA 3.15Å; S222-G285 PolarHBondContact O-N 3.02Å; S222-W290 PolarHBondContact O-NE1 3.39Å
223W83.9Confident90.4Very high127 Ų12756.5 Ų56.548%0.48131%0.312SS..EExtended strand (participates in β ladder)trans-76.7141.7176.3-176.4-96.9000110.6G285 R286 W290W223-G285 WeakPolarHBondContact CA-O 3.48Å; W223-R286 HydrophobicContact CH2-CB 3.77Å; W223-R286 HydrophobicContact CH2-CG 4.09Å; W223-R286 HydrophobicContact CZ2-CB 4.19Å; W223-R286 HydrophobicContact CZ2-CG 3.98Å; W223-R286 HydrophobicContact CZ3-CB 4Å; W223-W290 HydrophobicContact CB-CZ2 4.31Å; W223-W290 AromaticContact CE3-NE1 3.81Å
224V81.3Confident90.1Very high8 Ų857.5 Ų57.55%0.04832%0.322CS..  trans-125112.6175.5-179.10000109.8L227 F270 R284 G285 R286V224-L227 HydrophobicContact CB-CD2 4.48Å; V224-L227 HydrophobicContact CG1-CD2 3.58Å; V224-L227 HydrophobicContact CG1-CG 3.83Å; V224-L227 HydrophobicContact CG2-CD2 4.01Å; V224-F270 HydrophobicContact CB-CE1 4.27Å; V224-F270 HydrophobicContact CB-CE2 4.24Å; V224-F270 HydrophobicContact CB-CZ 3.83Å; V224-F270 HydrophobicContact CG1-CD1 4.23Å; V224-F270 HydrophobicContact CG1-CD2 4.38Å; V224-F270 HydrophobicContact CG1-CE1 3.87Å; V224-F270 HydrophobicContact CG1-CE2 4.03Å; V224-F270 HydrophobicContact CG1-CG 4.48Å; V224-F270 HydrophobicContact CG1-CZ 3.77Å; V224-F270 HydrophobicContact CG2-CE2 4.31Å; V224-F270 HydrophobicContact CG2-CZ 4.33Å; V224-R284 HydrophobicContact CG2-CB 3.66Å; V224-R284 HydrophobicContact CG2-CG 3.78Å; V224-G285 PolarHBondContact N-O 3.5Å; V224-R286 VanDerWaalsContact O-CG 3.27Å; V224-R286 WeakPolarHBondContact O-CG 3.46Å; V224-R286 PolarHBondContact O-NE 2.92Å
225D76.1Confident89.9Confident104 Ų10459.2 Ų59.256%0.55634%0.344SS*.SBendtrans-90.7-66163.8-172.435.3000110.1R286D225-R286 PolarHBondContact O-NH2 2.86Å
226C81.6Confident89.6Confident45 Ų4559 Ų5930%0.30435%0.345SS..SBendtrans-126.7135.8167.7-76.10000110.1H238C226-H238 PolarHBondContact SG-NE2 3.28Å
227L89.4Confident89.2Confident9 Ų965 Ų655%0.04737%0.371CS..PPolyproline II helixtrans-75.3142.1175.8-68.7178.2000110.6V224 T236 H259 T268 F270V224-L227 HydrophobicContact CB-CD2 4.48Å; V224-L227 HydrophobicContact CG1-CD2 3.58Å; V224-L227 HydrophobicContact CG1-CG 3.83Å; V224-L227 HydrophobicContact CG2-CD2 4.01Å; L227-T236 WeakPolarHBondContact O-CB 3.46Å; L227-T236 WeakPolarHBondContact O-CG2 3.22Å; L227-T236 PolarHBondContact O-OG1 3.14Å; L227-H259 HydrophobicContact CB-CB 4.41Å; L227-H259 VanDerWaalsContact CB-ND1 3.31Å; L227-H259 WeakPolarHBondContact CB-ND1 3.41Å; L227-H259 WeakPolarHBondContact CG-ND1 3.31Å; L227-H259 PolarHBondContact N-CE1 3.02Å; L227-H259 PolarHBondContact N-ND1 2.87Å; L227-T268 HydrophobicContact CB-CG2 4Å; L227-T268 HydrophobicContact CD1-CG2 4.04Å; L227-F270 HydrophobicContact CD1-CB 3.71Å; L227-F270 HydrophobicContact CD1-CD2 3.82Å; L227-F270 HydrophobicContact CD1-CG 4.01Å; L227-F270 HydrophobicContact CG-CB 4.35Å; L227-F270 HydrophobicContact CG-CD2 4.28Å; L227-F270 HydrophobicContact CG-CG 4.36Å
228P90Very high89.2Confident76 Ų7667.5 Ų67.549%0.49438%0.383SS..PPolyproline II helixtrans-64.3154.2170.629-34.4000110.8S230 G233 G234P228-S230 PolarHBondContact O-N 3.27Å; P228-G233 WeakPolarHBondContact CB-O 3.5Å; P228-G234 WeakPolarHBondContact CA-O 3.15Å
229C94Very high89.3Confident4 Ų464 Ų643%0.02738%0.375CS..PPolyproline II helixtrans-58.3129.4177.1179.10000110.6Q231 C232 G233 G234 T236 C261C229-Q231 PolarHBondContact O-N 3.07Å; C229-Q231 VanDerWaalsContact O-N 3.11Å; C229-C232 VanDerWaalsContact CB-SG 3.52Å; C229-C232 VanDerWaalsContact SG-SG 3.65Å; C229-G233 VanDerWaalsContact O-CA 3.29Å; C229-G233 WeakPolarHBondContact O-CA 3.46Å; C229-G233 PolarHBondContact O-N 2.78Å; C229-G234 PolarHBondContact N-O 3.02Å; C229-T236 HydrophobicContact CB-CG2 4.12Å; C229-C261 HydrophobicContact CB-CB 3.74Å; C229-C261 VanDerWaalsContact SG-CB 3.53Å; C229-C261 VanDerWaalsContact SG-SG 3.67Å
230S92.8Very high89.4Confident92 Ų9264.1 Ų64.164%0.64338%0.381SS*.THydrogen-bonded Turntrans-63.6-16.6-18060.10000114.5P228 L266 T268P228-S230 PolarHBondContact O-N 3.27Å; S230-L266 WeakPolarHBondContact OG-CD2 3.21Å; S230-T268 PolarHBondContact N-OG1 3.34Å
231Q94.5Very high89Confident143 Ų14367.5 Ų67.567%0.66841%0.411SS*.THydrogen-bonded Turntrans-100.9-49.1-179.3-173.9175.7-3.500113.1C229 L266C229-Q231 PolarHBondContact O-N 3.07Å; C229-Q231 VanDerWaalsContact O-N 3.11Å; Q231-L266 HydrophobicContact CB-CD2 3.77Å
232C93.6Very high89Confident71 Ų7169.5 Ų69.548%0.4842%0.421SS..THydrogen-bonded Turntrans-105.8-7.2-175.170.20000114.7C229 G234 C264C229-C232 VanDerWaalsContact CB-SG 3.52Å; C229-C232 VanDerWaalsContact SG-SG 3.65Å; C232-G234 PolarHBondContact O-N 3.33Å; C232-G234 VanDerWaalsContact O-N 3.1Å; C232-G234 PolarHBondContact SG-N 2.98Å; C232-G234 VanDerWaalsContact SG-N 3.37Å; C232-C264 VanDerWaalsContact CB-SG 3.58Å; C232-C264 PolarHBondContact SG-SG 3.44Å
233G92.8Very high89.2Confident53 Ų5368.8 Ų68.855%0.54643%0.425SS..  trans69.4-1.5-174.300000115P228 C229P228-G233 WeakPolarHBondContact CB-O 3.5Å; C229-G233 VanDerWaalsContact O-CA 3.29Å; C229-G233 WeakPolarHBondContact O-CA 3.46Å; C229-G233 PolarHBondContact O-N 2.78Å
234G89.9Confident89.8Confident21 Ų2164.8 Ų64.822%0.21642%0.416CS..  trans-73.1171.2-179.200000114P228 C229 C232P228-G234 WeakPolarHBondContact CA-O 3.15Å; C229-G234 PolarHBondContact N-O 3.02Å; C232-G234 PolarHBondContact O-N 3.33Å; C232-G234 VanDerWaalsContact O-N 3.1Å; C232-G234 PolarHBondContact SG-N 2.98Å; C232-G234 VanDerWaalsContact SG-N 3.37Å
235P87.8Confident90.5Very high121 Ų12167.2 Ų67.279%0.78643%0.431SS*.  trans-65.7152-17928.6-35.3000112.2
236T92.3Very high91.4Very high15 Ų1566.4 Ų66.49%0.09244%0.438CS..  trans-124.4168.3177.363.10000110.6L227 C229 H259 Y260 C261L227-T236 WeakPolarHBondContact O-CB 3.46Å; L227-T236 WeakPolarHBondContact O-CG2 3.22Å; L227-T236 PolarHBondContact O-OG1 3.14Å; C229-T236 HydrophobicContact CB-CG2 4.12Å; T236-H259 HydrophobicContact CG2-CB 4.41Å; T236-H259 WeakPolarHBondContact OG1-CB 3.32Å; T236-Y260 WeakPolarHBondContact CA-O 3.49Å; T236-C261 HydrophobicContact CG2-CB 4.2Å
237K89Confident92.1Very high126 Ų12670 Ų7055%0.54845%0.451SS..EExtended strand (participates in β ladder)trans-128.7158.1173.9-66.8-179.8178.6172.50110.3G239 H259 Y260K237-G239 PolarHBondContact O-N 2.73Å; K237-H259 CarbonylContact O-C 3.51Å; K237-Y260 PolarHBondContact N-O 3.05Å; K237-Y260 PolarHBondContact O-N 2.99Å
238H87.7Confident92.4Very high109 Ų10970.3 Ų70.351%0.50545%0.452SS..EExtended strand (participates in β ladder)trans-62.7119.3173.5-69.5-77.5000111.2C226 E257 N258 H259C226-H238 PolarHBondContact SG-NE2 3.28Å; H238-E257 IonicContact CE1-OE2 2.78Å; H238-N258 WeakPolarHBondContact CA-O 3.31Å; H238-H259 AromaticContact CE1-NE2 3.71Å; H238-H259 AromaticContact ND1-CD2 3.92Å; H238-H259 AromaticContact ND1-NE2 3.96Å
239G89.5Confident92.6Very high28 Ų2870.3 Ų70.329%0.28945%0.447SS..EExtended strand (participates in β ladder)trans-98.8-176.2166.900000111.8K237 A241 N258K237-G239 PolarHBondContact O-N 2.73Å; G239-A241 PolarHBondContact O-N 3.43Å; G239-N258 PolarHBondContact N-O 2.91Å
240P90.8Very high92.6Very high109 Ų10979.6 Ų79.671%0.70848%0.482SS*.EExtended strand (participates in β ladder)trans-56.8136.6173.1-22.133.1000111N258P240-N258 WeakPolarHBondContact O-CB 3.4Å; P240-N258 PolarHBondContact O-ND2 3.36Å
241A89.1Confident92.7Very high80 Ų8077.1 Ų77.166%0.66146%0.458SS*.EExtended strand (participates in β ladder)trans-55.4145.2178.700000111.3G239G239-A241 PolarHBondContact O-N 3.43Å
242L93.7Very high92.7Very high46 Ų4671.6 Ų71.624%0.24144%0.439CS..EExtended strand (participates in β ladder)trans-100.3148.9179.6-57.4171.5000109.4V256 N258 R269L242-V256 HydrophobicContact CB-CB 4.21Å; L242-V256 HydrophobicContact CB-CG1 4.15Å; L242-V256 PolarHBondContact N-O 2.82Å; L242-N258 HydrophobicContact CD1-CB 4.02Å; L242-N258 HydrophobicContact CD2-CB 4.37Å; L242-N258 HydrophobicContact CG-CB 3.89Å; L242-R269 HydrophobicContact CD1-CG 3.84Å
243G94.3Very high92.7Very high57 Ų5768.2 Ų68.259%0.58842%0.417SS*.PPolyproline II helixtrans-67.9140.3168.100000110.5R269G243-R269 PolarHBondContact O-NH2 3.23Å
244P96Very high92.6Very high44 Ų4472.8 Ų72.829%0.28642%0.424SS..PPolyproline II helixtrans-69143.3177.130.8-35.4000111.5E248 L249 A253 V256P244-E248 VanDerWaalsContact CA-OE2 3.3Å; P244-E248 WeakPolarHBondContact CA-OE2 3.35Å; P244-E248 HydrophobicContact CB-CB 4.21Å; P244-L249 HydrophobicContact CB-CD2 3.98Å; P244-L249 HydrophobicContact CB-CG 3.93Å; P244-L249 HydrophobicContact CG-CD1 4.36Å; P244-L249 HydrophobicContact CG-CD2 3.61Å; P244-L249 HydrophobicContact CG-CG 3.89Å; P244-A253 WeakPolarHBondContact CB-O 3.28Å; P244-V256 HydrophobicContact CB-CG2 3.87Å
245T95.6Very high92.8Very high59 Ų5978.5 Ų78.536%0.36244%0.439SS..PPolyproline II helixtrans-76.1165.9170.4710000110.8E247 E248 L249T245-E247 PolarHBondContact O-N 2.93Å; T245-E248 PolarHBondContact N-OE2 3.29Å; T245-E248 PolarHBondContact O-N 3Å; T245-E248 VanDerWaalsContact O-N 3.12Å; T245-E248 WeakPolarHBondContact OG1-CB 2.93Å; T245-E248 VanDerWaalsContact OG1-CG 3.25Å; T245-E248 WeakPolarHBondContact OG1-CG 2.68Å; T245-E248 PolarHBondContact OG1-N 3.49Å; T245-E248 VanDerWaalsContact OG1-N 3.14Å; T245-E248 PolarHBondContact OG1-OE2 3.28Å; T245-L249 WeakPolarHBondContact O-CG 3.21Å; T245-L249 PolarHBondContact O-N 3.3Å
246A95.6Very high93.2Very high86 Ų8672.8 Ų72.871%0.71140%0.402SS*.Hα-helixtrans-58.8-36175.200000112.6R250A246-R250 WeakPolarHBondContact O-CB 3.28Å; A246-R250 PolarHBondContact O-N 3.11Å; A246-R250 VanDerWaalsContact O-N 3.07Å
247E94.8Very high93.3Very high121 Ų12173.1 Ų73.157%0.56540%0.402SS*.Hα-helixtrans-69.1-41.5174.7-174179.9-176.500111.6T245 R250 W251T245-E247 PolarHBondContact O-N 2.93Å; E247-R250 WeakPolarHBondContact O-CB 3.06Å; E247-R250 PolarHBondContact O-N 3.16Å; E247-W251 VanDerWaalsContact O-CD1 3.24Å; E247-W251 PolarHBondContact O-N 3.15Å
248E96Very high93.6Very high15 Ų1567.5 Ų67.57%0.0738%0.378CS..Hα-helixtrans-63.6-42.9178-71.1164.1173.100111.2P244 T245 W251 G252 A253 V256 R269 P271 Y273P244-E248 VanDerWaalsContact CA-OE2 3.3Å; P244-E248 WeakPolarHBondContact CA-OE2 3.35Å; P244-E248 HydrophobicContact CB-CB 4.21Å; T245-E248 PolarHBondContact N-OE2 3.29Å; T245-E248 PolarHBondContact O-N 3Å; T245-E248 VanDerWaalsContact O-N 3.12Å; T245-E248 WeakPolarHBondContact OG1-CB 2.93Å; T245-E248 VanDerWaalsContact OG1-CG 3.25Å; T245-E248 WeakPolarHBondContact OG1-CG 2.68Å; T245-E248 PolarHBondContact OG1-N 3.49Å; T245-E248 VanDerWaalsContact OG1-N 3.14Å; T245-E248 PolarHBondContact OG1-OE2 3.28Å; E248-W251 CarbonylContact O-C 3.54Å; E248-W251 PolarHBondContact O-N 2.92Å; E248-G252 PolarHBondContact O-N 3.06Å; E248-A253 HydrophobicContact CB-CB 4.18Å; E248-A253 WeakPolarHBondContact O-CB 3.37Å; E248-A253 PolarHBondContact O-N 3.46Å; E248-V256 WeakPolarHBondContact OE2-CG2 3.33Å; E248-R269 IonicContact OE1-CZ 2.81Å; E248-R269 IonicContact OE1-NE 3.4Å; E248-R269 PolarHBondContact OE1-NE 3.45Å; E248-R269 IonicContact OE1-NH2 2.78Å; E248-R269 PolarHBondContact OE1-NH2 3.37Å; E248-R269 IonicContact OE2-CZ 3.45Å; E248-R269 IonicContact OE2-NE 3.51Å; E248-R269 IonicContact OE2-NH2 3.57Å; E248-R269 PolarHBondContact OE2-NH2 2.96Å; E248-P271 HydrophobicContact CB-CB 4.43Å; E248-P271 HydrophobicContact CG-CB 3.95Å; E248-P271 HydrophobicContact CG-CG 3.7Å; E248-P271 VanDerWaalsContact OE1-CG 3.27Å; E248-P271 WeakPolarHBondContact OE1-CG 3.24Å; E248-Y273 HydrophobicContact CG-CE1 4.46Å
249L94.5Very high93.9Very high77 Ų7762.3 Ų62.340%0.40335%0.354SS..Hα-helixtrans-62-41174.1-73.9172.9000112.6P244 T245 W251 G252P244-L249 HydrophobicContact CB-CD2 3.98Å; P244-L249 HydrophobicContact CB-CG 3.93Å; P244-L249 HydrophobicContact CG-CD1 4.36Å; P244-L249 HydrophobicContact CG-CD2 3.61Å; P244-L249 HydrophobicContact CG-CG 3.89Å; T245-L249 WeakPolarHBondContact O-CG 3.21Å; T245-L249 PolarHBondContact O-N 3.3Å; L249-W251 PolarHBondContact O-N 3.36Å; L249-G252 WeakPolarHBondContact O-CA 3.47Å; L249-G252 PolarHBondContact O-N 3.4Å
250R94.4Very high94.2Very high199 Ų19964.1 Ų64.175%0.75135%0.353SS*.Hα-helixtrans-57.1-34.3176.7-179.8-178.4176-173-0.5112.1A246 E247 G252A246-R250 WeakPolarHBondContact O-CB 3.28Å; A246-R250 PolarHBondContact O-N 3.11Å; A246-R250 VanDerWaalsContact O-N 3.07Å; E247-R250 WeakPolarHBondContact O-CB 3.06Å; E247-R250 PolarHBondContact O-N 3.16Å; R250-G252 VanDerWaalsContact C-N 3.3Å
251W95.8Very high94.5Very high40 Ų4059 Ų5915%0.15232%0.319CS..THydrogen-bonded Turntrans-93.116.8176.6-65.6114.6000113.5E247 E248 L249 A253 Y273 H275 E277 K278E247-W251 VanDerWaalsContact O-CD1 3.24Å; E247-W251 PolarHBondContact O-N 3.15Å; E248-W251 CarbonylContact O-C 3.54Å; E248-W251 PolarHBondContact O-N 2.92Å; L249-W251 PolarHBondContact O-N 3.36Å; W251-A253 PolarHBondContact O-N 2.76Å; W251-Y273 HydrophobicContact CB-CD1 3.48Å; W251-Y273 VanDerWaalsContact CB-CD1 3.48Å; W251-Y273 HydrophobicContact CB-CE1 3.65Å; W251-Y273 HydrophobicContact CG-CE1 4.42Å; W251-H275 HydrophobicContact CE3-CB 4.03Å; W251-H275 AromaticContact CE3-CG 3.83Å; W251-H275 AromaticContact CE3-ND1 3.62Å; W251-H275 AromaticContact CZ3-CE1 3.86Å; W251-H275 AromaticContact CZ3-ND1 3.57Å; W251-H275 VanDerWaalsContact O-CB 3.23Å; W251-H275 WeakPolarHBondContact O-CB 3.31Å; W251-H275 PolarHBondContact O-N 3.41Å; W251-H275 VanDerWaalsContact O-N 3.14Å; W251-E277 HydrophobicContact CZ3-CB 3.99Å; W251-E277 HydrophobicContact CZ3-CG 4.32Å; W251-K278 HydrophobicContact CB-CB 4.07Å; W251-K278 HydrophobicContact CB-CG 4.08Å; W251-K278 HydrophobicContact CD2-CB 3.91Å; W251-K278 HydrophobicContact CD2-CD 4.08Å; W251-K278 HydrophobicContact CD2-CG 4.22Å; W251-K278 HydrophobicContact CE3-CB 3.88Å; W251-K278 HydrophobicContact CG-CB 4.03Å; W251-K278 HydrophobicContact CG-CD 4.03Å; W251-K278 HydrophobicContact CG-CG 3.96Å
252G92.8Very high94.7Very high26 Ų2660.8 Ų60.827%0.26831%0.314SS..THydrogen-bonded Turntrans74.519.8173.600000114.7E248 L249 R250 Q254 N274E248-G252 PolarHBondContact O-N 3.06Å; L249-G252 WeakPolarHBondContact O-CA 3.47Å; L249-G252 PolarHBondContact O-N 3.4Å; R250-G252 VanDerWaalsContact C-N 3.3Å; G252-Q254 PolarHBondContact O-N 3.1Å; G252-N274 WeakPolarHBondContact O-CB 3.31Å; G252-N274 PolarHBondContact O-N 3.27Å
253A94.6Very high94.8Very high0 Ų064 Ų640%034%0.341CS..  trans-85.697.6173.900000111.2P244 E248 W251 P271 R272 Y273P244-A253 WeakPolarHBondContact CB-O 3.28Å; E248-A253 HydrophobicContact CB-CB 4.18Å; E248-A253 WeakPolarHBondContact O-CB 3.37Å; E248-A253 PolarHBondContact O-N 3.46Å; W251-A253 PolarHBondContact O-N 2.76Å; A253-P271 HydrophobicContact CB-CB 3.8Å; A253-R272 WeakPolarHBondContact CA-O 3.17Å; A253-Y273 HydrophobicContact CB-CD1 3.66Å; A253-Y273 HydrophobicContact CB-CE1 4Å; A253-Y273 HydrophobicContact CB-CG 4.36Å
254Q91.1Very high94.9Very high149 Ų14963.2 Ų63.270%0.69633%0.325SS*.  trans-79.2-21.5174.9-63.3-63.3-15.400112.9G252G252-Q254 PolarHBondContact O-N 3.1Å
255R93Very high94.9Very high141 Ų14167.2 Ų67.253%0.53234%0.34SS..  trans-127.2136.1-178.3-177.1175.163.8-170.8-4.8110.5R272R255-R272 WeakPolarHBondContact O-CB 3.44Å; R255-R272 PolarHBondContact O-N 3.19Å
256V96.3Very high94.8Very high1 Ų167.2 Ų67.21%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-125118.4174.2-172.80000109.8L242 P244 E248 R269 P271L242-V256 HydrophobicContact CB-CB 4.21Å; L242-V256 HydrophobicContact CB-CG1 4.15Å; L242-V256 PolarHBondContact N-O 2.82Å; P244-V256 HydrophobicContact CB-CG2 3.87Å; E248-V256 WeakPolarHBondContact OE2-CG2 3.33Å; V256-R269 HydrophobicContact CG1-CB 4.09Å; V256-P271 HydrophobicContact CG1-CG 4.17Å; V256-P271 HydrophobicContact CG2-CB 4.14Å; V256-P271 HydrophobicContact CG2-CG 4.44Å
257E94.8Very high94.8Very high22 Ų2265.4 Ų65.410%0.10332%0.32CS..EExtended strand (participates in β ladder)trans-80143.7174.8-65.7172.4-14900110H238 H259 F270 R272 R286H238-E257 IonicContact CE1-OE2 2.78Å; E257-H259 IonicContact OE2-NE2 3.42Å; E257-H259 PolarHBondContact OE2-NE2 3.17Å; E257-F270 HydrophobicContact CB-CB 4.18Å; E257-F270 HydrophobicContact CB-CD1 4.21Å; E257-F270 HydrophobicContact CG-CD1 4.49Å; E257-F270 PolarHBondContact N-O 3.38Å; E257-F270 PolarHBondContact O-N 2.88Å; E257-R272 WeakPolarHBondContact OE1-CD 3.48Å; E257-R272 IonicContact OE1-CZ 3.61Å; E257-R272 IonicContact OE1-NE 3.48Å; E257-R272 IonicContact OE1-NH1 3.21Å; E257-R272 PolarHBondContact OE1-NH1 2.9Å; E257-R286 VanDerWaalsContact CD-NH1 3.28Å; E257-R286 IonicContact OE1-CZ 2.95Å; E257-R286 IonicContact OE1-NH1 3.1Å; E257-R286 PolarHBondContact OE1-NH1 2.78Å; E257-R286 IonicContact OE1-NH2 3.63Å; E257-R286 IonicContact OE2-CZ 3.88Å; E257-R286 IonicContact OE2-NH1 3.39Å; E257-R286 PolarHBondContact OE2-NH1 3.22Å; E257-R286 VanDerWaalsContact OE2-NH1 3.11Å; E257-R286 IonicContact OE2-NH2 2.9Å; E257-R286 PolarHBondContact OE2-NH2 3.44Å
258N95.9Very high94.9Very high9 Ų960.4 Ų60.45%0.04830%0.298CS..EExtended strand (participates in β ladder)trans-100.4116.4172.8-170.7-0.4000109.9H238 G239 P240 L242 S267H238-N258 WeakPolarHBondContact CA-O 3.31Å; G239-N258 PolarHBondContact N-O 2.91Å; P240-N258 WeakPolarHBondContact O-CB 3.4Å; P240-N258 PolarHBondContact O-ND2 3.36Å; L242-N258 HydrophobicContact CD1-CB 4.02Å; L242-N258 HydrophobicContact CD2-CB 4.37Å; L242-N258 HydrophobicContact CG-CB 3.89Å; N258-S267 PolarHBondContact ND2-OG 2.82Å; N258-S267 WeakPolarHBondContact OD1-CB 3.29Å; N258-S267 PolarHBondContact OD1-OG 2.8Å
259H94.3Very high94.8Very high0 Ų063.9 Ų63.90%031%0.31CS..EExtended strand (participates in β ladder)trans-103.192.9173.9-65.2172000108L227 T236 K237 H238 E257 T268 F270L227-H259 HydrophobicContact CB-CB 4.41Å; L227-H259 VanDerWaalsContact CB-ND1 3.31Å; L227-H259 WeakPolarHBondContact CB-ND1 3.41Å; L227-H259 WeakPolarHBondContact CG-ND1 3.31Å; L227-H259 PolarHBondContact N-CE1 3.02Å; L227-H259 PolarHBondContact N-ND1 2.87Å; T236-H259 HydrophobicContact CG2-CB 4.41Å; T236-H259 WeakPolarHBondContact OG1-CB 3.32Å; K237-H259 CarbonylContact O-C 3.51Å; H238-H259 AromaticContact CE1-NE2 3.71Å; H238-H259 AromaticContact ND1-CD2 3.92Å; H238-H259 AromaticContact ND1-NE2 3.96Å; E257-H259 IonicContact OE2-NE2 3.42Å; E257-H259 PolarHBondContact OE2-NE2 3.17Å; H259-T268 WeakPolarHBondContact CB-O 3.38Å; H259-T268 PolarHBondContact N-O 3.19Å; H259-T268 WeakPolarHBondContact O-CB 3.48Å; H259-T268 PolarHBondContact O-N 3.2Å; H259-F270 AromaticContact CE1-CD1 3.47Å; H259-F270 VanDerWaalsContact CE1-CD1 3.47Å; H259-F270 WeakPolarHBondContact CE1-CD1 3.41Å; H259-F270 AromaticContact CE1-CG 3.7Å; H259-F270 AromaticContact NE2-CD1 3.88Å
260Y95.5Very high94.9Very high66 Ų6660.5 Ų60.526%0.25929%0.292SS..EExtended strand (participates in β ladder)trans-89.1127.2-169.8-169.4-99.6000112.1T236 K237 Q265 S267T236-Y260 WeakPolarHBondContact CA-O 3.49Å; K237-Y260 PolarHBondContact N-O 3.05Å; K237-Y260 PolarHBondContact O-N 2.99Å; Y260-Q265 VanDerWaalsContact OH-CA 3.29Å; Y260-Q265 WeakPolarHBondContact OH-CA 3.35Å; Y260-Q265 WeakPolarHBondContact OH-CB 3.43Å; Y260-Q265 VanDerWaalsContact OH-CD 3.24Å; Y260-Q265 PolarHBondContact OH-O 3.02Å; Y260-Q265 PolarHBondContact OH-OE1 3.49Å; Y260-S267 WeakPolarHBondContact CD2-OG 3.44Å
261C96.4Very high95Very high1 Ų151.8 Ų51.81%0.00726%0.261CS..EExtended strand (participates in β ladder)trans-92.4118.3175.1-175.70000110.5C229 T236 C264 Q265 L266C229-C261 HydrophobicContact CB-CB 3.74Å; C229-C261 VanDerWaalsContact SG-CB 3.53Å; C229-C261 VanDerWaalsContact SG-SG 3.67Å; T236-C261 HydrophobicContact CG2-CB 4.2Å; C261-C264 HydrophobicContact CB-CB 4.28Å; C261-C264 PolarHBondContact SG-N 3.4Å; C261-Q265 WeakPolarHBondContact O-CA 3.38Å; C261-Q265 PolarHBondContact O-N 3.37Å; C261-L266 PolarHBondContact N-O 3.42Å; C261-L266 PolarHBondContact O-N 3.17Å
262Q94.6Very high95Very high118 Ų11851.8 Ų51.855%0.55126%0.261SS*.THydrogen-bonded Turntrans-70-33.1178.8-65.8-175.6-32.500112.7Q265Q262-Q265 PolarHBondContact O-NE2 3.35Å
263S94.9Very high95.2Very high114 Ų11452 Ų5280%0.79725%0.254SS*.THydrogen-bonded Turntrans-72.7-41.2-179.4-52.90000112.7
264C96Very high95.2Very high39 Ų3955.7 Ų55.726%0.26427%0.274SS..THydrogen-bonded Turntrans-93-8.1179.7-62.60000113.3C232 C261 L266C232-C264 VanDerWaalsContact CB-SG 3.58Å; C232-C264 PolarHBondContact SG-SG 3.44Å; C261-C264 HydrophobicContact CB-CB 4.28Å; C261-C264 PolarHBondContact SG-N 3.4Å; C264-L266 HydrophobicContact CB-CB 3.92Å; C264-L266 PolarHBondContact O-N 3.05Å
265Q95.3Very high95.5Very high129 Ų12950.9 Ų50.960%0.60325%0.251SS*.THydrogen-bonded Turntrans51.335.4-170.4-62.9-72.6-67.100112.5Y260 C261 Q262Y260-Q265 VanDerWaalsContact OH-CA 3.29Å; Y260-Q265 WeakPolarHBondContact OH-CA 3.35Å; Y260-Q265 WeakPolarHBondContact OH-CB 3.43Å; Y260-Q265 VanDerWaalsContact OH-CD 3.24Å; Y260-Q265 PolarHBondContact OH-O 3.02Å; Y260-Q265 PolarHBondContact OH-OE1 3.49Å; C261-Q265 WeakPolarHBondContact O-CA 3.38Å; C261-Q265 PolarHBondContact O-N 3.37Å; Q262-Q265 PolarHBondContact O-NE2 3.35Å
266L95.3Very high95.7Very high58 Ų5844.2 Ų44.230%0.30423%0.226SC..EExtended strand (participates in β ladder)trans-116.8137-170.6-173.767.3000111.3S230 Q231 C261 C264S230-L266 WeakPolarHBondContact OG-CD2 3.21Å; Q231-L266 HydrophobicContact CB-CD2 3.77Å; C261-L266 PolarHBondContact N-O 3.42Å; C261-L266 PolarHBondContact O-N 3.17Å; C264-L266 HydrophobicContact CB-CB 3.92Å; C264-L266 PolarHBondContact O-N 3.05Å
267S95.6Very high95.8Very high49 Ų4946.7 Ų46.734%0.34324%0.238SC..EExtended strand (participates in β ladder)trans-89.8120.8175.2-640000110.9N258 Y260N258-S267 PolarHBondContact ND2-OG 2.82Å; N258-S267 WeakPolarHBondContact OD1-CB 3.29Å; N258-S267 PolarHBondContact OD1-OG 2.8Å; Y260-S267 WeakPolarHBondContact CD2-OG 3.44Å
268T95.2Very high95.9Very high15 Ų1546.4 Ų46.49%0.09224%0.236CC..EExtended strand (participates in β ladder)trans-95.7121.3168.8-56.10000108.5L227 S230 H259L227-T268 HydrophobicContact CB-CG2 4Å; L227-T268 HydrophobicContact CD1-CG2 4.04Å; S230-T268 PolarHBondContact N-OG1 3.34Å; H259-T268 WeakPolarHBondContact CB-O 3.38Å; H259-T268 PolarHBondContact N-O 3.19Å; H259-T268 WeakPolarHBondContact O-CB 3.48Å; H259-T268 PolarHBondContact O-N 3.2Å
269R95.4Very high96.1Very high88 Ų8846 Ų4633%0.33223%0.234SC..EExtended strand (participates in β ladder)trans-82.1134.1-177-55.2179.466.285.10.4110.2L242 G243 E248 V256L242-R269 HydrophobicContact CD1-CG 3.84Å; G243-R269 PolarHBondContact O-NH2 3.23Å; E248-R269 IonicContact OE1-CZ 2.81Å; E248-R269 IonicContact OE1-NE 3.4Å; E248-R269 PolarHBondContact OE1-NE 3.45Å; E248-R269 IonicContact OE1-NH2 2.78Å; E248-R269 PolarHBondContact OE1-NH2 3.37Å; E248-R269 IonicContact OE2-CZ 3.45Å; E248-R269 IonicContact OE2-NE 3.51Å; E248-R269 IonicContact OE2-NH2 3.57Å; E248-R269 PolarHBondContact OE2-NH2 2.96Å; V256-R269 HydrophobicContact CG1-CB 4.09Å
270F96.2Very high96.3Very high7 Ų746.1 Ų46.13%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-124.487.7171-178.8-131.7000110.8V224 L227 E257 H259V224-F270 HydrophobicContact CB-CE1 4.27Å; V224-F270 HydrophobicContact CB-CE2 4.24Å; V224-F270 HydrophobicContact CB-CZ 3.83Å; V224-F270 HydrophobicContact CG1-CD1 4.23Å; V224-F270 HydrophobicContact CG1-CD2 4.38Å; V224-F270 HydrophobicContact CG1-CE1 3.87Å; V224-F270 HydrophobicContact CG1-CE2 4.03Å; V224-F270 HydrophobicContact CG1-CG 4.48Å; V224-F270 HydrophobicContact CG1-CZ 3.77Å; V224-F270 HydrophobicContact CG2-CE2 4.31Å; V224-F270 HydrophobicContact CG2-CZ 4.33Å; L227-F270 HydrophobicContact CD1-CB 3.71Å; L227-F270 HydrophobicContact CD1-CD2 3.82Å; L227-F270 HydrophobicContact CD1-CG 4.01Å; L227-F270 HydrophobicContact CG-CB 4.35Å; L227-F270 HydrophobicContact CG-CD2 4.28Å; L227-F270 HydrophobicContact CG-CG 4.36Å; E257-F270 HydrophobicContact CB-CB 4.18Å; E257-F270 HydrophobicContact CB-CD1 4.21Å; E257-F270 HydrophobicContact CG-CD1 4.49Å; E257-F270 PolarHBondContact N-O 3.38Å; E257-F270 PolarHBondContact O-N 2.88Å; H259-F270 AromaticContact CE1-CD1 3.47Å; H259-F270 VanDerWaalsContact CE1-CD1 3.47Å; H259-F270 WeakPolarHBondContact CE1-CD1 3.41Å; H259-F270 AromaticContact CE1-CG 3.7Å; H259-F270 AromaticContact NE2-CD1 3.88Å
271P96.9Very high96.3Very high15 Ų1548.8 Ų48.810%0.09725%0.25CC..EExtended strand (participates in β ladder)trans-70132.6176.3-17.633000111E248 A253 V256 Y273E248-P271 HydrophobicContact CB-CB 4.43Å; E248-P271 HydrophobicContact CG-CB 3.95Å; E248-P271 HydrophobicContact CG-CG 3.7Å; E248-P271 VanDerWaalsContact OE1-CG 3.27Å; E248-P271 WeakPolarHBondContact OE1-CG 3.24Å; A253-P271 HydrophobicContact CB-CB 3.8Å; V256-P271 HydrophobicContact CG1-CG 4.17Å; V256-P271 HydrophobicContact CG2-CB 4.14Å; V256-P271 HydrophobicContact CG2-CG 4.44Å; P271-Y273 HydrophobicContact CB-CD1 4.41Å; P271-Y273 HydrophobicContact CB-CD2 4.31Å; P271-Y273 HydrophobicContact CB-CE1 3.94Å; P271-Y273 HydrophobicContact CB-CE2 3.84Å; P271-Y273 HydrophobicContact CG-CE2 4.17Å; P271-Y273 PolarHBondContact O-N 3.11Å
272R95.4Very high96.4Very high40 Ų4050.4 Ų50.415%0.15126%0.259CS..  trans-87.878.8177.3-59.9-59.4-58.9-82.9-2.9109.7A253 R255 E257 E289A253-R272 WeakPolarHBondContact CA-O 3.17Å; R255-R272 WeakPolarHBondContact O-CB 3.44Å; R255-R272 PolarHBondContact O-N 3.19Å; E257-R272 WeakPolarHBondContact OE1-CD 3.48Å; E257-R272 IonicContact OE1-CZ 3.61Å; E257-R272 IonicContact OE1-NE 3.48Å; E257-R272 IonicContact OE1-NH1 3.21Å; E257-R272 PolarHBondContact OE1-NH1 2.9Å; R272-E289 IonicContact CZ-OE1 2.92Å; R272-E289 IonicContact CZ-OE2 3.41Å; R272-E289 IonicContact NE-OE1 3.71Å; R272-E289 PolarHBondContact NE-OE1 2.93Å; R272-E289 IonicContact NE-OE2 3.78Å; R272-E289 IonicContact NH2-OE1 3.11Å; R272-E289 PolarHBondContact NH2-OE1 3.4Å; R272-E289 IonicContact NH2-OE2 3.53Å; R272-E289 PolarHBondContact NH2-OE2 3.5Å
273Y97.3Very high96.5Very high30 Ų3050.1 Ų50.112%0.11825%0.253CS..  trans-67.3132.9-175.9-65.8-65.6000112.3E248 W251 A253 P271 K278 T282E248-Y273 HydrophobicContact CG-CE1 4.46Å; W251-Y273 HydrophobicContact CB-CD1 3.48Å; W251-Y273 VanDerWaalsContact CB-CD1 3.48Å; W251-Y273 HydrophobicContact CB-CE1 3.65Å; W251-Y273 HydrophobicContact CG-CE1 4.42Å; A253-Y273 HydrophobicContact CB-CD1 3.66Å; A253-Y273 HydrophobicContact CB-CE1 4Å; A253-Y273 HydrophobicContact CB-CG 4.36Å; P271-Y273 HydrophobicContact CB-CD1 4.41Å; P271-Y273 HydrophobicContact CB-CD2 4.31Å; P271-Y273 HydrophobicContact CB-CE1 3.94Å; P271-Y273 HydrophobicContact CB-CE2 3.84Å; P271-Y273 HydrophobicContact CG-CE2 4.17Å; P271-Y273 PolarHBondContact O-N 3.11Å; Y273-K278 HydrophobicContact CD1-CG 3.96Å; Y273-K278 HydrophobicContact CD2-CG 3.86Å; Y273-K278 HydrophobicContact CE1-CG 4.06Å; Y273-K278 HydrophobicContact CE2-CG 3.97Å; Y273-K278 HydrophobicContact CG-CB 4.38Å; Y273-K278 HydrophobicContact CG-CG 3.85Å; Y273-T282 HydrophobicContact CD2-CG2 4.07Å; Y273-T282 HydrophobicContact CE2-CG2 3.91Å
274N94.7Very high96.4Very high78 Ų7849.8 Ų49.842%0.41723%0.234SC..  trans-102.9-10173.2-158.938.2000113.4H160 G252 P276 N292H160-N274 PolarHBondContact CE1-O 3.41Å; G252-N274 WeakPolarHBondContact O-CB 3.31Å; G252-N274 PolarHBondContact O-N 3.27Å; N274-P276 WeakPolarHBondContact O-CD 3.45Å; N274-N292 PolarHBondContact O-ND2 2.71Å
275H97.1Very high96.2Very high49 Ų4947.9 Ų47.923%0.22722%0.222CC..  trans-84.6116.4176.9-163.5-82.3000111.1W251 E277 K278 L279W251-H275 HydrophobicContact CE3-CB 4.03Å; W251-H275 AromaticContact CE3-CG 3.83Å; W251-H275 AromaticContact CE3-ND1 3.62Å; W251-H275 AromaticContact CZ3-CE1 3.86Å; W251-H275 AromaticContact CZ3-ND1 3.57Å; W251-H275 VanDerWaalsContact O-CB 3.23Å; W251-H275 WeakPolarHBondContact O-CB 3.31Å; W251-H275 PolarHBondContact O-N 3.41Å; W251-H275 VanDerWaalsContact O-N 3.14Å; H275-E277 WeakPolarHBondContact CE1-CB 3.36Å; H275-E277 IonicContact CE1-OE2 3.02Å; H275-E277 WeakPolarHBondContact ND1-CB 3.36Å; H275-E277 PolarHBondContact ND1-N 3.13Å; H275-E277 PolarHBondContact O-N 3.47Å; H275-K278 PolarHBondContact O-N 2.75Å; H275-L279 PolarHBondContact O-N 2.86Å
276P97.2Very high95.8Very high0 Ų043.4 Ų43.40%020%0.199CC..Hα-helixtrans-65.2-25.7-171.728.2-36.9000113.2Y164 L169 N274 K278 L279 L280 L296Y164-P276 HydrophobicContact CD1-CG 4.37Å; Y164-P276 HydrophobicContact CE1-CB 4.27Å; Y164-P276 HydrophobicContact CE1-CG 4.1Å; L169-P276 HydrophobicContact CD2-CG 3.93Å; N274-P276 WeakPolarHBondContact O-CD 3.45Å; P276-K278 VanDerWaalsContact C-N 3.29Å; P276-K278 PolarHBondContact O-N 3.02Å; P276-L279 WeakPolarHBondContact O-CB 3.35Å; P276-L279 PolarHBondContact O-N 2.88Å; P276-L279 VanDerWaalsContact O-N 3.11Å; P276-L280 PolarHBondContact O-N 3.34Å; P276-L280 VanDerWaalsContact O-N 3.14Å; P276-L296 HydrophobicContact CB-CB 4.26Å; P276-L296 HydrophobicContact CB-CD2 3.85Å; P276-L296 HydrophobicContact CG-CD2 4.3Å
277E97.7Very high95.4Very high53 Ų5341.8 Ų41.825%0.24819%0.192CC..Hα-helixtrans-60.1-39173.1-163.2-175.3157.400112.8L169 K172 W251 H275 L279 L280L169-E277 HydrophobicContact CD1-CB 3.53Å; L169-E277 HydrophobicContact CD1-CG 3.7Å; K172-E277 HydrophobicContact CD-CG 3.79Å; K172-E277 IonicContact NZ-OE1 2.77Å; K172-E277 PolarHBondContact NZ-OE1 3.48Å; W251-E277 HydrophobicContact CZ3-CB 3.99Å; W251-E277 HydrophobicContact CZ3-CG 4.32Å; H275-E277 WeakPolarHBondContact CE1-CB 3.36Å; H275-E277 IonicContact CE1-OE2 3.02Å; H275-E277 WeakPolarHBondContact ND1-CB 3.36Å; H275-E277 PolarHBondContact ND1-N 3.13Å; H275-E277 PolarHBondContact O-N 3.47Å; E277-L279 VanDerWaalsContact C-N 3.27Å; E277-L279 PolarHBondContact O-N 2.57Å; E277-L280 WeakPolarHBondContact O-CB 3.41Å; E277-L280 PolarHBondContact O-N 2.56Å
278K98.1Very high95.3Very high16 Ų1640.5 Ų40.57%0.0719%0.187CC..Hα-helixtrans-70.8-30.7177.8-170.361.3-177.91770110.7W251 Y273 H275 P276 L280 E281 T282W251-K278 HydrophobicContact CB-CB 4.07Å; W251-K278 HydrophobicContact CB-CG 4.08Å; W251-K278 HydrophobicContact CD2-CB 3.91Å; W251-K278 HydrophobicContact CD2-CD 4.08Å; W251-K278 HydrophobicContact CD2-CG 4.22Å; W251-K278 HydrophobicContact CE3-CB 3.88Å; W251-K278 HydrophobicContact CG-CB 4.03Å; W251-K278 HydrophobicContact CG-CD 4.03Å; W251-K278 HydrophobicContact CG-CG 3.96Å; Y273-K278 HydrophobicContact CD1-CG 3.96Å; Y273-K278 HydrophobicContact CD2-CG 3.86Å; Y273-K278 HydrophobicContact CE1-CG 4.06Å; Y273-K278 HydrophobicContact CE2-CG 3.97Å; Y273-K278 HydrophobicContact CG-CB 4.38Å; Y273-K278 HydrophobicContact CG-CG 3.85Å; H275-K278 PolarHBondContact O-N 2.75Å; P276-K278 VanDerWaalsContact C-N 3.29Å; P276-K278 PolarHBondContact O-N 3.02Å; K278-L280 VanDerWaalsContact C-N 3.31Å; K278-L280 PolarHBondContact O-N 2.87Å; K278-E281 IonicContact NZ-OE1 3.15Å; K278-E281 PolarHBondContact NZ-OE1 3.5Å; K278-E281 IonicContact NZ-OE2 3.65Å; K278-E281 PolarHBondContact NZ-OE2 3.35Å; K278-E281 WeakPolarHBondContact O-CB 3.4Å; K278-E281 PolarHBondContact O-N 3.45Å; K278-E281 VanDerWaalsContact O-N 3.12Å; K278-T282 HydrophobicContact CD-CG2 4.46Å; K278-T282 HydrophobicContact CG-CG2 4.14Å; K278-T282 WeakPolarHBondContact O-CG2 3.39Å; K278-T282 PolarHBondContact O-N 2.78Å; K278-T282 PolarHBondContact O-OG1 2.71Å
279L98.4Very high95.5Very high1 Ų140.2 Ų40.21%0.00519%0.185CC..Hα-helixtrans-68.5-29.3177-56.3-178.9000112.7F221 H275 P276 E277 E281 R283 E289 N292 C293F221-L279 HydrophobicContact CE2-CB 4.2Å; F221-L279 WeakPolarHBondContact CE2-O 3.38Å; F221-L279 HydrophobicContact CZ-CB 4.31Å; H275-L279 PolarHBondContact O-N 2.86Å; P276-L279 WeakPolarHBondContact O-CB 3.35Å; P276-L279 PolarHBondContact O-N 2.88Å; P276-L279 VanDerWaalsContact O-N 3.11Å; E277-L279 VanDerWaalsContact C-N 3.27Å; E277-L279 PolarHBondContact O-N 2.57Å; L279-E281 PolarHBondContact O-N 3.25Å; L279-R283 WeakPolarHBondContact O-CA 3.39Å; L279-R283 PolarHBondContact O-N 3.24Å; L279-E289 HydrophobicContact CD1-CB 3.99Å; L279-E289 HydrophobicContact CD1-CG 4.29Å; L279-E289 WeakPolarHBondContact CD1-O 3.39Å; L279-E289 HydrophobicContact CD2-CB 3.94Å; L279-E289 HydrophobicContact CD2-CG 3.7Å; L279-N292 HydrophobicContact CD1-CB 4.03Å; L279-C293 HydrophobicContact CB-CB 3.81Å; L279-C293 HydrophobicContact CD1-CB 4.1Å
280L98.3Very high95.5Very high3 Ų336.3 Ų36.32%0.01617%0.17CC..Hα-helixtrans-62.8-27.8171.2-66.3172.9000112.8L169 K172 A173 I176 F220 P276 E277 K278 R283 L296L169-L280 HydrophobicContact CD1-CD1 4.28Å; K172-L280 HydrophobicContact CG-CD1 4.47Å; A173-L280 HydrophobicContact CB-CD1 4.02Å; A173-L280 HydrophobicContact CB-CD2 4.23Å; I176-L280 HydrophobicContact CD1-CB 3.82Å; I176-L280 HydrophobicContact CD1-CD1 4.27Å; I176-L280 HydrophobicContact CD1-CD2 4.33Å; I176-L280 HydrophobicContact CD1-CG 4.37Å; F220-L280 HydrophobicContact CE1-CD2 4.32Å; F220-L280 HydrophobicContact CZ-CD2 3.96Å; P276-L280 PolarHBondContact O-N 3.34Å; P276-L280 VanDerWaalsContact O-N 3.14Å; E277-L280 WeakPolarHBondContact O-CB 3.41Å; E277-L280 PolarHBondContact O-N 2.56Å; K278-L280 VanDerWaalsContact C-N 3.31Å; K278-L280 PolarHBondContact O-N 2.87Å; L280-R283 WeakPolarHBondContact O-CG 3.32Å; L280-R283 PolarHBondContact O-NE 2.99Å; L280-L296 HydrophobicContact CD1-CD2 3.97Å; L280-L296 HydrophobicContact CG-CD2 4.31Å
281E97.4Very high95.6Very high122 Ų12236 Ų3657%0.5717%0.169SC*.Hα-helixtrans-87.9-50.7177.3-173.4-163.5140.700111.6K278 L279 R283K278-E281 IonicContact NZ-OE1 3.15Å; K278-E281 PolarHBondContact NZ-OE1 3.5Å; K278-E281 IonicContact NZ-OE2 3.65Å; K278-E281 PolarHBondContact NZ-OE2 3.35Å; K278-E281 WeakPolarHBondContact O-CB 3.4Å; K278-E281 PolarHBondContact O-N 3.45Å; K278-E281 VanDerWaalsContact O-N 3.12Å; L279-E281 PolarHBondContact O-N 3.25Å; E281-R283 VanDerWaalsContact C-N 3.34Å; E281-R283 PolarHBondContact O-N 3.24Å
282T97Very high95.7Very high34 Ų3435.3 Ų35.321%0.20917%0.165CC..Hα-helixtrans-72.1-29.4-175.6610000112.8Y273 K278 R284Y273-T282 HydrophobicContact CD2-CG2 4.07Å; Y273-T282 HydrophobicContact CE2-CG2 3.91Å; K278-T282 HydrophobicContact CD-CG2 4.46Å; K278-T282 HydrophobicContact CG-CG2 4.14Å; K278-T282 WeakPolarHBondContact O-CG2 3.39Å; K278-T282 PolarHBondContact O-N 2.78Å; K278-T282 PolarHBondContact O-OG1 2.71Å; T282-R284 WeakPolarHBondContact O-CG 3.36Å; T282-R284 PolarHBondContact O-N 2.54Å
283R97.6Very high95.9Very high112 Ų11233.4 Ų33.442%0.42316%0.157SC..  trans52.829.2174.2-66.2-176.2-172.1-169.1-2114.4F220 F221 S222 L279 L280 E281F220-R283 HydrophobicContact CD2-CG 4.34Å; F220-R283 HydrophobicContact CE2-CG 3.81Å; F220-R283 VanDerWaalsContact CE2-NE 3.3Å; F220-R283 HydrophobicContact CZ-CG 4.01Å; F220-R283 WeakPolarHBondContact O-CB 3.38Å; F221-R283 CarbonylContact C-O 3.59Å; F221-R283 WeakPolarHBondContact CA-O 3.45Å; F221-R283 HydrophobicContact CD2-CB 4.49Å; S222-R283 PolarHBondContact N-O 2.82Å; L279-R283 WeakPolarHBondContact O-CA 3.39Å; L279-R283 PolarHBondContact O-N 3.24Å; L280-R283 WeakPolarHBondContact O-CG 3.32Å; L280-R283 PolarHBondContact O-NE 2.99Å; E281-R283 VanDerWaalsContact C-N 3.34Å; E281-R283 PolarHBondContact O-N 3.24Å
284R92.9Very high95.9Very high107 Ų10732 Ų3240%0.40415%0.152SC..EExtended strand (participates in β ladder)trans-156.3151.9-175.274.4-169177.1-177.5-2.1112.5S222 V224 T282S222-R284 CarbonylContact O-C 3.58Å; S222-R284 WeakPolarHBondContact O-CA 3.15Å; V224-R284 HydrophobicContact CG2-CB 3.66Å; V224-R284 HydrophobicContact CG2-CG 3.78Å; T282-R284 WeakPolarHBondContact O-CG 3.36Å; T282-R284 PolarHBondContact O-N 2.54Å
285G92.3Very high96.1Very high0 Ų028.3 Ų28.30%013%0.132CC..EExtended strand (participates in β ladder)trans164.9-157.5175.500000113.4S222 W223 V224 W290S222-G285 PolarHBondContact O-N 3.02Å; W223-G285 WeakPolarHBondContact CA-O 3.48Å; V224-G285 PolarHBondContact N-O 3.5Å; G285-W290 PolarHBondContact O-NE1 3.43Å; G285-W290 VanDerWaalsContact O-NE1 3.12Å
286R85.9Confident96.2Very high34 Ų3426 Ų2613%0.12812%0.121CC..SBendtrans-113.7-172.1172.3-59.1-167.5-170.799-3.3110W223 V224 D225 E257 G288 E289 W290W223-R286 HydrophobicContact CH2-CB 3.77Å; W223-R286 HydrophobicContact CH2-CG 4.09Å; W223-R286 HydrophobicContact CZ2-CB 4.19Å; W223-R286 HydrophobicContact CZ2-CG 3.98Å; W223-R286 HydrophobicContact CZ3-CB 4Å; V224-R286 VanDerWaalsContact O-CG 3.27Å; V224-R286 WeakPolarHBondContact O-CG 3.46Å; V224-R286 PolarHBondContact O-NE 2.92Å; D225-R286 PolarHBondContact O-NH2 2.86Å; E257-R286 VanDerWaalsContact CD-NH1 3.28Å; E257-R286 IonicContact OE1-CZ 2.95Å; E257-R286 IonicContact OE1-NH1 3.1Å; E257-R286 PolarHBondContact OE1-NH1 2.78Å; E257-R286 IonicContact OE1-NH2 3.63Å; E257-R286 IonicContact OE2-CZ 3.88Å; E257-R286 IonicContact OE2-NH1 3.39Å; E257-R286 PolarHBondContact OE2-NH1 3.22Å; E257-R286 VanDerWaalsContact OE2-NH1 3.11Å; E257-R286 IonicContact OE2-NH2 2.9Å; E257-R286 PolarHBondContact OE2-NH2 3.44Å; R286-G288 PolarHBondContact O-N 2.92Å; R286-E289 PolarHBondContact N-OE2 2.71Å; R286-E289 PolarHBondContact O-N 3.09Å; R286-W290 PolarHBondContact O-N 3.24Å
287C87.8Confident96.3Very high24 Ų2426 Ų2616%0.16212%0.121CC..Hα-helixtrans-45.5-41.7-173.8570000114.6W290 A291 H314 V315 C333C287-W290 PolarHBondContact O-N 3.2Å; C287-A291 WeakPolarHBondContact O-CB 3.22Å; C287-A291 PolarHBondContact O-N 3.43Å; C287-H314 WeakPolarHBondContact CB-ND1 3.22Å; C287-V315 HydrophobicContact CB-CG2 4.5Å; C287-V315 WeakPolarHBondContact O-CG2 3.45Å; C287-C333 VanDerWaalsContact CA-SG 3.59Å
288G93Very high96.3Very high23 Ų2323.5 Ų23.524%0.23711%0.11CC..Hα-helixtrans-51.8-59.2172.800000114.1R286 N292R286-G288 PolarHBondContact O-N 2.92Å; G288-N292 WeakPolarHBondContact O-CB 3.24Å; G288-N292 PolarHBondContact O-N 3.43Å; G288-N292 VanDerWaalsContact O-N 3.08Å
289E97.9Very high96.3Very high9 Ų923.7 Ų23.74%0.04211%0.11CC..Hα-helixtrans-65.7-38.7179.7-67.381.6-175.400112.4F221 R272 L279 R286 C293F221-E289 HydrophobicContact CE1-CB 4.18Å; F221-E289 HydrophobicContact CZ-CB 4.1Å; R272-E289 IonicContact CZ-OE1 2.92Å; R272-E289 IonicContact CZ-OE2 3.41Å; R272-E289 IonicContact NE-OE1 3.71Å; R272-E289 PolarHBondContact NE-OE1 2.93Å; R272-E289 IonicContact NE-OE2 3.78Å; R272-E289 IonicContact NH2-OE1 3.11Å; R272-E289 PolarHBondContact NH2-OE1 3.4Å; R272-E289 IonicContact NH2-OE2 3.53Å; R272-E289 PolarHBondContact NH2-OE2 3.5Å; L279-E289 HydrophobicContact CD1-CB 3.99Å; L279-E289 HydrophobicContact CD1-CG 4.29Å; L279-E289 WeakPolarHBondContact CD1-O 3.39Å; L279-E289 HydrophobicContact CD2-CB 3.94Å; L279-E289 HydrophobicContact CD2-CG 3.7Å; R286-E289 PolarHBondContact N-OE2 2.71Å; R286-E289 PolarHBondContact O-N 3.09Å; E289-C293 VanDerWaalsContact O-CB 3.32Å; E289-C293 WeakPolarHBondContact O-CB 3.38Å; E289-C293 PolarHBondContact O-N 3.26Å
290W97.1Very high96.3Very high6 Ų623.8 Ų23.82%0.02311%0.111CC..Hα-helixtrans-61.3-53.8178.6-8369.5000111.6F216 K217 F221 S222 W223 G285 R286 C287 N292 F294 S332 C333F216-W290 AromaticContact CD1-CE3 3.75Å; F216-W290 HydrophobicContact CD1-CE3 3.75Å; F216-W290 AromaticContact CD1-CZ3 3.84Å; F216-W290 HydrophobicContact CD1-CZ3 3.84Å; F216-W290 HydrophobicContact CE1-CB 4.47Å; F216-W290 HydrophobicContact CE1-CD2 4.09Å; F216-W290 AromaticContact CE1-CE3 3.51Å; F216-W290 HydrophobicContact CE1-CE3 3.51Å; F216-W290 HydrophobicContact CE1-CZ3 4.01Å; K217-W290 HydrophobicContact CB-CH2 4.28Å; K217-W290 HydrophobicContact CB-CZ3 3.95Å; K217-W290 HydrophobicContact CG-CH2 4.03Å; K217-W290 HydrophobicContact CG-CZ3 4.05Å; F221-W290 HydrophobicContact CB-CH2 4.3Å; F221-W290 HydrophobicContact CB-CZ2 4.39Å; F221-W290 HydrophobicContact CB-CZ3 4.4Å; F221-W290 AromaticContact CD1-CD1 3.6Å; F221-W290 AromaticContact CD1-CD2 3.74Å; F221-W290 HydrophobicContact CD1-CD2 3.74Å; F221-W290 AromaticContact CD1-CE2 3.57Å; F221-W290 HydrophobicContact CD1-CE3 4.44Å; F221-W290 AromaticContact CD1-CG 3.8Å; F221-W290 HydrophobicContact CD1-CG 3.8Å; F221-W290 HydrophobicContact CD1-CZ2 4.13Å; F221-W290 AromaticContact CD1-NE1 3.51Å; F221-W290 AromaticContact CE1-CD1 3.56Å; F221-W290 HydrophobicContact CE1-CD2 4.4Å; F221-W290 AromaticContact CE1-CG 3.98Å; F221-W290 HydrophobicContact CE1-CG 3.98Å; F221-W290 AromaticContact CE1-NE1 3.82Å; F221-W290 WeakPolarHBondContact O-CH2 3.47Å; S222-W290 PolarHBondContact O-NE1 3.39Å; W223-W290 HydrophobicContact CB-CZ2 4.31Å; W223-W290 AromaticContact CE3-NE1 3.81Å; G285-W290 PolarHBondContact O-NE1 3.43Å; G285-W290 VanDerWaalsContact O-NE1 3.12Å; R286-W290 PolarHBondContact O-N 3.24Å; C287-W290 PolarHBondContact O-N 3.2Å; W290-N292 VanDerWaalsContact C-N 3.35Å; W290-N292 PolarHBondContact O-N 2.95Å; W290-F294 WeakPolarHBondContact O-CB 3.41Å; W290-F294 PolarHBondContact O-N 3.05Å; W290-S332 VanDerWaalsContact CZ3-O 3.23Å; W290-S332 WeakPolarHBondContact CZ3-O 3.35Å; W290-C333 WeakPolarHBondContact CB-SG 3.39Å; W290-C333 HydrophobicContact CE3-CB 4.5Å
291A98.1Very high96.3Very high1 Ų124.5 Ų24.51%0.00811%0.114CC..Hα-helixtrans-65.3-3918000000111.8C287 T295 Y307 V315C287-A291 WeakPolarHBondContact O-CB 3.22Å; C287-A291 PolarHBondContact O-N 3.43Å; A291-T295 VanDerWaalsContact O-CB 3.3Å; A291-T295 WeakPolarHBondContact O-CB 3.41Å; A291-T295 PolarHBondContact O-N 3.25Å; A291-T295 PolarHBondContact O-OG1 3.17Å; A291-Y307 HydrophobicContact CB-CE2 4.08Å; A291-V315 HydrophobicContact CB-CB 4.26Å; A291-V315 HydrophobicContact CB-CG2 3.69Å
292N98.4Very high96.2Very high0 Ų021.2 Ų21.20%011%0.114CC..Hα-helixtrans-62.8-51.2179.7-173.811.5000111.9H160 Y164 N274 L279 G288 W290 L296H160-N292 PolarHBondContact NE2-OD1 3.43Å; Y164-N292 WeakPolarHBondContact CE1-O 3.16Å; Y164-N292 VanDerWaalsContact CE1-OD1 3.27Å; Y164-N292 WeakPolarHBondContact CE1-OD1 3.32Å; Y164-N292 WeakPolarHBondContact OH-CA 3.33Å; Y164-N292 PolarHBondContact OH-O 3Å; Y164-N292 PolarHBondContact OH-OD1 3.32Å; N274-N292 PolarHBondContact O-ND2 2.71Å; L279-N292 HydrophobicContact CD1-CB 4.03Å; G288-N292 WeakPolarHBondContact O-CB 3.24Å; G288-N292 PolarHBondContact O-N 3.43Å; G288-N292 VanDerWaalsContact O-N 3.08Å; W290-N292 VanDerWaalsContact C-N 3.35Å; W290-N292 PolarHBondContact O-N 2.95Å; N292-L296 PolarHBondContact O-N 2.84Å
293C98.8Very high96.3Very high0 Ų019.9 Ų19.90%011%0.105CC..Hα-helixtrans-68.4-41.5178.8-171.10000111.8F216 F221 L279 E289 T295 L296 C297F216-C293 HydrophobicContact CE2-CB 4.22Å; F216-C293 HydrophobicContact CZ-CB 3.96Å; F221-C293 HydrophobicContact CE2-CB 3.9Å; F221-C293 HydrophobicContact CZ-CB 4.33Å; L279-C293 HydrophobicContact CB-CB 3.81Å; L279-C293 HydrophobicContact CD1-CB 4.1Å; E289-C293 VanDerWaalsContact O-CB 3.32Å; E289-C293 WeakPolarHBondContact O-CB 3.38Å; E289-C293 PolarHBondContact O-N 3.26Å; C293-T295 PolarHBondContact O-N 3.01Å; C293-L296 WeakPolarHBondContact O-CB 3.28Å; C293-L296 PolarHBondContact O-N 2.8Å; C293-C297 PolarHBondContact O-N 2.83Å; C293-C297 PolarHBondContact O-SG 3.4Å; C293-C297 VanDerWaalsContact O-SG 3.38Å
294F98.8Very high96.3Very high0 Ų016.4 Ų16.40%09%0.094CC..Hα-helixtrans-63.8-39.6178.3-176.4-104.8000112.6L212 L213 F216 W290 L296 C297 C298 T317 I319 C330 S332L212-F294 HydrophobicContact CD2-CE2 4.15Å; L212-F294 HydrophobicContact CD2-CZ 4.39Å; L212-F294 HydrophobicContact CG-CE2 3.91Å; L212-F294 HydrophobicContact CG-CZ 4.48Å; L213-F294 HydrophobicContact CD2-CE1 3.72Å; L213-F294 HydrophobicContact CD2-CE2 3.84Å; L213-F294 HydrophobicContact CD2-CZ 3.32Å; L213-F294 HydrophobicContact CG-CE1 4.38Å; L213-F294 HydrophobicContact CG-CE2 4.17Å; L213-F294 HydrophobicContact CG-CZ 3.62Å; F216-F294 HydrophobicContact CB-CD2 3.82Å; F216-F294 HydrophobicContact CB-CE2 4.1Å; F216-F294 HydrophobicContact CD1-CB 4.35Å; F216-F294 HydrophobicContact CD1-CD2 4.06Å; F216-F294 HydrophobicContact CD2-CB 4.28Å; F216-F294 AromaticContact CD2-CD2 3.73Å; F216-F294 HydrophobicContact CD2-CD2 3.73Å; F216-F294 HydrophobicContact CE1-CB 4.07Å; F216-F294 HydrophobicContact CE2-CB 3.98Å; F216-F294 HydrophobicContact CE2-CD2 4.29Å; F216-F294 HydrophobicContact CG-CB 4.46Å; F216-F294 AromaticContact CG-CD2 3.6Å; F216-F294 HydrophobicContact CG-CD2 3.6Å; F216-F294 HydrophobicContact CG-CE2 4.37Å; F216-F294 HydrophobicContact CG-CG 4.47Å; F216-F294 HydrophobicContact CZ-CB 3.88Å; W290-F294 WeakPolarHBondContact O-CB 3.41Å; W290-F294 PolarHBondContact O-N 3.05Å; F294-L296 VanDerWaalsContact C-N 3.33Å; F294-L296 PolarHBondContact O-N 2.91Å; F294-C297 WeakPolarHBondContact O-CB 3.46Å; F294-C297 PolarHBondContact O-N 3.34Å; F294-C297 VanDerWaalsContact O-N 3.14Å; F294-C298 WeakPolarHBondContact CE1-SG 3.38Å; F294-C298 PolarHBondContact O-N 3.21Å; F294-C298 PolarHBondContact O-SG 3.2Å; F294-T317 HydrophobicContact CD1-CG2 4.37Å; F294-T317 HydrophobicContact CE1-CG2 4.46Å; F294-I319 HydrophobicContact CE1-CD1 4.32Å; F294-C330 HydrophobicContact CE1-CB 4.32Å; F294-S332 VanDerWaalsContact CG-CB 3.47Å
295T98.8Very high96.6Very high1 Ų111.7 Ų11.71%0.0068%0.077CC..Hα-helixtrans-62.6-41.2176.3-54.20000110.9Y164 A291 C293 C297 C298 R299 A305 T317Y164-T295 HydrophobicContact CD2-CG2 3.69Å; Y164-T295 HydrophobicContact CE2-CG2 3.46Å; Y164-T295 VanDerWaalsContact CE2-CG2 3.46Å; Y164-T295 HydrophobicContact CG-CG2 4.47Å; A291-T295 VanDerWaalsContact O-CB 3.3Å; A291-T295 WeakPolarHBondContact O-CB 3.41Å; A291-T295 PolarHBondContact O-N 3.25Å; A291-T295 PolarHBondContact O-OG1 3.17Å; C293-T295 PolarHBondContact O-N 3.01Å; T295-C297 PolarHBondContact O-N 3.04Å; T295-C298 WeakPolarHBondContact O-CB 3.47Å; T295-C298 PolarHBondContact O-N 3.34Å; T295-R299 WeakPolarHBondContact O-CG 3.35Å; T295-R299 PolarHBondContact O-N 2.91Å; T295-A305 HydrophobicContact CG2-CB 4.21Å; T295-T317 HydrophobicContact CG2-CG2 4.32Å; T295-T317 PolarHBondContact OG1-OG1 3.47Å
296L98.8Very high96.9Very high0 Ų011.7 Ų11.70%08%0.077CC..Hα-helixtrans-58.7-46.9171.117363.1000111.6Y164 L169 Q170 A173 P276 L280 N292 C293 F294 C298 R299 A300Y164-L296 HydrophobicContact CD1-CB 3.73Å; Y164-L296 HydrophobicContact CD1-CD1 4.26Å; Y164-L296 HydrophobicContact CE1-CB 4.1Å; L169-L296 HydrophobicContact CD1-CD2 3.76Å; L169-L296 HydrophobicContact CD2-CD1 3.96Å; L169-L296 HydrophobicContact CD2-CD2 3.99Å; L169-L296 HydrophobicContact CG-CD1 3.77Å; L169-L296 HydrophobicContact CG-CD2 3.7Å; L169-L296 HydrophobicContact CG-CG 4.41Å; Q170-L296 HydrophobicContact CG-CD1 4.48Å; A173-L296 HydrophobicContact CB-CD2 4.17Å; A173-L296 HydrophobicContact CB-CG 4.09Å; P276-L296 HydrophobicContact CB-CB 4.26Å; P276-L296 HydrophobicContact CB-CD2 3.85Å; P276-L296 HydrophobicContact CG-CD2 4.3Å; L280-L296 HydrophobicContact CD1-CD2 3.97Å; L280-L296 HydrophobicContact CG-CD2 4.31Å; N292-L296 PolarHBondContact O-N 2.84Å; C293-L296 WeakPolarHBondContact O-CB 3.28Å; C293-L296 PolarHBondContact O-N 2.8Å; F294-L296 VanDerWaalsContact C-N 3.33Å; F294-L296 PolarHBondContact O-N 2.91Å; L296-C298 VanDerWaalsContact C-N 3.29Å; L296-C298 PolarHBondContact O-N 3.49Å; L296-R299 PolarHBondContact O-N 2.9Å; L296-A300 WeakPolarHBondContact O-CB 3.26Å; L296-A300 PolarHBondContact O-N 3.36Å
297C98.8Very high97.5Very high0 Ų011 Ų110%08%0.075CC..Hα-helixtrans-58.3-41.5177.9-68.20000111.9I177 C293 F294 T295 A300 M301I177-C297 HydrophobicContact CD1-CB 3.9Å; C293-C297 PolarHBondContact O-N 2.83Å; C293-C297 PolarHBondContact O-SG 3.4Å; C293-C297 VanDerWaalsContact O-SG 3.38Å; F294-C297 WeakPolarHBondContact O-CB 3.46Å; F294-C297 PolarHBondContact O-N 3.34Å; F294-C297 VanDerWaalsContact O-N 3.14Å; T295-C297 PolarHBondContact O-N 3.04Å; C297-A300 PolarHBondContact O-N 3.07Å; C297-M301 WeakPolarHBondContact O-CB 3.42Å; C297-M301 WeakPolarHBondContact O-CG 3.07Å; C297-M301 PolarHBondContact O-N 2.99Å
298C98.6Very high98Very high0 Ų09.8 Ų9.80%07%0.067CC..Hα-helixtrans-60.6-47.8176.1-63.60000111.4F294 T295 L296 A300 M301 G302 L303 A305 I319F294-C298 WeakPolarHBondContact CE1-SG 3.38Å; F294-C298 PolarHBondContact O-N 3.21Å; F294-C298 PolarHBondContact O-SG 3.2Å; T295-C298 WeakPolarHBondContact O-CB 3.47Å; T295-C298 PolarHBondContact O-N 3.34Å; L296-C298 VanDerWaalsContact C-N 3.29Å; L296-C298 PolarHBondContact O-N 3.49Å; C298-A300 PolarHBondContact O-N 2.87Å; C298-M301 PolarHBondContact O-N 2.92Å; C298-G302 PolarHBondContact O-N 2.74Å; C298-L303 HydrophobicContact CB-CB 4.39Å; C298-L303 HydrophobicContact CB-CD1 4.45Å; C298-L303 WeakPolarHBondContact O-CB 3.42Å; C298-L303 PolarHBondContact O-N 2.85Å; C298-A305 HydrophobicContact CB-CB 3.85Å; C298-I319 HydrophobicContact CB-CD1 4.34Å; C298-I319 VanDerWaalsContact SG-CD1 3.51Å
299R98.5Very high98.3Very high20 Ų2010.7 Ų10.78%0.0756%0.063CC..Hα-helixtrans-63.1-41.5178.1-65.1-57.1-60.3115.49.6112.2E165 T295 L296 M301 G302 L303 A305E165-R299 IonicContact OE1-CZ 3.02Å; E165-R299 IonicContact OE1-NE 2.86Å; E165-R299 PolarHBondContact OE1-NE 3.28Å; E165-R299 IonicContact OE1-NH2 3.94Å; E165-R299 PolarHBondContact OE1-NH2 2.98Å; E165-R299 IonicContact OE2-CZ 2.82Å; E165-R299 IonicContact OE2-NE 3.87Å; E165-R299 IonicContact OE2-NH2 2.75Å; E165-R299 PolarHBondContact OE2-NH2 3.04Å; T295-R299 WeakPolarHBondContact O-CG 3.35Å; T295-R299 PolarHBondContact O-N 2.91Å; L296-R299 PolarHBondContact O-N 2.9Å; R299-M301 PolarHBondContact O-N 3.44Å; R299-G302 PolarHBondContact O-N 2.74Å; R299-L303 WeakPolarHBondContact CD-O 3.37Å; R299-L303 PolarHBondContact NH1-O 2.66Å; R299-A305 HydrophobicContact CG-CB 4.27Å
300A98.4Very high98.3Very high4 Ų410.3 Ų10.33%0.0336%0.062CC..Hα-helixtrans-64.1-27.1176.200000113.7Q170 A173 I177 L296 C297 C298 G302Q170-A300 HydrophobicContact CB-CB 4.12Å; Q170-A300 HydrophobicContact CG-CB 4.32Å; Q170-A300 WeakPolarHBondContact O-CB 3.47Å; A173-A300 HydrophobicContact CB-CB 3.73Å; I177-A300 HydrophobicContact CD1-CB 4.5Å; L296-A300 WeakPolarHBondContact O-CB 3.26Å; L296-A300 PolarHBondContact O-N 3.36Å; C297-A300 PolarHBondContact O-N 3.07Å; C298-A300 PolarHBondContact O-N 2.87Å; A300-G302 VanDerWaalsContact C-N 3.25Å
301M97.1Very high98.2Very high17 Ų1711.5 Ų11.58%0.0847%0.071CC..THydrogen-bonded Turntrans-83.11.1173.9-67.9-69.9-66.200113.1I177 H179 L208 L212 C297 C298 R299 L303I177-M301 HydrophobicContact CB-SD 4.47Å; I177-M301 HydrophobicContact CD1-CG 3.99Å; I177-M301 HydrophobicContact CD1-SD 4.18Å; I177-M301 HydrophobicContact CG2-SD 3.74Å; H179-M301 HydrophobicContact CB-SD 4.47Å; H179-M301 WeakPolarHBondContact ND1-CE 3.47Å; H179-M301 PolarHBondContact ND1-SD 2.81Å; L208-M301 HydrophobicContact CD1-CE 3.67Å; L208-M301 HydrophobicContact CD2-CE 3.74Å; L208-M301 HydrophobicContact CG-CE 4.02Å; L212-M301 HydrophobicContact CD1-CG 4.44Å; L212-M301 HydrophobicContact CD2-CG 4.27Å; C297-M301 WeakPolarHBondContact O-CB 3.42Å; C297-M301 WeakPolarHBondContact O-CG 3.07Å; C297-M301 PolarHBondContact O-N 2.99Å; C298-M301 PolarHBondContact O-N 2.92Å; R299-M301 PolarHBondContact O-N 3.44Å; M301-L303 VanDerWaalsContact C-N 3.35Å; M301-L303 HydrophobicContact CB-CD1 4.39Å; M301-L303 HydrophobicContact CB-CG 4.33Å
302G96.6Very high97.9Very high54 Ų5413.7 Ų13.756%0.5578%0.084SC*.THydrogen-bonded Turntrans85.32-179.900000114.6C298 R299 A300C298-G302 PolarHBondContact O-N 2.74Å; R299-G302 PolarHBondContact O-N 2.74Å; A300-G302 VanDerWaalsContact C-N 3.25Å
303L97.8Very high97.3Very high5 Ų520.9 Ų20.93%0.02612%0.123CC..  trans-78.4135-177.8-57.3170.5000110.7E205 V209 L212 C298 R299 M301 A305 I319E205-L303 HydrophobicContact CB-CD2 4.02Å; E205-L303 HydrophobicContact CG-CD2 4.21Å; V209-L303 HydrophobicContact CG2-CD1 3.79Å; V209-L303 HydrophobicContact CG2-CD2 4.5Å; L212-L303 HydrophobicContact CD2-CD1 4.41Å; C298-L303 HydrophobicContact CB-CB 4.39Å; C298-L303 HydrophobicContact CB-CD1 4.45Å; C298-L303 WeakPolarHBondContact O-CB 3.42Å; C298-L303 PolarHBondContact O-N 2.85Å; R299-L303 WeakPolarHBondContact CD-O 3.37Å; R299-L303 PolarHBondContact NH1-O 2.66Å; M301-L303 VanDerWaalsContact C-N 3.35Å; M301-L303 HydrophobicContact CB-CD1 4.39Å; M301-L303 HydrophobicContact CB-CG 4.33Å; L303-A305 PolarHBondContact O-N 2.92Å; L303-I319 HydrophobicContact CB-CG2 4.05Å; L303-I319 HydrophobicContact CD1-CD1 4.46Å; L303-I319 HydrophobicContact CD1-CG2 4.45Å
304E98.1Very high97Very high40 Ų4021.4 Ų21.419%0.18713%0.125CC..  trans-67.9119.7169.9-70.3-168.9-117.700109.7I319 Y320 W327 R407 R414E304-I319 WeakPolarHBondContact O-CA 3.48Å; E304-Y320 PolarHBondContact O-N 3.37Å; E304-W327 HydrophobicContact CB-CH2 4.34Å; E304-R407 IonicContact OE1-NH1 3.59Å; E304-R407 IonicContact OE2-CZ 3.02Å; E304-R407 IonicContact OE2-NH1 3.27Å; E304-R407 IonicContact OE2-NH2 3.82Å; E304-R407 PolarHBondContact OE2-NH2 3.29Å; E304-R414 IonicContact OE1-CZ 3.56Å; E304-R414 IonicContact OE1-NH1 3.57Å; E304-R414 PolarHBondContact OE1-NH1 2.86Å; E304-R414 IonicContact OE1-NH2 3.84Å; E304-R414 PolarHBondContact OE1-NH2 3.11Å; E304-R414 IonicContact OE2-CZ 2.81Å; E304-R414 IonicContact OE2-NH1 3.96Å; E304-R414 PolarHBondContact OE2-NH1 3.35Å; E304-R414 IonicContact OE2-NH2 3.99Å
305A98.6Very high96.9Very high7 Ų722.1 Ų22.16%0.05813%0.13CC..EExtended strand (participates in β ladder)trans-133148.5-173.400000112.5T295 C298 R299 L303 T317 E318T295-A305 HydrophobicContact CG2-CB 4.21Å; C298-A305 HydrophobicContact CB-CB 3.85Å; R299-A305 HydrophobicContact CG-CB 4.27Å; L303-A305 PolarHBondContact O-N 2.92Å; A305-T317 HydrophobicContact CB-CG2 4.18Å; A305-E318 CarbonylContact C-O 3.57Å; A305-E318 WeakPolarHBondContact CA-O 3.29Å
306R98.8Very high96.8Very high0 Ų022.1 Ų22.10%013%0.13CC..EExtended strand (participates in β ladder)trans-118.8138.6170.2-70.7156.3171.2-175.31.9109.7I308 T317 E318 W327 A356 F357 E418R306-I308 HydrophobicContact CB-CD1 3.85Å; R306-T317 CarbonylContact O-C 3.57Å; R306-T317 VanDerWaalsContact O-CA 3.27Å; R306-T317 WeakPolarHBondContact O-CA 3.48Å; R306-T317 WeakPolarHBondContact O-CG2 3.1Å; R306-E318 HydrophobicContact CB-CB 4.19Å; R306-E318 VanDerWaalsContact CD-OE2 3.31Å; R306-E318 WeakPolarHBondContact CD-OE2 3.28Å; R306-E318 PolarHBondContact N-O 3.03Å; R306-E318 IonicContact NH1-OE2 3.1Å; R306-E318 PolarHBondContact NH1-OE2 3.42Å; R306-E318 VanDerWaalsContact NH1-OE2 3.17Å; R306-E318 PolarHBondContact O-N 2.66Å; R306-W327 HydrophobicContact CB-CZ3 4.31Å; R306-W327 HydrophobicContact CG-CE3 4.2Å; R306-W327 HydrophobicContact CG-CH2 3.72Å; R306-W327 HydrophobicContact CG-CZ2 4.34Å; R306-W327 HydrophobicContact CG-CZ3 3.64Å; R306-W327 VanDerWaalsContact CZ-CZ2 3.43Å; R306-W327 VanDerWaalsContact NE-CE2 3.27Å; R306-W327 VanDerWaalsContact NH1-CD1 3.31Å; R306-W327 VanDerWaalsContact NH2-CE2 3.31Å; R306-A356 HydrophobicContact CB-CB 4.18Å; R306-A356 HydrophobicContact CG-CB 4.3Å; R306-F357 CarbonylContact C-O 3.55Å; R306-F357 WeakPolarHBondContact CA-O 3.26Å; R306-E418 IonicContact CZ-OE1 3.51Å; R306-E418 IonicContact CZ-OE2 3.5Å; R306-E418 IonicContact NH1-OE1 3.56Å; R306-E418 PolarHBondContact NH1-OE1 3.34Å; R306-E418 IonicContact NH1-OE2 2.63Å; R306-E418 PolarHBondContact NH1-OE2 2.88Å; R306-E418 VanDerWaalsContact NH1-OE2 3.13Å; R306-E418 IonicContact NH2-OE1 2.75Å; R306-E418 IonicContact NH2-OE2 2.75Å; R306-E418 PolarHBondContact NH2-OE2 3.45Å
307Y98.8Very high96.8Very high19 Ų1922.1 Ų22.18%0.07513%0.13CC..EExtended strand (participates in β ladder)trans-81.9129.4163.5179.7-96000109V161 A291 W309 V315 F357V161-Y307 HydrophobicContact CG1-CG 4.46Å; A291-Y307 HydrophobicContact CB-CE2 4.08Å; Y307-W309 HydrophobicContact CE1-CB 4.35Å; Y307-V315 HydrophobicContact CE1-CG1 4.34Å; Y307-V315 HydrophobicContact CE2-CB 4.27Å; Y307-V315 HydrophobicContact CE2-CG2 4.43Å; Y307-V315 WeakPolarHBondContact OH-CG1 3.34Å; Y307-F357 HydrophobicContact CD1-CD2 4.47Å; Y307-F357 PolarHBondContact N-O 2.97Å; Y307-F357 PolarHBondContact O-N 2.93Å
308I98.8Very high96.9Very high0 Ų022.1 Ų22.10%013%0.13CC..EExtended strand (participates in β ladder)trans-108.9126.1-177.1-45.8-58.8000109.5R306 V315 W316 E318 V354 L355 A356 V365R306-I308 HydrophobicContact CB-CD1 3.85Å; I308-V315 WeakPolarHBondContact O-CA 3.45Å; I308-V315 VanDerWaalsContact O-CB 3.31Å; I308-V315 WeakPolarHBondContact O-CB 3.46Å; I308-W316 HydrophobicContact CB-CD2 3.99Å; I308-W316 HydrophobicContact CB-CG 3.98Å; I308-W316 HydrophobicContact CB-CZ2 4.38Å; I308-W316 WeakPolarHBondContact CB-O 3.24Å; I308-W316 HydrophobicContact CG1-CG 4.3Å; I308-W316 HydrophobicContact CG2-CD2 4.02Å; I308-W316 HydrophobicContact CG2-CG 4.49Å; I308-W316 HydrophobicContact CG2-CH2 4.28Å; I308-W316 HydrophobicContact CG2-CZ2 3.53Å; I308-W316 PolarHBondContact N-O 2.96Å; I308-W316 PolarHBondContact O-N 3.08Å; I308-W316 VanDerWaalsContact O-N 3.13Å; I308-E318 HydrophobicContact CD1-CB 3.99Å; I308-E318 HydrophobicContact CD1-CG 3.58Å; I308-E318 HydrophobicContact CG1-CB 4.39Å; I308-E318 HydrophobicContact CG1-CG 3.87Å; I308-V354 HydrophobicContact CG2-CG1 3.4Å; I308-V354 VanDerWaalsContact CG2-CG1 3.4Å; I308-L355 WeakPolarHBondContact CA-O 3.22Å; I308-A356 HydrophobicContact CD1-CB 3.31Å; I308-V365 HydrophobicContact CG2-CG2 4.31Å
309W98.5Very high96.8Very high41 Ų4122.2 Ų22.216%0.15513%0.13CC..EExtended strand (participates in β ladder)trans-110.2119.8175.4176.380.8000110.3F150 T153 Y307 V354 L355 F357F150-W309 HydrophobicContact CE2-CZ3 4.46Å; F150-W309 HydrophobicContact CZ-CZ3 4.37Å; T153-W309 HydrophobicContact CG2-CD2 4.32Å; T153-W309 HydrophobicContact CG2-CH2 4.05Å; T153-W309 HydrophobicContact CG2-CZ2 3.85Å; T153-W309 HydrophobicContact CG2-CZ3 4.38Å; Y307-W309 HydrophobicContact CE1-CB 4.35Å; W309-V354 CarbonylContact O-C 3.55Å; W309-V354 WeakPolarHBondContact O-CA 3.31Å; W309-L355 HydrophobicContact CE3-CB 4.34Å; W309-L355 HydrophobicContact CE3-CD1 3.85Å; W309-L355 HydrophobicContact CE3-CG 4.13Å; W309-L355 HydrophobicContact CZ3-CD1 3.82Å; W309-L355 HydrophobicContact CZ3-CG 4.37Å; W309-L355 PolarHBondContact N-O 3.05Å; W309-L355 PolarHBondContact O-N 2.87Å; W309-F357 HydrophobicContact CB-CE2 3.91Å
310D97.3Very high96.8Very high1 Ų122.2 Ų22.21%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-102.4123.5169.4164.617.9000109.4T312 D313 H314 W316 K349 L351 V354D310-T312 PolarHBondContact O-N 3.25Å; D310-T312 WeakPolarHBondContact OD1-CB 3.31Å; D310-T312 PolarHBondContact OD1-N 2.92Å; D310-T312 PolarHBondContact OD1-OG1 3.42Å; D310-T312 PolarHBondContact OD2-OG1 3.09Å; D310-D313 PolarHBondContact O-N 2.96Å; D310-H314 WeakPolarHBondContact CB-O 3.16Å; D310-H314 PolarHBondContact N-O 3.36Å; D310-W316 HydrophobicContact CB-CH2 3.63Å; D310-W316 HydrophobicContact CB-CZ3 3.46Å; D310-W316 VanDerWaalsContact CB-CZ3 3.46Å; D310-K349 IonicContact OD2-NZ 2.74Å; D310-K349 PolarHBondContact OD2-NZ 3.48Å; D310-L351 WeakPolarHBondContact OD2-CD2 3.47Å; D310-V354 HydrophobicContact CB-CG1 4.49Å; D310-V354 HydrophobicContact CB-CG2 4.23Å
311S96.1Very high96.7Very high32 Ų3222.1 Ų22.122%0.22413%0.129CC..THydrogen-bonded Turntrans-56.7-13.2177.9570000115.1Y353S311-Y353 PolarHBondContact N-O 2.9Å; S311-Y353 PolarHBondContact OG-N 3.01Å; S311-Y353 PolarHBondContact OG-O 3.05Å
312T90.9Very high96.6Very high47 Ų4724.7 Ų24.729%0.28815%0.146SC..THydrogen-bonded Turntrans-98.338.4177.367.50000113D310 K349D310-T312 PolarHBondContact O-N 3.25Å; D310-T312 WeakPolarHBondContact OD1-CB 3.31Å; D310-T312 PolarHBondContact OD1-N 2.92Å; D310-T312 PolarHBondContact OD1-OG1 3.42Å; D310-T312 PolarHBondContact OD2-OG1 3.09Å; T312-K349 WeakPolarHBondContact O-CE 3.4Å; T312-K349 PolarHBondContact O-NZ 2.93Å; T312-K349 WeakPolarHBondContact OG1-CE 3.28Å; T312-K349 PolarHBondContact OG1-NZ 2.82Å
313D87.3Confident96.4Very high150 Ų15023.8 Ų23.880%0.80213%0.131SC*.THydrogen-bonded Turntrans61.148.2173.1-162.330.9000114.2D310D310-D313 PolarHBondContact O-N 2.96Å
314H90.8Very high95.9Very high12 Ų1224.9 Ų24.96%0.05614%0.136CC..EExtended strand (participates in β ladder)trans-145.1156.6167.2-164.749000111.2C287 D310 W316 D331 Y343 W347 K349C287-H314 WeakPolarHBondContact CB-ND1 3.22Å; D310-H314 WeakPolarHBondContact CB-O 3.16Å; D310-H314 PolarHBondContact N-O 3.36Å; H314-W316 HydrophobicContact CB-CZ3 4.28Å; H314-W316 AromaticContact CD2-CE3 3.42Å; H314-W316 VanDerWaalsContact CD2-CE3 3.42Å; H314-W316 AromaticContact CD2-CZ3 3.71Å; H314-D331 IonicContact CD2-OD2 2.74Å; H314-D331 IonicContact CE1-OD2 3.71Å; H314-D331 IonicContact NE2-OD2 3.31Å; H314-D331 PolarHBondContact NE2-OD2 3.33Å; H314-Y343 AromaticContact CD2-CD1 3.98Å; H314-Y343 AromaticContact CD2-CE1 3.47Å; H314-Y343 VanDerWaalsContact CD2-CE1 3.47Å; H314-Y343 WeakPolarHBondContact CD2-CE1 3.23Å; H314-Y343 AromaticContact CD2-CZ 3.99Å; H314-Y343 AromaticContact NE2-CE1 3.6Å; H314-W347 AromaticContact CE1-CH2 3.94Å; H314-W347 AromaticContact NE2-CH2 3.74Å; H314-K349 VanDerWaalsContact CB-NZ 3.27Å
315V96.8Very high95.7Very high15 Ų1529.4 Ų29.49%0.09116%0.157CC..EExtended strand (participates in β ladder)trans-146.8148.6-179.2-60.10000110.1C287 A291 Y307 I308C287-V315 HydrophobicContact CB-CG2 4.5Å; C287-V315 WeakPolarHBondContact O-CG2 3.45Å; A291-V315 HydrophobicContact CB-CB 4.26Å; A291-V315 HydrophobicContact CB-CG2 3.69Å; Y307-V315 HydrophobicContact CE1-CG1 4.34Å; Y307-V315 HydrophobicContact CE2-CB 4.27Å; Y307-V315 HydrophobicContact CE2-CG2 4.43Å; Y307-V315 WeakPolarHBondContact OH-CG1 3.34Å; I308-V315 WeakPolarHBondContact O-CA 3.45Å; I308-V315 VanDerWaalsContact O-CB 3.31Å; I308-V315 WeakPolarHBondContact O-CB 3.46Å
316W98.5Very high95.5Very high1 Ų130.9 Ų30.90%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-157.3-165.1-179.761.988.6000110.7I308 D310 H314 H329 D331 Y343 V354 Y369I308-W316 HydrophobicContact CB-CD2 3.99Å; I308-W316 HydrophobicContact CB-CG 3.98Å; I308-W316 HydrophobicContact CB-CZ2 4.38Å; I308-W316 WeakPolarHBondContact CB-O 3.24Å; I308-W316 HydrophobicContact CG1-CG 4.3Å; I308-W316 HydrophobicContact CG2-CD2 4.02Å; I308-W316 HydrophobicContact CG2-CG 4.49Å; I308-W316 HydrophobicContact CG2-CH2 4.28Å; I308-W316 HydrophobicContact CG2-CZ2 3.53Å; I308-W316 PolarHBondContact N-O 2.96Å; I308-W316 PolarHBondContact O-N 3.08Å; I308-W316 VanDerWaalsContact O-N 3.13Å; D310-W316 HydrophobicContact CB-CH2 3.63Å; D310-W316 HydrophobicContact CB-CZ3 3.46Å; D310-W316 VanDerWaalsContact CB-CZ3 3.46Å; H314-W316 HydrophobicContact CB-CZ3 4.28Å; H314-W316 AromaticContact CD2-CE3 3.42Å; H314-W316 VanDerWaalsContact CD2-CE3 3.42Å; H314-W316 AromaticContact CD2-CZ3 3.71Å; W316-H329 AromaticContact CD1-CD2 3.68Å; W316-H329 AromaticContact NE1-CD2 3.71Å; W316-D331 HydrophobicContact CB-CB 4.38Å; W316-Y343 AromaticContact CD2-CE2 3.77Å; W316-Y343 HydrophobicContact CD2-CE2 3.77Å; W316-Y343 AromaticContact CD2-CZ 3.71Å; W316-Y343 VanDerWaalsContact CD2-OH 3.26Å; W316-Y343 AromaticContact CE2-CE2 3.62Å; W316-Y343 HydrophobicContact CE3-CE1 4.32Å; W316-Y343 AromaticContact CE3-CE2 3.84Å; W316-Y343 HydrophobicContact CE3-CE2 3.84Å; W316-Y343 AromaticContact CE3-CZ 3.65Å; W316-Y343 AromaticContact CH2-CD2 3.77Å; W316-Y343 HydrophobicContact CH2-CD2 3.77Å; W316-Y343 AromaticContact CH2-CE2 3.58Å; W316-Y343 HydrophobicContact CH2-CE2 3.58Å; W316-Y343 HydrophobicContact CZ2-CD2 4.03Å; W316-Y343 AromaticContact CZ2-CE2 3.53Å; W316-Y343 HydrophobicContact CZ2-CE2 3.53Å; W316-Y343 HydrophobicContact CZ3-CD2 4.09Å; W316-Y343 HydrophobicContact CZ3-CE1 4.44Å; W316-Y343 AromaticContact CZ3-CE2 3.74Å; W316-Y343 HydrophobicContact CZ3-CE2 3.74Å; W316-Y343 AromaticContact CZ3-CZ 3.92Å; W316-V354 HydrophobicContact CH2-CG1 3.63Å; W316-V354 HydrophobicContact CH2-CG2 4.34Å; W316-V354 HydrophobicContact CZ2-CG1 3.45Å; W316-V354 VanDerWaalsContact CZ2-CG1 3.45Å; W316-Y369 AromaticContact CE2-CE1 3.66Å; W316-Y369 AromaticContact CE2-CZ 3.64Å; W316-Y369 HydrophobicContact CH2-CD1 4.38Å; W316-Y369 AromaticContact CZ2-CD1 3.58Å; W316-Y369 HydrophobicContact CZ2-CD1 3.58Å; W316-Y369 AromaticContact CZ2-CD2 3.9Å; W316-Y369 HydrophobicContact CZ2-CD2 3.9Å; W316-Y369 AromaticContact CZ2-CE1 3.48Å; W316-Y369 HydrophobicContact CZ2-CE1 3.48Å; W316-Y369 VanDerWaalsContact CZ2-CE1 3.48Å; W316-Y369 AromaticContact CZ2-CE2 3.76Å; W316-Y369 HydrophobicContact CZ2-CE2 3.76Å; W316-Y369 AromaticContact CZ2-CG 3.82Å; W316-Y369 HydrophobicContact CZ2-CG 3.82Å; W316-Y369 AromaticContact CZ2-CZ 3.56Å; W316-Y369 AromaticContact NE1-CE1 3.46Å; W316-Y369 AromaticContact NE1-CE2 3.96Å; W316-Y369 AromaticContact NE1-CZ 3.15Å; W316-Y369 PolarHBondContact NE1-OH 2.57Å
317T98.9Very high95.5Very high0 Ų031.1 Ų31.10%016%0.162CC..EExtended strand (participates in β ladder)trans-124.4146.1-176.5-53.30000111F294 T295 A305 R306 I319 C330F294-T317 HydrophobicContact CD1-CG2 4.37Å; F294-T317 HydrophobicContact CE1-CG2 4.46Å; T295-T317 HydrophobicContact CG2-CG2 4.32Å; T295-T317 PolarHBondContact OG1-OG1 3.47Å; A305-T317 HydrophobicContact CB-CG2 4.18Å; R306-T317 CarbonylContact O-C 3.57Å; R306-T317 VanDerWaalsContact O-CA 3.27Å; R306-T317 WeakPolarHBondContact O-CA 3.48Å; R306-T317 WeakPolarHBondContact O-CG2 3.1Å; T317-I319 HydrophobicContact CG2-CG1 4.09Å; T317-C330 CarbonylContact C-O 3.54Å; T317-C330 PolarHBondContact N-O 2.97Å; T317-C330 CarbonylContact O-C 3.49Å; T317-C330 WeakPolarHBondContact O-CA 3.45Å; T317-C330 WeakPolarHBondContact O-CB 3.4Å; T317-C330 PolarHBondContact O-N 3.27Å
318E98.8Very high95.3Very high0 Ų030.3 Ų30.30%016%0.158CC..EExtended strand (participates in β ladder)trans-110.3145.1158.9-73.2175.4160.100109.9A305 R306 I308 W327 L328 R368 Y369A305-E318 CarbonylContact C-O 3.57Å; A305-E318 WeakPolarHBondContact CA-O 3.29Å; R306-E318 HydrophobicContact CB-CB 4.19Å; R306-E318 VanDerWaalsContact CD-OE2 3.31Å; R306-E318 WeakPolarHBondContact CD-OE2 3.28Å; R306-E318 PolarHBondContact N-O 3.03Å; R306-E318 IonicContact NH1-OE2 3.1Å; R306-E318 PolarHBondContact NH1-OE2 3.42Å; R306-E318 VanDerWaalsContact NH1-OE2 3.17Å; R306-E318 PolarHBondContact O-N 2.66Å; I308-E318 HydrophobicContact CD1-CB 3.99Å; I308-E318 HydrophobicContact CD1-CG 3.58Å; I308-E318 HydrophobicContact CG1-CB 4.39Å; I308-E318 HydrophobicContact CG1-CG 3.87Å; E318-W327 HydrophobicContact CB-CB 4.45Å; E318-W327 HydrophobicContact CB-CE3 3.84Å; E318-L328 CarbonylContact C-O 3.51Å; E318-L328 WeakPolarHBondContact CA-O 3.41Å; E318-R368 WeakPolarHBondContact OE1-CD 3.38Å; E318-R368 IonicContact OE1-CZ 2.68Å; E318-R368 IonicContact OE1-NE 3.23Å; E318-R368 IonicContact OE1-NH1 3.83Å; E318-R368 PolarHBondContact OE1-NH1 2.76Å; E318-R368 IonicContact OE2-NH1 3.38Å; E318-R368 PolarHBondContact OE2-NH1 2.97Å; E318-Y369 WeakPolarHBondContact CG-OH 3.34Å; E318-Y369 PolarHBondContact OE1-OH 3.4Å; E318-Y369 VanDerWaalsContact OE1-OH 3.09Å
319I98.6Very high95.2Very high2 Ų230.4 Ų30.41%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-125.3131.3177-58175.4000109V209 F294 C298 L303 E304 T317 S321 L328 C330V209-I319 HydrophobicContact CB-CD1 4.37Å; V209-I319 HydrophobicContact CG1-CD1 3.78Å; V209-I319 HydrophobicContact CG2-CB 4.37Å; V209-I319 HydrophobicContact CG2-CD1 3.71Å; V209-I319 HydrophobicContact CG2-CG2 3.79Å; F294-I319 HydrophobicContact CE1-CD1 4.32Å; C298-I319 HydrophobicContact CB-CD1 4.34Å; C298-I319 VanDerWaalsContact SG-CD1 3.51Å; L303-I319 HydrophobicContact CB-CG2 4.05Å; L303-I319 HydrophobicContact CD1-CD1 4.46Å; L303-I319 HydrophobicContact CD1-CG2 4.45Å; E304-I319 WeakPolarHBondContact O-CA 3.48Å; T317-I319 HydrophobicContact CG2-CG1 4.09Å; I319-S321 PolarHBondContact O-N 2.91Å; I319-L328 PolarHBondContact N-O 2.95Å; I319-L328 WeakPolarHBondContact O-CB 3.38Å; I319-L328 PolarHBondContact O-N 2.98Å; I319-C330 HydrophobicContact CD1-CB 4.28Å; I319-C330 HydrophobicContact CG1-CB 4.46Å
320Y98.1Very high95.2Very high19 Ų1928.4 Ų28.48%0.07515%0.152CC..EExtended strand (participates in β ladder)trans-78124.1178.2-169.5-101.5000110.5E304 V322 W327 R414E304-Y320 PolarHBondContact O-N 3.37Å; Y320-V322 HydrophobicContact CD1-CG2 4.23Å; Y320-V322 HydrophobicContact CE1-CG2 4.43Å; Y320-W327 AromaticContact CD2-CD1 3.77Å; Y320-W327 AromaticContact CD2-CD2 3.85Å; Y320-W327 HydrophobicContact CD2-CD2 3.85Å; Y320-W327 AromaticContact CD2-CE2 3.61Å; Y320-W327 AromaticContact CD2-CG 3.95Å; Y320-W327 HydrophobicContact CD2-CG 3.95Å; Y320-W327 HydrophobicContact CD2-CZ2 4.18Å; Y320-W327 AromaticContact CD2-NE1 3.54Å; Y320-W327 HydrophobicContact CG-CD2 4.42Å; Y320-W327 HydrophobicContact CG-CZ2 4.44Å; Y320-R414 VanDerWaalsContact CD1-CZ 3.47Å; Y320-R414 VanDerWaalsContact CD1-NH1 3.27Å; Y320-R414 HydrophobicContact CE2-CG 3.93Å; Y320-R414 VanDerWaalsContact CZ-CZ 3.49Å; Y320-R414 VanDerWaalsContact CZ-NE 3.31Å; Y320-R414 WeakPolarHBondContact OH-CG 3.16Å; Y320-R414 PolarHBondContact OH-NE 3.26Å
321S96.1Very high95.1Very high2 Ų228.4 Ų28.41%0.01415%0.151CC..EExtended strand (participates in β ladder)trans-92110.8172.6174.40000109.2D206 I319 S323 Q324 H325 R326D206-S321 VanDerWaalsContact OD1-CB 3.24Å; D206-S321 WeakPolarHBondContact OD1-CB 3.45Å; D206-S321 PolarHBondContact OD1-OG 2.89Å; I319-S321 PolarHBondContact O-N 2.91Å; S321-S323 VanDerWaalsContact C-N 3.33Å; S321-S323 PolarHBondContact OG-OG 3.32Å; S321-S323 VanDerWaalsContact OG-OG 3.13Å; S321-Q324 PolarHBondContact O-N 3.26Å; S321-Q324 VanDerWaalsContact OG-CB 3.31Å; S321-Q324 WeakPolarHBondContact OG-CB 3.35Å; S321-Q324 WeakPolarHBondContact OG-CG 3.29Å; S321-Q324 PolarHBondContact OG-N 2.96Å; S321-Q324 VanDerWaalsContact OG-N 3.11Å; S321-H325 WeakPolarHBondContact O-CA 3.18Å; S321-H325 PolarHBondContact O-N 2.96Å; S321-R326 PolarHBondContact N-O 3.13Å; S321-R326 PolarHBondContact O-N 2.75Å
322V94.3Very high94.9Very high72 Ų7226.9 Ų26.944%0.43614%0.141SC..THydrogen-bonded Turntrans-63.4-42.1177.2179.20000110.7Y320 Q324 H325Y320-V322 HydrophobicContact CD1-CG2 4.23Å; Y320-V322 HydrophobicContact CE1-CG2 4.43Å; V322-Q324 PolarHBondContact O-N 3.46Å; V322-H325 PolarHBondContact O-CE1 2.79Å; V322-H325 PolarHBondContact O-N 3.38Å; V322-H325 PolarHBondContact O-ND1 2.63Å
323S91.7Very high94.4Very high35 Ų3524.9 Ų24.925%0.24513%0.129CC..THydrogen-bonded Turntrans-62.3-38.6177.226.70000113.6K201 G203 D206 S321K201-S323 VanDerWaalsContact O-CB 3.24Å; K201-S323 WeakPolarHBondContact O-CB 3.2Å; G203-S323 PolarHBondContact N-OG 3.49Å; D206-S323 VanDerWaalsContact CG-OG 3.28Å; D206-S323 PolarHBondContact OD1-OG 3.42Å; D206-S323 PolarHBondContact OD2-OG 2.93Å; S321-S323 VanDerWaalsContact C-N 3.33Å; S321-S323 PolarHBondContact OG-OG 3.32Å; S321-S323 VanDerWaalsContact OG-OG 3.13Å
324Q88.6Confident93.9Very high28 Ų2821.6 Ų21.613%0.13111%0.108CC..THydrogen-bonded Turntrans-96.1-3.4-179.3-59.7-178.465.700113.5L202 D206 S321 V322 R326L202-Q324 HydrophobicContact CD2-CG 4.28Å; D206-Q324 PolarHBondContact OD1-NE2 3.41Å; S321-Q324 PolarHBondContact O-N 3.26Å; S321-Q324 VanDerWaalsContact OG-CB 3.31Å; S321-Q324 WeakPolarHBondContact OG-CB 3.35Å; S321-Q324 WeakPolarHBondContact OG-CG 3.29Å; S321-Q324 PolarHBondContact OG-N 2.96Å; S321-Q324 VanDerWaalsContact OG-N 3.11Å; V322-Q324 PolarHBondContact O-N 3.46Å; Q324-R326 VanDerWaalsContact C-N 3.28Å; Q324-R326 HydrophobicContact CB-CG 4.05Å; Q324-R326 PolarHBondContact O-N 3.42Å
325H93.7Very high93.7Very high135 Ų13523.7 Ų23.763%0.62512%0.12SC*.THydrogen-bonded Turntrans50.542-177-59.4-77.7000113.9S321 V322S321-H325 WeakPolarHBondContact O-CA 3.18Å; S321-H325 PolarHBondContact O-N 2.96Å; V322-H325 PolarHBondContact O-CE1 2.79Å; V322-H325 PolarHBondContact O-N 3.38Å; V322-H325 PolarHBondContact O-ND1 2.63Å
326R94.6Very high93Very high37 Ų3724.1 Ų24.114%0.1412%0.123CC..EExtended strand (participates in β ladder)trans-157.8163.7-179.869.6-177.5-178.498.3-1.3112.9S321 Q324 L328 D338S321-R326 PolarHBondContact N-O 3.13Å; S321-R326 PolarHBondContact O-N 2.75Å; Q324-R326 VanDerWaalsContact C-N 3.28Å; Q324-R326 HydrophobicContact CB-CG 4.05Å; Q324-R326 PolarHBondContact O-N 3.42Å; R326-L328 HydrophobicContact CG-CD2 4.17Å; R326-L328 VanDerWaalsContact NH2-CD2 3.32Å; R326-D338 IonicContact CZ-OD1 2.79Å; R326-D338 IonicContact CZ-OD2 3.55Å; R326-D338 IonicContact NH1-OD1 3.49Å; R326-D338 PolarHBondContact NH1-OD1 2.96Å; R326-D338 IonicContact NH1-OD2 3.59Å; R326-D338 IonicContact NH2-OD1 3.2Å; R326-D338 PolarHBondContact NH2-OD1 3.32Å; R326-D338 IonicContact NH2-OD2 3.78Å; R326-D338 PolarHBondContact NH2-OD2 2.78Å
327W97.6Very high92.6Very high6 Ų624.3 Ų24.32%0.02312%0.124CC..EExtended strand (participates in β ladder)trans-76.9136.6169.7-66.391.4000111.5E304 R306 E318 Y320 E418E304-W327 HydrophobicContact CB-CH2 4.34Å; R306-W327 HydrophobicContact CB-CZ3 4.31Å; R306-W327 HydrophobicContact CG-CE3 4.2Å; R306-W327 HydrophobicContact CG-CH2 3.72Å; R306-W327 HydrophobicContact CG-CZ2 4.34Å; R306-W327 HydrophobicContact CG-CZ3 3.64Å; R306-W327 VanDerWaalsContact CZ-CZ2 3.43Å; R306-W327 VanDerWaalsContact NE-CE2 3.27Å; R306-W327 VanDerWaalsContact NH1-CD1 3.31Å; R306-W327 VanDerWaalsContact NH2-CE2 3.31Å; E318-W327 HydrophobicContact CB-CB 4.45Å; E318-W327 HydrophobicContact CB-CE3 3.84Å; Y320-W327 AromaticContact CD2-CD1 3.77Å; Y320-W327 AromaticContact CD2-CD2 3.85Å; Y320-W327 HydrophobicContact CD2-CD2 3.85Å; Y320-W327 AromaticContact CD2-CE2 3.61Å; Y320-W327 AromaticContact CD2-CG 3.95Å; Y320-W327 HydrophobicContact CD2-CG 3.95Å; Y320-W327 HydrophobicContact CD2-CZ2 4.18Å; Y320-W327 AromaticContact CD2-NE1 3.54Å; Y320-W327 HydrophobicContact CG-CD2 4.42Å; Y320-W327 HydrophobicContact CG-CZ2 4.44Å; W327-E418 VanDerWaalsContact CD1-OE2 3.31Å; W327-E418 PolarHBondContact NE1-OE2 3.29Å
328L95.9Very high92.2Very high1 Ų124.5 Ų24.51%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-107.3126.2175.7-55.8-175.2000109E318 I319 R326 W443E318-L328 CarbonylContact C-O 3.51Å; E318-L328 WeakPolarHBondContact CA-O 3.41Å; I319-L328 PolarHBondContact N-O 2.95Å; I319-L328 WeakPolarHBondContact O-CB 3.38Å; I319-L328 PolarHBondContact O-N 2.98Å; R326-L328 HydrophobicContact CG-CD2 4.17Å; R326-L328 VanDerWaalsContact NH2-CD2 3.32Å; L328-W443 HydrophobicContact CD1-CH2 3.71Å; L328-W443 HydrophobicContact CD1-CZ2 3.98Å; L328-W443 HydrophobicContact CD2-CZ2 4.32Å
329H97.3Very high91.4Very high2 Ų227.2 Ų27.21%0.00914%0.137CC..EExtended strand (participates in β ladder)trans-59.4134.7166.1158.7-93.8000110.2W316 C337 D338 K339 P340 Y343 Y369W316-H329 AromaticContact CD1-CD2 3.68Å; W316-H329 AromaticContact NE1-CD2 3.71Å; H329-C337 CarbonylContact O-C 3.59Å; H329-C337 WeakPolarHBondContact O-CA 3.47Å; H329-D338 PolarHBondContact O-N 3.27Å; H329-K339 PolarHBondContact ND1-N 3.43Å; H329-P340 HydrophobicContact CB-CB 4.29Å; H329-Y343 AromaticContact CD2-CE2 3.97Å; H329-Y343 AromaticContact NE2-CE2 3.59Å; H329-Y343 AromaticContact NE2-CZ 3.44Å; H329-Y343 PolarHBondContact NE2-OH 3.27Å; H329-Y369 HydrophobicContact CB-CE1 4.16Å; H329-Y369 AromaticContact CD2-CE1 3.47Å; H329-Y369 VanDerWaalsContact CD2-CE1 3.47Å; H329-Y369 WeakPolarHBondContact CD2-CE1 3.5Å
330C97.6Very high91Very high0 Ų027.1 Ų27.10%014%0.137CC..EExtended strand (participates in β ladder)trans-140.4114.9176.4-68.80000109.9L213 F294 T317 I319 V336L213-C330 HydrophobicContact CD1-CB 4.46Å; L213-C330 HydrophobicContact CD2-CB 4.44Å; F294-C330 HydrophobicContact CE1-CB 4.32Å; T317-C330 CarbonylContact C-O 3.54Å; T317-C330 PolarHBondContact N-O 2.97Å; T317-C330 CarbonylContact O-C 3.49Å; T317-C330 WeakPolarHBondContact O-CA 3.45Å; T317-C330 WeakPolarHBondContact O-CB 3.4Å; T317-C330 PolarHBondContact O-N 3.27Å; I319-C330 HydrophobicContact CD1-CB 4.28Å; I319-C330 HydrophobicContact CG1-CB 4.46Å; C330-V336 WeakPolarHBondContact CA-O 3.34Å
331D94.6Very high90.4Very high0 Ų026.3 Ų26.30%013%0.133CC..EExtended strand (participates in β ladder)trans-110.7108.3174-164-43.1000109.5H314 W316 C333 E334 N335 V336 Y343H314-D331 IonicContact CD2-OD2 2.74Å; H314-D331 IonicContact CE1-OD2 3.71Å; H314-D331 IonicContact NE2-OD2 3.31Å; H314-D331 PolarHBondContact NE2-OD2 3.33Å; W316-D331 HydrophobicContact CB-CB 4.38Å; D331-C333 WeakPolarHBondContact OD1-CB 3.46Å; D331-C333 PolarHBondContact OD1-N 2.84Å; D331-E334 HydrophobicContact CB-CB 4.28Å; D331-E334 PolarHBondContact O-N 3.43Å; D331-E334 PolarHBondContact OD1-N 3.17Å; D331-N335 WeakPolarHBondContact O-CA 3.44Å; D331-N335 PolarHBondContact O-N 3.11Å; D331-V336 PolarHBondContact N-O 3.36Å; D331-V336 PolarHBondContact O-N 2.73Å; D331-Y343 WeakPolarHBondContact OD2-CE1 3.31Å; D331-Y343 PolarHBondContact OD2-OH 2.94Å
332S93.1Very high89.7Confident1 Ų126.8 Ų26.81%0.00714%0.136CC..THydrogen-bonded Turntrans-73.3-28.1-178.260.60000112.9W290 F294 E334W290-S332 VanDerWaalsContact CZ3-O 3.23Å; W290-S332 WeakPolarHBondContact CZ3-O 3.35Å; F294-S332 VanDerWaalsContact CG-CB 3.47Å; S332-E334 VanDerWaalsContact C-N 3.28Å; S332-E334 PolarHBondContact O-N 2.94Å
333C79.4Confident89.2Confident5 Ų523.3 Ų23.33%0.03412%0.115CC..THydrogen-bonded Turntrans-63.4-39.9173.5-69.20000110.5K217 C287 W290 D331K217-C333 PolarHBondContact NZ-O 2.95Å; C287-C333 VanDerWaalsContact CA-SG 3.59Å; W290-C333 WeakPolarHBondContact CB-SG 3.39Å; W290-C333 HydrophobicContact CE3-CB 4.5Å; D331-C333 WeakPolarHBondContact OD1-CB 3.46Å; D331-C333 PolarHBondContact OD1-N 2.84Å
334E78Confident89Confident80 Ų8022 Ų2237%0.37411%0.105SC..THydrogen-bonded Turntrans-93.2-11.6-176.5-57.8-52.8131.100113.3D331 S332 V336 L342 W347D331-E334 HydrophobicContact CB-CB 4.28Å; D331-E334 PolarHBondContact O-N 3.43Å; D331-E334 PolarHBondContact OD1-N 3.17Å; S332-E334 VanDerWaalsContact C-N 3.28Å; S332-E334 PolarHBondContact O-N 2.94Å; E334-V336 VanDerWaalsContact C-N 3.26Å; E334-V336 HydrophobicContact CB-CB 4.07Å; E334-V336 HydrophobicContact CB-CG2 3.6Å; E334-L342 HydrophobicContact CB-CD2 4.44Å; E334-L342 HydrophobicContact CG-CD2 4.22Å; E334-W347 HydrophobicContact CG-CZ2 3.9Å
335N85.3Confident88.5Confident57 Ų5723.5 Ų23.531%0.30511%0.113SC..THydrogen-bonded Turntrans51.849.2-166.817848.8000110.8L213 R214 K217 D331L213-N335 VanDerWaalsContact C-OD1 3.23Å; L213-N335 VanDerWaalsContact CB-OD1 3.26Å; L213-N335 WeakPolarHBondContact CB-OD1 3.42Å; R214-N335 WeakPolarHBondContact CA-OD1 3.26Å; R214-N335 PolarHBondContact N-OD1 2.82Å; R214-N335 VanDerWaalsContact N-OD1 3.17Å; K217-N335 HydrophobicContact CB-CB 4.13Å; K217-N335 HydrophobicContact CD-CB 3.36Å; K217-N335 HydrophobicContact CG-CB 4.36Å; D331-N335 WeakPolarHBondContact O-CA 3.44Å; D331-N335 PolarHBondContact O-N 3.11Å
336V83.3Confident87.5Confident24 Ų2418.8 Ų18.815%0.14510%0.101CC..EExtended strand (participates in β ladder)trans-117.2136.8-177.6171.30000109.8C330 D331 E334 K339 L342C330-V336 WeakPolarHBondContact CA-O 3.34Å; D331-V336 PolarHBondContact N-O 3.36Å; D331-V336 PolarHBondContact O-N 2.73Å; E334-V336 VanDerWaalsContact C-N 3.26Å; E334-V336 HydrophobicContact CB-CB 4.07Å; E334-V336 HydrophobicContact CB-CG2 3.6Å; V336-K339 HydrophobicContact CG1-CB 3.6Å; V336-K339 HydrophobicContact CG1-CD 3.73Å; V336-K339 HydrophobicContact CG1-CG 3.72Å; V336-L342 HydrophobicContact CB-CD2 4.43Å; V336-L342 HydrophobicContact CG1-CD2 4.28Å; V336-L342 HydrophobicContact CG2-CD2 4.41Å
337C89.6Confident86.7Confident5 Ų522.4 Ų22.43%0.03412%0.115CC..EExtended strand (participates in β ladder)trans-128.9135.9173.8-178.60000110.7L210 L213 H329 K339 R447L210-C337 HydrophobicContact CD2-CB 3.54Å; L213-C337 HydrophobicContact CD1-CB 3.76Å; H329-C337 CarbonylContact O-C 3.59Å; H329-C337 WeakPolarHBondContact O-CA 3.47Å; C337-K339 PolarHBondContact O-N 2.87Å; C337-R447 WeakPolarHBondContact O-CD 3.47Å; C337-R447 PolarHBondContact O-NH1 3.36Å
338D89.2Confident85.7Confident3 Ų324.5 Ų24.52%0.01614%0.139CC..SBendtrans5845.2174.6-170.644.1000113.2R326 H329 G435 W443 R447R326-D338 IonicContact CZ-OD1 2.79Å; R326-D338 IonicContact CZ-OD2 3.55Å; R326-D338 IonicContact NH1-OD1 3.49Å; R326-D338 PolarHBondContact NH1-OD1 2.96Å; R326-D338 IonicContact NH1-OD2 3.59Å; R326-D338 IonicContact NH2-OD1 3.2Å; R326-D338 PolarHBondContact NH2-OD1 3.32Å; R326-D338 IonicContact NH2-OD2 3.78Å; R326-D338 PolarHBondContact NH2-OD2 2.78Å; H329-D338 PolarHBondContact O-N 3.27Å; D338-G435 WeakPolarHBondContact O-CA 3.32Å; D338-W443 HydrophobicContact CB-CZ2 3.85Å; D338-W443 PolarHBondContact OD2-NE1 3.36Å; D338-R447 PolarHBondContact O-NH1 2.92Å; D338-R447 IonicContact OD2-NH1 3.7Å
339K83Confident85.1Confident57 Ų5726.3 Ų26.325%0.24815%0.146CC..  trans-128.966.8171.5-57.3-171.6-178.31780111.5H329 V336 C337 L341 L342 E449H329-K339 PolarHBondContact ND1-N 3.43Å; V336-K339 HydrophobicContact CG1-CB 3.6Å; V336-K339 HydrophobicContact CG1-CD 3.73Å; V336-K339 HydrophobicContact CG1-CG 3.72Å; C337-K339 PolarHBondContact O-N 2.87Å; K339-L341 VanDerWaalsContact C-N 3.29Å; K339-L341 PolarHBondContact O-N 2.91Å; K339-L342 WeakPolarHBondContact O-CB 3.35Å; K339-L342 PolarHBondContact O-N 2.87Å; K339-L342 VanDerWaalsContact O-N 3.1Å; K339-E449 WeakPolarHBondContact CE-OE1 3.4Å; K339-E449 IonicContact NZ-OE1 2.81Å; K339-E449 PolarHBondContact NZ-OE1 3.18Å
340P89.2Confident85Confident1 Ų133.8 Ų33.81%0.00618%0.179CC..G310 helixtrans-67.4-21.7-171.828.2-37000114.5H329 L342 R368 Y369 G434H329-P340 HydrophobicContact CB-CB 4.29Å; P340-L342 PolarHBondContact O-N 2.81Å; P340-R368 HydrophobicContact CB-CG 3.92Å; P340-R368 WeakPolarHBondContact CB-O 3.31Å; P340-R368 HydrophobicContact CG-CG 4.29Å; P340-Y369 HydrophobicContact CB-CD1 3.69Å; P340-Y369 HydrophobicContact CB-CE1 3.7Å; P340-Y369 HydrophobicContact CB-CG 4.45Å; P340-Y369 VanDerWaalsContact O-CD1 3.22Å; P340-Y369 WeakPolarHBondContact O-CD1 3.23Å; P340-G434 WeakPolarHBondContact CD-O 3.47Å
341L86.1Confident84.9Confident1 Ų133.8 Ų33.81%0.00518%0.179CC..G310 helixtrans-86.18.7175.3-51.1-178.4000113.4K339 Y343 I345 G346 C371 K426 P428 L433K339-L341 VanDerWaalsContact C-N 3.29Å; K339-L341 PolarHBondContact O-N 2.91Å; L341-Y343 PolarHBondContact O-N 3.2Å; L341-Y343 VanDerWaalsContact O-N 3.17Å; L341-I345 HydrophobicContact CB-CB 4.25Å; L341-I345 HydrophobicContact CB-CG1 3.96Å; L341-I345 HydrophobicContact CD1-CG1 4.26Å; L341-I345 WeakPolarHBondContact O-CB 3.39Å; L341-I345 PolarHBondContact O-N 3.41Å; L341-G346 PolarHBondContact O-N 3Å; L341-C371 HydrophobicContact CD1-CB 3.93Å; L341-C371 HydrophobicContact CD2-CB 4.39Å; L341-K426 HydrophobicContact CD1-CB 4.38Å; L341-P428 HydrophobicContact CD1-CB 4.18Å; L341-P428 HydrophobicContact CD1-CG 4.1Å; L341-L433 CarbonylContact C-O 3.51Å; L341-L433 VanDerWaalsContact C-O 3.32Å; L341-L433 WeakPolarHBondContact CA-O 3.37Å; L341-L433 WeakPolarHBondContact CB-O 3.46Å; L341-L433 PolarHBondContact N-O 3.27Å; L341-L433 VanDerWaalsContact N-O 3.14Å
342L81Confident85Confident12 Ų1234.3 Ų34.36%0.06318%0.183CC..G310 helixtrans-47.7-41.7171.8172.262.8000111.9E334 V336 K339 P340 G346 W347 L433E334-L342 HydrophobicContact CB-CD2 4.44Å; E334-L342 HydrophobicContact CG-CD2 4.22Å; V336-L342 HydrophobicContact CB-CD2 4.43Å; V336-L342 HydrophobicContact CG1-CD2 4.28Å; V336-L342 HydrophobicContact CG2-CD2 4.41Å; K339-L342 WeakPolarHBondContact O-CB 3.35Å; K339-L342 PolarHBondContact O-N 2.87Å; K339-L342 VanDerWaalsContact O-N 3.1Å; P340-L342 PolarHBondContact O-N 2.81Å; L342-G346 CarbonylContact O-C 3.53Å; L342-G346 WeakPolarHBondContact O-CA 3.34Å; L342-G346 PolarHBondContact O-N 3.06Å; L342-W347 PolarHBondContact O-N 2.81Å; L342-L433 HydrophobicContact CD1-CD1 3.67Å; L342-L433 PolarHBondContact N-O 3.48Å
343Y84.5Confident85.3Confident0 Ų034.3 Ų34.30%018%0.183CC..THydrogen-bonded Turntrans-79.3-52.7-173.7-47-59.2000112.7H314 W316 H329 D331 L341 W347 G348 K349 Y369H314-Y343 AromaticContact CD2-CD1 3.98Å; H314-Y343 AromaticContact CD2-CE1 3.47Å; H314-Y343 VanDerWaalsContact CD2-CE1 3.47Å; H314-Y343 WeakPolarHBondContact CD2-CE1 3.23Å; H314-Y343 AromaticContact CD2-CZ 3.99Å; H314-Y343 AromaticContact NE2-CE1 3.6Å; W316-Y343 AromaticContact CD2-CE2 3.77Å; W316-Y343 HydrophobicContact CD2-CE2 3.77Å; W316-Y343 AromaticContact CD2-CZ 3.71Å; W316-Y343 VanDerWaalsContact CD2-OH 3.26Å; W316-Y343 AromaticContact CE2-CE2 3.62Å; W316-Y343 HydrophobicContact CE3-CE1 4.32Å; W316-Y343 AromaticContact CE3-CE2 3.84Å; W316-Y343 HydrophobicContact CE3-CE2 3.84Å; W316-Y343 AromaticContact CE3-CZ 3.65Å; W316-Y343 AromaticContact CH2-CD2 3.77Å; W316-Y343 HydrophobicContact CH2-CD2 3.77Å; W316-Y343 AromaticContact CH2-CE2 3.58Å; W316-Y343 HydrophobicContact CH2-CE2 3.58Å; W316-Y343 HydrophobicContact CZ2-CD2 4.03Å; W316-Y343 AromaticContact CZ2-CE2 3.53Å; W316-Y343 HydrophobicContact CZ2-CE2 3.53Å; W316-Y343 HydrophobicContact CZ3-CD2 4.09Å; W316-Y343 HydrophobicContact CZ3-CE1 4.44Å; W316-Y343 AromaticContact CZ3-CE2 3.74Å; W316-Y343 HydrophobicContact CZ3-CE2 3.74Å; W316-Y343 AromaticContact CZ3-CZ 3.92Å; H329-Y343 AromaticContact CD2-CE2 3.97Å; H329-Y343 AromaticContact NE2-CE2 3.59Å; H329-Y343 AromaticContact NE2-CZ 3.44Å; H329-Y343 PolarHBondContact NE2-OH 3.27Å; D331-Y343 WeakPolarHBondContact OD2-CE1 3.31Å; D331-Y343 PolarHBondContact OD2-OH 2.94Å; L341-Y343 PolarHBondContact O-N 3.2Å; L341-Y343 VanDerWaalsContact O-N 3.17Å; Y343-W347 HydrophobicContact CD1-CD2 4.38Å; Y343-W347 HydrophobicContact CD1-CE3 4.13Å; Y343-W347 HydrophobicContact CD1-CH2 4.33Å; Y343-W347 HydrophobicContact CD1-CZ3 4.08Å; Y343-W347 HydrophobicContact CE1-CH2 4.27Å; Y343-W347 HydrophobicContact CE1-CZ3 4.39Å; Y343-W347 WeakPolarHBondContact O-CB 3.46Å; Y343-W347 PolarHBondContact O-N 3.26Å; Y343-G348 PolarHBondContact O-N 2.6Å; Y343-K349 WeakPolarHBondContact O-CB 3.33Å; Y343-K349 PolarHBondContact O-N 3.13Å; Y343-Y369 AromaticContact CD2-CD1 3.83Å; Y343-Y369 HydrophobicContact CD2-CD1 3.83Å; Y343-Y369 HydrophobicContact CD2-CE1 4.42Å; Y343-Y369 AromaticContact CE2-CD1 3.79Å; Y343-Y369 HydrophobicContact CE2-CD1 3.79Å; Y343-Y369 AromaticContact CE2-CE1 3.92Å; Y343-Y369 HydrophobicContact CE2-CE1 3.92Å
344E86.9Confident86.2Confident8 Ų834 Ų344%0.03718%0.181CC..THydrogen-bonded Turntrans-73-43.7-176.9-177.8175.682.400112.5G348 L351 S370 C371 K372E344-G348 VanDerWaalsContact O-CA 3.28Å; E344-G348 WeakPolarHBondContact O-CA 3.25Å; E344-L351 HydrophobicContact CB-CD1 3.97Å; E344-L351 HydrophobicContact CB-CG 4.48Å; E344-S370 VanDerWaalsContact CD-OG 3.23Å; E344-S370 WeakPolarHBondContact OE1-CA 3.42Å; E344-S370 PolarHBondContact OE1-OG 3.48Å; E344-S370 VanDerWaalsContact OE2-CB 3.31Å; E344-S370 WeakPolarHBondContact OE2-CB 3.33Å; E344-S370 PolarHBondContact OE2-OG 3.37Å; E344-C371 PolarHBondContact OE1-N 3.1Å; E344-C371 PolarHBondContact OE1-SG 3.45Å; E344-C371 VanDerWaalsContact OE1-SG 3.36Å; E344-K372 HydrophobicContact CG-CD 4.36Å; E344-K372 PolarHBondContact OE1-N 2.81Å
345I79.6Confident87.2Confident58 Ų5830.2 Ų30.230%0.29716%0.164SC..THydrogen-bonded Turntrans-91.9-44.2-176.9-61.6-59.2000111.1L341 P428 L433L341-I345 HydrophobicContact CB-CB 4.25Å; L341-I345 HydrophobicContact CB-CG1 3.96Å; L341-I345 HydrophobicContact CD1-CG1 4.26Å; L341-I345 WeakPolarHBondContact O-CB 3.39Å; L341-I345 PolarHBondContact O-N 3.41Å; I345-P428 HydrophobicContact CD1-CG 4.37Å; I345-P428 HydrophobicContact CG1-CG 4.24Å; I345-L433 HydrophobicContact CG2-CD2 4.27Å
346G72.6Confident87.8Confident36 Ų3627.5 Ų27.537%0.37115%0.149SC..THydrogen-bonded Turntrans-73-54.8-177.300000112.7L341 L342L341-G346 PolarHBondContact O-N 3Å; L342-G346 CarbonylContact O-C 3.53Å; L342-G346 WeakPolarHBondContact O-CA 3.34Å; L342-G346 PolarHBondContact O-N 3.06Å
347W76.1Confident88.5Confident113 Ų11326.4 Ų26.443%0.42814%0.142SC..SBendtrans-89.3-7.3-178.2-60.3-0.4000113.3H314 E334 L342 Y343 K349H314-W347 AromaticContact CE1-CH2 3.94Å; H314-W347 AromaticContact NE2-CH2 3.74Å; E334-W347 HydrophobicContact CG-CZ2 3.9Å; L342-W347 PolarHBondContact O-N 2.81Å; Y343-W347 HydrophobicContact CD1-CD2 4.38Å; Y343-W347 HydrophobicContact CD1-CE3 4.13Å; Y343-W347 HydrophobicContact CD1-CH2 4.33Å; Y343-W347 HydrophobicContact CD1-CZ3 4.08Å; Y343-W347 HydrophobicContact CE1-CH2 4.27Å; Y343-W347 HydrophobicContact CE1-CZ3 4.39Å; Y343-W347 WeakPolarHBondContact O-CB 3.46Å; Y343-W347 PolarHBondContact O-N 3.26Å; W347-K349 HydrophobicContact CB-CG 4.02Å; W347-K349 HydrophobicContact CE3-CD 3.89Å; W347-K349 HydrophobicContact CE3-CG 4.27Å; W347-K349 HydrophobicContact CZ3-CD 4.48Å; W347-K349 PolarHBondContact O-N 2.84Å
348G77.9Confident89Confident51 Ų5126.5 Ų26.553%0.52614%0.143SC..  trans66.722.1-175.100000113.5Y343 E344 K350Y343-G348 PolarHBondContact O-N 2.6Å; E344-G348 VanDerWaalsContact O-CA 3.28Å; E344-G348 WeakPolarHBondContact O-CA 3.25Å; G348-K350 PolarHBondContact O-N 2.98Å
349K83.4Confident89.4Confident38 Ų3829.7 Ų29.717%0.16516%0.156CC..  trans-63.5136-179.8-68.6-167.584.8-176.40110.5D310 T312 H314 Y343 W347 L351D310-K349 IonicContact OD2-NZ 2.74Å; D310-K349 PolarHBondContact OD2-NZ 3.48Å; T312-K349 WeakPolarHBondContact O-CE 3.4Å; T312-K349 PolarHBondContact O-NZ 2.93Å; T312-K349 WeakPolarHBondContact OG1-CE 3.28Å; T312-K349 PolarHBondContact OG1-NZ 2.82Å; H314-K349 VanDerWaalsContact CB-NZ 3.27Å; Y343-K349 WeakPolarHBondContact O-CB 3.33Å; Y343-K349 PolarHBondContact O-N 3.13Å; W347-K349 HydrophobicContact CB-CG 4.02Å; W347-K349 HydrophobicContact CE3-CD 3.89Å; W347-K349 HydrophobicContact CE3-CG 4.27Å; W347-K349 HydrophobicContact CZ3-CD 4.48Å; W347-K349 PolarHBondContact O-N 2.84Å; K349-L351 HydrophobicContact CB-CD2 4.08Å; K349-L351 HydrophobicContact CB-CG 4.47Å; K349-L351 HydrophobicContact CD-CD2 4.49Å; K349-L351 PolarHBondContact O-N 2.89Å
350K93.9Very high90Very high159 Ų15927.5 Ų27.569%0.69115%0.147SC*.  trans-88.476.8174.2-63.6-177-178.61800110G348G348-K350 PolarHBondContact O-N 2.98Å
351L95.8Very high90.4Very high0 Ų027.6 Ų27.60%015%0.148CC..  trans-61.2152.2-176.4-58.8175.1000112.6D310 E344 K349 Y369 V376 R379D310-L351 WeakPolarHBondContact OD2-CD2 3.47Å; E344-L351 HydrophobicContact CB-CD1 3.97Å; E344-L351 HydrophobicContact CB-CG 4.48Å; K349-L351 HydrophobicContact CB-CD2 4.08Å; K349-L351 HydrophobicContact CB-CG 4.47Å; K349-L351 HydrophobicContact CD-CD2 4.49Å; K349-L351 PolarHBondContact O-N 2.89Å; L351-Y369 VanDerWaalsContact CD1-O 3.24Å; L351-Y369 WeakPolarHBondContact CD1-O 3.12Å; L351-V376 HydrophobicContact CB-CG2 4.42Å; L351-R379 PolarHBondContact O-NE 3.45Å; L351-R379 PolarHBondContact O-NH2 2.92Å
352A97.4Very high91Very high11 Ų1127.6 Ų27.69%0.09115%0.148CC..  trans-133.3-67174.800000111.9T366 R379 R380A352-T366 WeakPolarHBondContact O-CG2 3.44Å; A352-R379 HydrophobicContact CB-CB 4.16Å; A352-R380 HydrophobicContact CB-CG 4.47Å; A352-R380 VanDerWaalsContact O-CD 3.29Å; A352-R380 WeakPolarHBondContact O-CD 3.42Å; A352-R380 WeakPolarHBondContact O-CG 3.31Å; A352-R380 PolarHBondContact O-NH1 3.5Å
353Y98.3Very high91.8Very high1 Ų127.3 Ų27.30%0.00415%0.147CC..  trans-121.3127.1177.5-54.1-92.1000110.3F150 S311 R380 T381 R382 V383 L388F150-Y353 AromaticContact CE2-CD1 3.97Å; F150-Y353 HydrophobicContact CE2-CD1 3.97Å; F150-Y353 HydrophobicContact CE2-CD2 4.1Å; F150-Y353 HydrophobicContact CE2-CE1 4.22Å; F150-Y353 HydrophobicContact CE2-CE2 4.36Å; F150-Y353 AromaticContact CE2-CG 3.9Å; F150-Y353 HydrophobicContact CE2-CG 3.9Å; F150-Y353 AromaticContact CZ-CD1 3.72Å; F150-Y353 HydrophobicContact CZ-CD1 3.72Å; F150-Y353 HydrophobicContact CZ-CE1 4.2Å; F150-Y353 AromaticContact CZ-CG 3.92Å; F150-Y353 HydrophobicContact CZ-CG 3.92Å; S311-Y353 PolarHBondContact N-O 2.9Å; S311-Y353 PolarHBondContact OG-N 3.01Å; S311-Y353 PolarHBondContact OG-O 3.05Å; Y353-R380 HydrophobicContact CD1-CG 4.39Å; Y353-R380 HydrophobicContact CE1-CB 4.11Å; Y353-R380 HydrophobicContact CE1-CG 4.05Å; Y353-R380 HydrophobicContact CE2-CB 4.39Å; Y353-R380 HydrophobicContact CE2-CG 4.32Å; Y353-R380 WeakPolarHBondContact OH-CA 3.44Å; Y353-R380 PolarHBondContact OH-O 3.45Å; Y353-T381 PolarHBondContact OH-N 3.39Å; Y353-R382 HydrophobicContact CE2-CB 3.82Å; Y353-R382 HydrophobicContact CE2-CG 3.94Å; Y353-R382 PolarHBondContact OH-N 3.48Å; Y353-V383 HydrophobicContact CE1-CG2 4.04Å; Y353-V383 PolarHBondContact OH-N 2.97Å; Y353-L388 HydrophobicContact CD1-CD2 4.19Å; Y353-L388 HydrophobicContact CE1-CD2 4.28Å
354V98.7Very high92.5Very high0 Ų028.5 Ų28.50%015%0.153CC..EExtended strand (participates in β ladder)trans-129114.5171.3-1710000108.8I308 W309 D310 W316 V365 T366 Y369I308-V354 HydrophobicContact CG2-CG1 3.4Å; I308-V354 VanDerWaalsContact CG2-CG1 3.4Å; W309-V354 CarbonylContact O-C 3.55Å; W309-V354 WeakPolarHBondContact O-CA 3.31Å; D310-V354 HydrophobicContact CB-CG1 4.49Å; D310-V354 HydrophobicContact CB-CG2 4.23Å; W316-V354 HydrophobicContact CH2-CG1 3.63Å; W316-V354 HydrophobicContact CH2-CG2 4.34Å; W316-V354 HydrophobicContact CZ2-CG1 3.45Å; W316-V354 VanDerWaalsContact CZ2-CG1 3.45Å; V354-V365 HydrophobicContact CB-CG2 4.41Å; V354-V365 HydrophobicContact CG1-CG2 3.91Å; V354-V365 WeakPolarHBondContact O-CG2 3.34Å; V354-V365 PolarHBondContact O-N 3.11Å; V354-T366 PolarHBondContact N-OG1 3.44Å; V354-T366 PolarHBondContact O-N 2.99Å; V354-T366 VanDerWaalsContact O-N 3.17Å; V354-T366 PolarHBondContact O-OG1 3.49Å; V354-Y369 HydrophobicContact CB-CD2 4.29Å; V354-Y369 HydrophobicContact CG1-CD2 3.74Å; V354-Y369 HydrophobicContact CG1-CE2 4.06Å; V354-Y369 HydrophobicContact CG1-CG 4.42Å
355L98.8Very high93.1Very high0 Ų028.1 Ų28.10%015%0.151CC..EExtended strand (participates in β ladder)trans-121.3133.1-170.2-53.3175000110F150 L154 I308 W309 F357 D364F150-L355 HydrophobicContact CE1-CD1 3.71Å; F150-L355 HydrophobicContact CZ-CD1 3.73Å; L154-L355 HydrophobicContact CD2-CD1 3.53Å; L154-L355 HydrophobicContact CG-CD1 4.49Å; I308-L355 WeakPolarHBondContact CA-O 3.22Å; W309-L355 HydrophobicContact CE3-CB 4.34Å; W309-L355 HydrophobicContact CE3-CD1 3.85Å; W309-L355 HydrophobicContact CE3-CG 4.13Å; W309-L355 HydrophobicContact CZ3-CD1 3.82Å; W309-L355 HydrophobicContact CZ3-CG 4.37Å; W309-L355 PolarHBondContact N-O 3.05Å; W309-L355 PolarHBondContact O-N 2.87Å; L355-F357 HydrophobicContact CB-CE2 3.69Å; L355-F357 HydrophobicContact CB-CZ 3.86Å; L355-F357 HydrophobicContact CD1-CZ 4.39Å; L355-F357 WeakPolarHBondContact O-CE2 3.37Å; L355-D364 HydrophobicContact CD2-CB 3.92Å
356A98.8Very high94Very high0 Ų025.4 Ų25.40%014%0.137CC..EExtended strand (participates in β ladder)trans-103.1134.1-179.900000111.1R306 I308 V362 V363 V365R306-A356 HydrophobicContact CB-CB 4.18Å; R306-A356 HydrophobicContact CG-CB 4.3Å; I308-A356 HydrophobicContact CD1-CB 3.31Å; A356-V362 CarbonylContact O-C 3.49Å; A356-V362 WeakPolarHBondContact O-CA 3.41Å; A356-V363 PolarHBondContact N-O 3.05Å; A356-V363 PolarHBondContact O-N 3.05Å; A356-V365 HydrophobicContact CB-CB 4.44Å; A356-V365 HydrophobicContact CB-CG1 3.64Å; A356-V365 HydrophobicContact CB-CG2 3.89Å
357F98.8Very high95.2Very high1 Ų126.2 Ų26.20%0.00413%0.129CC..EExtended strand (participates in β ladder)trans-123.8126-178.3-58.4-91.5000109.9L154 N157 F158 V161 R306 Y307 W309 L355 V362L154-F357 HydrophobicContact CD2-CE1 4.02Å; L154-F357 HydrophobicContact CD2-CZ 3.95Å; L154-F357 VanDerWaalsContact O-CE1 3.31Å; L154-F357 WeakPolarHBondContact O-CE1 3.48Å; N157-F357 HydrophobicContact CB-CD1 3.72Å; N157-F357 HydrophobicContact CB-CD2 3.82Å; N157-F357 HydrophobicContact CB-CE1 3.63Å; N157-F357 HydrophobicContact CB-CE2 3.71Å; N157-F357 HydrophobicContact CB-CG 3.83Å; N157-F357 HydrophobicContact CB-CZ 3.62Å; F158-F357 HydrophobicContact CB-CD1 3.93Å; F158-F357 HydrophobicContact CB-CE1 4.41Å; V161-F357 HydrophobicContact CG1-CB 3.66Å; V161-F357 HydrophobicContact CG2-CB 4.22Å; R306-F357 CarbonylContact C-O 3.55Å; R306-F357 WeakPolarHBondContact CA-O 3.26Å; Y307-F357 HydrophobicContact CD1-CD2 4.47Å; Y307-F357 PolarHBondContact N-O 2.97Å; Y307-F357 PolarHBondContact O-N 2.93Å; W309-F357 HydrophobicContact CB-CE2 3.91Å; L355-F357 HydrophobicContact CB-CE2 3.69Å; L355-F357 HydrophobicContact CB-CZ 3.86Å; L355-F357 HydrophobicContact CD1-CZ 4.39Å; L355-F357 WeakPolarHBondContact O-CE2 3.37Å; F357-V362 HydrophobicContact CD1-CB 4.35Å; F357-V362 HydrophobicContact CD1-CG1 3.89Å; F357-V362 HydrophobicContact CD1-CG2 3.65Å; F357-V362 HydrophobicContact CE1-CB 4.46Å; F357-V362 HydrophobicContact CE1-CG1 3.64Å; F357-V362 HydrophobicContact CE1-CG2 3.95Å; F357-V362 HydrophobicContact CZ-CG1 4.24Å
358S98.3Very high96.1Very high6 Ų621.2 Ų21.24%0.04211%0.11CC..  trans-129.9178173.259.90000110.6F158 V161 D360 Q361F158-S358 VanDerWaalsContact CE2-O 3.22Å; F158-S358 WeakPolarHBondContact CE2-O 3.46Å; V161-S358 WeakPolarHBondContact CG2-O 3.5Å; S358-D360 PolarHBondContact O-N 2.99Å; S358-D360 PolarHBondContact OG-N 3.25Å; S358-Q361 PolarHBondContact N-O 3.45Å; S358-Q361 PolarHBondContact OG-N 3.12Å; S358-Q361 PolarHBondContact OG-O 2.91Å
359K97.6Very high97Very high70 Ų7018.8 Ų18.830%0.3049%0.085SC..SBendtrans-59.1-24.2169.672.5-178-170.5175.60114M162 E165 R399M162-K359 HydrophobicContact SD-CB 4.23Å; E165-K359 HydrophobicContact CG-CB 3.7Å; E165-K359 HydrophobicContact CG-CD 4.27Å; E165-K359 VanDerWaalsContact OE2-CD 3.27Å; E165-K359 WeakPolarHBondContact OE2-CD 3.4Å; K359-R399 VanDerWaalsContact O-CD 3.31Å; K359-R399 WeakPolarHBondContact O-CD 3.27Å; K359-R399 WeakPolarHBondContact O-CG 3.33Å
360D97.3Very high97.5Very high11 Ų1117 Ų176%0.0598%0.078CC..SBendtrans-104.8-36.2-170.9-65.3-39.7000113.2S358 Q400 R407 L411S358-D360 PolarHBondContact O-N 2.99Å; S358-D360 PolarHBondContact OG-N 3.25Å; D360-Q400 VanDerWaalsContact O-CG 3.27Å; D360-Q400 WeakPolarHBondContact O-CG 3.47Å; D360-Q400 PolarHBondContact O-NE2 2.89Å; D360-R407 IonicContact OD2-CZ 3.37Å; D360-R407 IonicContact OD2-NE 3.45Å; D360-R407 PolarHBondContact OD2-NE 3.49Å; D360-R407 IonicContact OD2-NH2 3.76Å; D360-R407 PolarHBondContact OD2-NH2 3.46Å; D360-L411 HydrophobicContact CB-CD1 3.95Å; D360-L411 HydrophobicContact CB-CD2 4.09Å
361Q96.9Very high97.4Very high4 Ų410.8 Ų10.82%0.0195%0.054CC..  trans-157.4156.1-171.857-179.2-37.600113.9S358 V363 N396S358-Q361 PolarHBondContact N-O 3.45Å; S358-Q361 PolarHBondContact OG-N 3.12Å; S358-Q361 PolarHBondContact OG-O 2.91Å; Q361-V363 HydrophobicContact CB-CG2 4.45Å; Q361-V363 HydrophobicContact CG-CG2 3.94Å; Q361-V363 VanDerWaalsContact OE1-CG2 3.25Å; Q361-N396 VanDerWaalsContact CA-OD1 3.26Å; Q361-N396 WeakPolarHBondContact CA-OD1 3.38Å
362V98.5Very high97.3Very high0 Ų014.8 Ų14.80%07%0.071CC..EExtended strand (participates in β ladder)trans-100.7134.2160.9-172.90000109L154 F158 A356 F357 I392 N396L154-V362 HydrophobicContact CD2-CG1 4.08Å; F158-V362 HydrophobicContact CB-CG2 3.92Å; F158-V362 HydrophobicContact CD1-CG2 3.75Å; F158-V362 HydrophobicContact CD2-CG2 3.48Å; F158-V362 VanDerWaalsContact CD2-CG2 3.48Å; F158-V362 HydrophobicContact CE1-CG2 3.98Å; F158-V362 HydrophobicContact CE2-CG2 3.72Å; F158-V362 HydrophobicContact CG-CG2 3.47Å; F158-V362 VanDerWaalsContact CG-CG2 3.47Å; F158-V362 HydrophobicContact CZ-CG2 3.93Å; A356-V362 CarbonylContact O-C 3.49Å; A356-V362 WeakPolarHBondContact O-CA 3.41Å; F357-V362 HydrophobicContact CD1-CB 4.35Å; F357-V362 HydrophobicContact CD1-CG1 3.89Å; F357-V362 HydrophobicContact CD1-CG2 3.65Å; F357-V362 HydrophobicContact CE1-CB 4.46Å; F357-V362 HydrophobicContact CE1-CG1 3.64Å; F357-V362 HydrophobicContact CE1-CG2 3.95Å; F357-V362 HydrophobicContact CZ-CG1 4.24Å; V362-I392 HydrophobicContact CB-CG2 4.41Å; V362-I392 HydrophobicContact CG1-CG1 4.3Å; V362-I392 WeakPolarHBondContact O-CG2 3.29Å; V362-N396 PolarHBondContact N-OD1 3.47Å; V362-N396 PolarHBondContact O-ND2 3.32Å; V362-N396 PolarHBondContact O-OD1 3.18Å
363V98.7Very high97.1Very high7 Ų715.9 Ų15.94%0.0427%0.074CC..EExtended strand (participates in β ladder)trans-135.1134.7178.4-174.70000109.5A356 Q361 V365 L415 F422A356-V363 PolarHBondContact N-O 3.05Å; A356-V363 PolarHBondContact O-N 3.05Å; Q361-V363 HydrophobicContact CB-CG2 4.45Å; Q361-V363 HydrophobicContact CG-CG2 3.94Å; Q361-V363 VanDerWaalsContact OE1-CG2 3.25Å; V363-V365 HydrophobicContact CB-CG1 4.07Å; V363-V365 HydrophobicContact CG1-CG1 3.91Å; V363-V365 PolarHBondContact O-N 2.68Å; V363-L415 HydrophobicContact CG1-CD1 4.15Å; V363-F422 HydrophobicContact CG1-CE2 4.29Å
364D98.6Very high97Very high25 Ų2519.7 Ų19.713%0.13411%0.106CC..EExtended strand (participates in β ladder)trans-75.9105.4166.6-172.5-15.8000109L355 T366 R380 I392 F422L355-D364 HydrophobicContact CD2-CB 3.92Å; D364-T366 WeakPolarHBondContact OD1-CB 3.31Å; D364-T366 PolarHBondContact OD1-N 2.86Å; D364-T366 PolarHBondContact OD1-OG1 3.04Å; D364-R380 IonicContact OD1-NH1 3.98Å; D364-R380 IonicContact OD2-CZ 3.41Å; D364-R380 IonicContact OD2-NH1 3.92Å; D364-R380 PolarHBondContact OD2-NH1 2.81Å; D364-R380 IonicContact OD2-NH2 2.68Å; D364-R380 PolarHBondContact OD2-NH2 2.81Å; D364-I392 HydrophobicContact CB-CD1 4.17Å; D364-F422 WeakPolarHBondContact O-CE2 3.18Å
365V98.6Very high96.9Very high0 Ų024.1 Ų24.10%013%0.126CC..  trans-102.59.7-176.4-62.70000112.1I308 V354 A356 V363 W367 R368 Y369 F422I308-V365 HydrophobicContact CG2-CG2 4.31Å; V354-V365 HydrophobicContact CB-CG2 4.41Å; V354-V365 HydrophobicContact CG1-CG2 3.91Å; V354-V365 WeakPolarHBondContact O-CG2 3.34Å; V354-V365 PolarHBondContact O-N 3.11Å; A356-V365 HydrophobicContact CB-CB 4.44Å; A356-V365 HydrophobicContact CB-CG1 3.64Å; A356-V365 HydrophobicContact CB-CG2 3.89Å; V363-V365 HydrophobicContact CB-CG1 4.07Å; V363-V365 HydrophobicContact CG1-CG1 3.91Å; V363-V365 PolarHBondContact O-N 2.68Å; V365-W367 PolarHBondContact O-N 2.86Å; V365-R368 VanDerWaalsContact O-CB 3.32Å; V365-R368 WeakPolarHBondContact O-CB 3.2Å; V365-R368 PolarHBondContact O-N 2.83Å; V365-Y369 HydrophobicContact CB-CE2 4.2Å; V365-Y369 HydrophobicContact CG2-CD2 4.15Å; V365-Y369 HydrophobicContact CG2-CE2 3.73Å; V365-Y369 VanDerWaalsContact O-CD2 3.31Å; V365-Y369 WeakPolarHBondContact O-CD2 3.32Å; V365-F422 HydrophobicContact CB-CZ 4.35Å; V365-F422 HydrophobicContact CG1-CZ 4.14Å
366T98.6Very high96.9Very high0 Ų024.1 Ų24.10%013%0.126CC..G310 helixtrans-46-43.4-177.3-57.80000112.8A352 V354 D364 R368 Y369 S370 V376 R380A352-T366 WeakPolarHBondContact O-CG2 3.44Å; V354-T366 PolarHBondContact N-OG1 3.44Å; V354-T366 PolarHBondContact O-N 2.99Å; V354-T366 VanDerWaalsContact O-N 3.17Å; V354-T366 PolarHBondContact O-OG1 3.49Å; D364-T366 WeakPolarHBondContact OD1-CB 3.31Å; D364-T366 PolarHBondContact OD1-N 2.86Å; D364-T366 PolarHBondContact OD1-OG1 3.04Å; T366-R368 VanDerWaalsContact C-N 3.27Å; T366-R368 PolarHBondContact O-N 3.2Å; T366-Y369 PolarHBondContact O-N 3.34Å; T366-S370 PolarHBondContact O-N 2.85Å; T366-V376 HydrophobicContact CG2-CG1 3.58Å; T366-R380 PolarHBondContact OG1-NH1 3.43Å
367W97.4Very high96.8Very high53 Ų5328.3 Ų28.320%0.20115%0.149CC..G310 helixtrans-68.1-23.3-174.1-44.9112000113.9V365 Y369 H373 V376 L377 F422V365-W367 PolarHBondContact O-N 2.86Å; W367-Y369 VanDerWaalsContact C-N 3.31Å; W367-H373 HydrophobicContact CE3-CB 4.08Å; W367-H373 AromaticContact CE3-CD2 3.78Å; W367-H373 AromaticContact CE3-CG 3.7Å; W367-H373 AromaticContact CE3-ND1 4Å; W367-H373 HydrophobicContact CZ3-CB 3.98Å; W367-H373 PolarHBondContact O-NE2 3.42Å; W367-V376 HydrophobicContact CZ3-CG1 4.29Å; W367-L377 HydrophobicContact CH2-CD2 3.62Å; W367-L377 HydrophobicContact CH2-CG 3.79Å; W367-L377 HydrophobicContact CZ2-CD2 4.43Å; W367-L377 HydrophobicContact CZ3-CD2 4.48Å; W367-L377 HydrophobicContact CZ3-CG 4.18Å; W367-F422 HydrophobicContact CB-CB 3.57Å; W367-F422 HydrophobicContact CB-CD1 4Å; W367-F422 HydrophobicContact CB-CG 3.81Å; W367-F422 AromaticContact CD1-CD2 3.92Å; W367-F422 AromaticContact CD1-CG 3.95Å; W367-F422 HydrophobicContact CG-CB 3.99Å; W367-F422 HydrophobicContact CG-CG 4.28Å
368R96.3Very high96.7Very high8 Ų832.4 Ų32.43%0.0318%0.177CC..G310 helixtrans-66.9-35.5172-179.1172.6-69.2120.95.5112E318 P340 V365 T366 E418 E421 F422E318-R368 WeakPolarHBondContact OE1-CD 3.38Å; E318-R368 IonicContact OE1-CZ 2.68Å; E318-R368 IonicContact OE1-NE 3.23Å; E318-R368 IonicContact OE1-NH1 3.83Å; E318-R368 PolarHBondContact OE1-NH1 2.76Å; E318-R368 IonicContact OE2-NH1 3.38Å; E318-R368 PolarHBondContact OE2-NH1 2.97Å; P340-R368 HydrophobicContact CB-CG 3.92Å; P340-R368 WeakPolarHBondContact CB-O 3.31Å; P340-R368 HydrophobicContact CG-CG 4.29Å; V365-R368 VanDerWaalsContact O-CB 3.32Å; V365-R368 WeakPolarHBondContact O-CB 3.2Å; V365-R368 PolarHBondContact O-N 2.83Å; T366-R368 VanDerWaalsContact C-N 3.27Å; T366-R368 PolarHBondContact O-N 3.2Å; R368-E418 IonicContact CZ-OE1 3.67Å; R368-E418 IonicContact NH1-OE1 2.72Å; R368-E418 PolarHBondContact NH1-OE1 3.46Å; R368-E418 IonicContact NH2-OE1 3.91Å; R368-E418 PolarHBondContact NH2-OE1 3.27Å; R368-E421 IonicContact CZ-OE2 3.43Å; R368-E421 IonicContact NE-OE1 3.54Å; R368-E421 IonicContact NE-OE2 3.43Å; R368-E421 PolarHBondContact NE-OE2 3.22Å; R368-E421 IonicContact NH2-OE2 3.56Å; R368-E421 PolarHBondContact NH2-OE2 2.74Å; R368-F422 HydrophobicContact CB-CD1 4.41Å; R368-F422 HydrophobicContact CB-CE1 3.98Å; R368-F422 VanDerWaalsContact NH2-CE1 3.32Å
369Y95.9Very high96.7Very high0 Ų035 Ų350%019%0.186CC..SBendtrans-93.60.5-172.5-65.1-76.8000113.5W316 E318 H329 P340 Y343 L351 V354 V365 T366 W367W316-Y369 AromaticContact CE2-CE1 3.66Å; W316-Y369 AromaticContact CE2-CZ 3.64Å; W316-Y369 HydrophobicContact CH2-CD1 4.38Å; W316-Y369 AromaticContact CZ2-CD1 3.58Å; W316-Y369 HydrophobicContact CZ2-CD1 3.58Å; W316-Y369 AromaticContact CZ2-CD2 3.9Å; W316-Y369 HydrophobicContact CZ2-CD2 3.9Å; W316-Y369 AromaticContact CZ2-CE1 3.48Å; W316-Y369 HydrophobicContact CZ2-CE1 3.48Å; W316-Y369 VanDerWaalsContact CZ2-CE1 3.48Å; W316-Y369 AromaticContact CZ2-CE2 3.76Å; W316-Y369 HydrophobicContact CZ2-CE2 3.76Å; W316-Y369 AromaticContact CZ2-CG 3.82Å; W316-Y369 HydrophobicContact CZ2-CG 3.82Å; W316-Y369 AromaticContact CZ2-CZ 3.56Å; W316-Y369 AromaticContact NE1-CE1 3.46Å; W316-Y369 AromaticContact NE1-CE2 3.96Å; W316-Y369 AromaticContact NE1-CZ 3.15Å; W316-Y369 PolarHBondContact NE1-OH 2.57Å; E318-Y369 WeakPolarHBondContact CG-OH 3.34Å; E318-Y369 PolarHBondContact OE1-OH 3.4Å; E318-Y369 VanDerWaalsContact OE1-OH 3.09Å; H329-Y369 HydrophobicContact CB-CE1 4.16Å; H329-Y369 AromaticContact CD2-CE1 3.47Å; H329-Y369 VanDerWaalsContact CD2-CE1 3.47Å; H329-Y369 WeakPolarHBondContact CD2-CE1 3.5Å; P340-Y369 HydrophobicContact CB-CD1 3.69Å; P340-Y369 HydrophobicContact CB-CE1 3.7Å; P340-Y369 HydrophobicContact CB-CG 4.45Å; P340-Y369 VanDerWaalsContact O-CD1 3.22Å; P340-Y369 WeakPolarHBondContact O-CD1 3.23Å; Y343-Y369 AromaticContact CD2-CD1 3.83Å; Y343-Y369 HydrophobicContact CD2-CD1 3.83Å; Y343-Y369 HydrophobicContact CD2-CE1 4.42Å; Y343-Y369 AromaticContact CE2-CD1 3.79Å; Y343-Y369 HydrophobicContact CE2-CD1 3.79Å; Y343-Y369 AromaticContact CE2-CE1 3.92Å; Y343-Y369 HydrophobicContact CE2-CE1 3.92Å; L351-Y369 VanDerWaalsContact CD1-O 3.24Å; L351-Y369 WeakPolarHBondContact CD1-O 3.12Å; V354-Y369 HydrophobicContact CB-CD2 4.29Å; V354-Y369 HydrophobicContact CG1-CD2 3.74Å; V354-Y369 HydrophobicContact CG1-CE2 4.06Å; V354-Y369 HydrophobicContact CG1-CG 4.42Å; V365-Y369 HydrophobicContact CB-CE2 4.2Å; V365-Y369 HydrophobicContact CG2-CD2 4.15Å; V365-Y369 HydrophobicContact CG2-CE2 3.73Å; V365-Y369 VanDerWaalsContact O-CD2 3.31Å; V365-Y369 WeakPolarHBondContact O-CD2 3.32Å; T366-Y369 PolarHBondContact O-N 3.34Å; W367-Y369 VanDerWaalsContact C-N 3.31Å
370S94.8Very high96.6Very high2 Ų232.2 Ų32.21%0.01417%0.174CC..  trans-131.9141.4179.5-179.20000111.7E344 T366 K372 H373 V376E344-S370 VanDerWaalsContact CD-OG 3.23Å; E344-S370 WeakPolarHBondContact OE1-CA 3.42Å; E344-S370 PolarHBondContact OE1-OG 3.48Å; E344-S370 VanDerWaalsContact OE2-CB 3.31Å; E344-S370 WeakPolarHBondContact OE2-CB 3.33Å; E344-S370 PolarHBondContact OE2-OG 3.37Å; T366-S370 PolarHBondContact O-N 2.85Å; S370-K372 PolarHBondContact OG-N 3.43Å; S370-H373 PolarHBondContact O-CD2 3.12Å; S370-H373 VanDerWaalsContact O-CD2 3.24Å; S370-H373 PolarHBondContact O-NE2 3.01Å; S370-V376 WeakPolarHBondContact OG-CG2 3.43Å
371C91.6Very high96.5Very high27 Ų2736.7 Ų36.718%0.18220%0.201CC..SBendtrans-107.2-5163.560.20000112.1L341 E344 K426L341-C371 HydrophobicContact CD1-CB 3.93Å; L341-C371 HydrophobicContact CD2-CB 4.39Å; E344-C371 PolarHBondContact OE1-N 3.1Å; E344-C371 PolarHBondContact OE1-SG 3.45Å; E344-C371 VanDerWaalsContact OE1-SG 3.36Å; C371-K426 WeakPolarHBondContact CB-O 3.42Å
372K92.8Very high96.3Very high85 Ų8540.3 Ų40.337%0.3722%0.215SC..  trans-108.454.1-179.5-62.3172.5175.2-175.30110.8E344 S370 A374 E375 V376E344-K372 HydrophobicContact CG-CD 4.36Å; E344-K372 PolarHBondContact OE1-N 2.81Å; S370-K372 PolarHBondContact OG-N 3.43Å; K372-A374 VanDerWaalsContact C-N 3.29Å; K372-A374 PolarHBondContact O-N 3.48Å; K372-E375 HydrophobicContact CB-CB 4.23Å; K372-E375 HydrophobicContact CB-CG 4.16Å; K372-E375 WeakPolarHBondContact CD-OE1 3.16Å; K372-E375 WeakPolarHBondContact O-CB 3.46Å; K372-E375 PolarHBondContact O-N 3.04Å; K372-V376 PolarHBondContact O-N 3.49Å
373H94.9Very high96.1Very high34 Ų3440.6 Ų40.616%0.15722%0.217CC..Hα-helixtrans-55.2-40.2-171.2-66.1177.4000113.6W367 S370 E375 V376 L377 F422W367-H373 HydrophobicContact CE3-CB 4.08Å; W367-H373 AromaticContact CE3-CD2 3.78Å; W367-H373 AromaticContact CE3-CG 3.7Å; W367-H373 AromaticContact CE3-ND1 4Å; W367-H373 HydrophobicContact CZ3-CB 3.98Å; W367-H373 PolarHBondContact O-NE2 3.42Å; S370-H373 PolarHBondContact O-CD2 3.12Å; S370-H373 VanDerWaalsContact O-CD2 3.24Å; S370-H373 PolarHBondContact O-NE2 3.01Å; H373-E375 VanDerWaalsContact C-N 3.32Å; H373-E375 PolarHBondContact O-N 3.48Å; H373-V376 PolarHBondContact O-N 2.91Å; H373-L377 WeakPolarHBondContact O-CB 3.48Å; H373-L377 WeakPolarHBondContact O-CG 3.4Å; H373-L377 PolarHBondContact O-N 2.8Å; H373-F422 PolarHBondContact CE1-O 3.32Å
374A95.5Very high95.7Very high80 Ų8045.5 Ų45.566%0.66124%0.239SC*.Hα-helixtrans-61.8-39.417700000112.4K372 S378K372-A374 VanDerWaalsContact C-N 3.29Å; K372-A374 PolarHBondContact O-N 3.48Å; A374-S378 PolarHBondContact O-N 3.26Å
375E96.6Very high95.5Very high93 Ų9347.7 Ų47.744%0.43525%0.249SC..Hα-helixtrans-70.7-39.5176.6-56.9-177.5-152.600111.5K372 H373 S378 R379K372-E375 HydrophobicContact CB-CB 4.23Å; K372-E375 HydrophobicContact CB-CG 4.16Å; K372-E375 WeakPolarHBondContact CD-OE1 3.16Å; K372-E375 WeakPolarHBondContact O-CB 3.46Å; K372-E375 PolarHBondContact O-N 3.04Å; H373-E375 VanDerWaalsContact C-N 3.32Å; H373-E375 PolarHBondContact O-N 3.48Å; E375-S378 PolarHBondContact O-N 3.34Å; E375-S378 PolarHBondContact O-OG 2.98Å; E375-R379 VanDerWaalsContact O-CZ 3.25Å; E375-R379 PolarHBondContact O-N 2.92Å; E375-R379 PolarHBondContact O-NH1 3.38Å; E375-R379 IonicContact OE2-NH1 2.96Å
376V97.5Very high95.2Very high0 Ų051.2 Ų51.20%028%0.277CS..Hα-helixtrans-60.2-47.4174.2169.20000110.9L351 T366 W367 S370 K372 H373 S378 R379 R380L351-V376 HydrophobicContact CB-CG2 4.42Å; T366-V376 HydrophobicContact CG2-CG1 3.58Å; W367-V376 HydrophobicContact CZ3-CG1 4.29Å; S370-V376 WeakPolarHBondContact OG-CG2 3.43Å; K372-V376 PolarHBondContact O-N 3.49Å; H373-V376 PolarHBondContact O-N 2.91Å; V376-S378 VanDerWaalsContact C-N 3.26Å; V376-S378 PolarHBondContact O-N 3.32Å; V376-R379 WeakPolarHBondContact O-CA 3.36Å; V376-R379 WeakPolarHBondContact O-CB 3.37Å; V376-R379 PolarHBondContact O-N 3.49Å; V376-R380 HydrophobicContact CG1-CG 4.22Å; V376-R380 WeakPolarHBondContact O-CG 3.27Å; V376-R380 PolarHBondContact O-N 2.75Å; V376-R380 VanDerWaalsContact O-N 3.15Å
377L96.7Very high95Very high89 Ų8954.1 Ų54.147%0.46629%0.289SS..Hα-helixtrans-54.8-41.6176.4-79.4168.7000112W367 H373 R379 R380W367-L377 HydrophobicContact CH2-CD2 3.62Å; W367-L377 HydrophobicContact CH2-CG 3.79Å; W367-L377 HydrophobicContact CZ2-CD2 4.43Å; W367-L377 HydrophobicContact CZ3-CD2 4.48Å; W367-L377 HydrophobicContact CZ3-CG 4.18Å; H373-L377 WeakPolarHBondContact O-CB 3.48Å; H373-L377 WeakPolarHBondContact O-CG 3.4Å; H373-L377 PolarHBondContact O-N 2.8Å; L377-R379 PolarHBondContact O-N 3.29Å; L377-R379 VanDerWaalsContact O-N 3.16Å; L377-R380 PolarHBondContact O-N 3.05Å; L377-R380 VanDerWaalsContact O-N 3.11Å
378S97.6Very high94.9Very high87 Ų8751.8 Ų51.861%0.60828%0.28SS*.Hα-helixtrans-61.5-23.7176.775.90000114.1A374 E375 V376A374-S378 PolarHBondContact O-N 3.26Å; E375-S378 PolarHBondContact O-N 3.34Å; E375-S378 PolarHBondContact O-OG 2.98Å; V376-S378 VanDerWaalsContact C-N 3.26Å; V376-S378 PolarHBondContact O-N 3.32Å
379R97.6Very high94.8Very high59 Ų5956.5 Ų56.522%0.22331%0.305CS..Hα-helixtrans-95.3-11.1178.5-65.2-178.1-69.1-96.35.2113.4L351 A352 E375 V376 L377 T381L351-R379 PolarHBondContact O-NE 3.45Å; L351-R379 PolarHBondContact O-NH2 2.92Å; A352-R379 HydrophobicContact CB-CB 4.16Å; E375-R379 VanDerWaalsContact O-CZ 3.25Å; E375-R379 PolarHBondContact O-N 2.92Å; E375-R379 PolarHBondContact O-NH1 3.38Å; E375-R379 IonicContact OE2-NH1 2.96Å; V376-R379 WeakPolarHBondContact O-CA 3.36Å; V376-R379 WeakPolarHBondContact O-CB 3.37Å; V376-R379 PolarHBondContact O-N 3.49Å; L377-R379 PolarHBondContact O-N 3.29Å; L377-R379 VanDerWaalsContact O-N 3.16Å; R379-T381 VanDerWaalsContact C-N 3.28Å; R379-T381 PolarHBondContact O-N 2.76Å
380R96.9Very high94.7Very high13 Ų1363.3 Ų63.35%0.04934%0.337CS..  trans-82.872.2179.8-71.6173.467.3100.8-6.4111A352 Y353 D364 T366 V376 L377 E385 L388A352-R380 HydrophobicContact CB-CG 4.47Å; A352-R380 VanDerWaalsContact O-CD 3.29Å; A352-R380 WeakPolarHBondContact O-CD 3.42Å; A352-R380 WeakPolarHBondContact O-CG 3.31Å; A352-R380 PolarHBondContact O-NH1 3.5Å; Y353-R380 HydrophobicContact CD1-CG 4.39Å; Y353-R380 HydrophobicContact CE1-CB 4.11Å; Y353-R380 HydrophobicContact CE1-CG 4.05Å; Y353-R380 HydrophobicContact CE2-CB 4.39Å; Y353-R380 HydrophobicContact CE2-CG 4.32Å; Y353-R380 WeakPolarHBondContact OH-CA 3.44Å; Y353-R380 PolarHBondContact OH-O 3.45Å; D364-R380 IonicContact OD1-NH1 3.98Å; D364-R380 IonicContact OD2-CZ 3.41Å; D364-R380 IonicContact OD2-NH1 3.92Å; D364-R380 PolarHBondContact OD2-NH1 2.81Å; D364-R380 IonicContact OD2-NH2 2.68Å; D364-R380 PolarHBondContact OD2-NH2 2.81Å; T366-R380 PolarHBondContact OG1-NH1 3.43Å; V376-R380 HydrophobicContact CG1-CG 4.22Å; V376-R380 WeakPolarHBondContact O-CG 3.27Å; V376-R380 PolarHBondContact O-N 2.75Å; V376-R380 VanDerWaalsContact O-N 3.15Å; L377-R380 PolarHBondContact O-N 3.05Å; L377-R380 VanDerWaalsContact O-N 3.11Å; R380-E385 WeakPolarHBondContact CB-OE1 3.39Å; R380-E385 IonicContact CZ-OE1 2.82Å; R380-E385 IonicContact CZ-OE2 2.71Å; R380-E385 IonicContact NE-OE1 3.46Å; R380-E385 PolarHBondContact NE-OE1 2.84Å; R380-E385 IonicContact NE-OE2 3.61Å; R380-E385 IonicContact NH2-OE1 3.65Å; R380-E385 PolarHBondContact NH2-OE1 2.9Å; R380-E385 IonicContact NH2-OE2 3.72Å; R380-E385 PolarHBondContact NH2-OE2 3.44Å; R380-L388 VanDerWaalsContact NH2-CD2 3.3Å
381T94.8Very high94.8Very high104 Ų10464 Ų6464%0.63834%0.341SS*.  trans-110.4-11.5-17457.50000114.3Y353 R379Y353-T381 PolarHBondContact OH-N 3.39Å; R379-T381 VanDerWaalsContact C-N 3.28Å; R379-T381 PolarHBondContact O-N 2.76Å
382R92.3Very high95.1Very high81 Ų8163.2 Ų63.231%0.30634%0.335SS..SBendtrans-61.5-41.2179-65.7-172.768-179.2-1.8114S146 F150 Y353S146-R382 WeakPolarHBondContact CB-O 3.47Å; S146-R382 PolarHBondContact OG-O 3.45Å; F150-R382 HydrophobicContact CD2-CB 4.33Å; Y353-R382 HydrophobicContact CE2-CB 3.82Å; Y353-R382 HydrophobicContact CE2-CG 3.94Å; Y353-R382 PolarHBondContact OH-N 3.48Å
383V93.8Very high95.2Very high6 Ų663.1 Ų63.14%0.03634%0.338CS..SBendtrans-142.1159.4-179.2-64.30000110.5F150 Y353 W387 L388F150-V383 HydrophobicContact CB-CG1 3.63Å; F150-V383 HydrophobicContact CD1-CG1 4.42Å; F150-V383 HydrophobicContact CD1-CG2 4.39Å; F150-V383 HydrophobicContact CD2-CG1 4.06Å; F150-V383 HydrophobicContact CD2-CG2 4.35Å; F150-V383 HydrophobicContact CE1-CG2 4.46Å; F150-V383 HydrophobicContact CE2-CG2 4.4Å; F150-V383 HydrophobicContact CG-CG1 3.79Å; F150-V383 HydrophobicContact CG-CG2 4.33Å; F150-V383 HydrophobicContact CZ-CG2 4.44Å; Y353-V383 HydrophobicContact CE1-CG2 4.04Å; Y353-V383 PolarHBondContact OH-N 2.97Å; V383-W387 HydrophobicContact CB-CE3 3.78Å; V383-W387 HydrophobicContact CB-CZ3 4.06Å; V383-W387 HydrophobicContact CG1-CE3 3.98Å; V383-W387 HydrophobicContact CG1-CZ3 3.8Å; V383-W387 HydrophobicContact CG2-CE3 4.09Å; V383-W387 HydrophobicContact CG2-CZ3 4.21Å; V383-L388 HydrophobicContact CG2-CB 4.17Å
384Q91.8Very high95.3Very high109 Ų10963.5 Ų63.551%0.50935%0.351SS..  trans-72.3138.7172.8-61-178.417.600110.7A386 W387 L388Q384-A386 VanDerWaalsContact C-N 3.31Å; Q384-A386 PolarHBondContact O-N 3.33Å; Q384-W387 HydrophobicContact CB-CB 4.16Å; Q384-W387 WeakPolarHBondContact O-CB 3.11Å; Q384-W387 PolarHBondContact O-N 3.25Å; Q384-W387 VanDerWaalsContact O-N 3.11Å; Q384-L388 PolarHBondContact O-N 2.71Å
385E94.3Very high95.4Very high72 Ų7260.9 Ų60.934%0.33633%0.326SS..Hα-helixtrans-58.3-41.5179.7-63.3-60.2155.400112.7R380 W387 L388 L389R380-E385 WeakPolarHBondContact CB-OE1 3.39Å; R380-E385 IonicContact CZ-OE1 2.82Å; R380-E385 IonicContact CZ-OE2 2.71Å; R380-E385 IonicContact NE-OE1 3.46Å; R380-E385 PolarHBondContact NE-OE1 2.84Å; R380-E385 IonicContact NE-OE2 3.61Å; R380-E385 IonicContact NH2-OE1 3.65Å; R380-E385 PolarHBondContact NH2-OE1 2.9Å; R380-E385 IonicContact NH2-OE2 3.72Å; R380-E385 PolarHBondContact NH2-OE2 3.44Å; E385-W387 VanDerWaalsContact C-N 3.32Å; E385-W387 PolarHBondContact O-N 2.72Å; E385-L388 PolarHBondContact O-N 3.01Å; E385-L389 WeakPolarHBondContact O-CB 3.43Å; E385-L389 PolarHBondContact O-N 2.88Å
386A91.2Very high95.4Very high73 Ų7357.2 Ų57.260%0.60331%0.309SS*.Hα-helixtrans-63.2-39.1177.900000112Q384 H390Q384-A386 VanDerWaalsContact C-N 3.31Å; Q384-A386 PolarHBondContact O-N 3.33Å; A386-H390 WeakPolarHBondContact O-CB 3.4Å; A386-H390 PolarHBondContact O-N 2.9Å
387W94.9Very high95.3Very high62 Ų6260.3 Ų60.324%0.23534%0.335CS..Hα-helixtrans-65.9-45.9175.1177.690.8000110.9S147 F150 F151 V383 Q384 E385 L389 H390 T391S147-W387 WeakPolarHBondContact O-CH2 3.39Å; S147-W387 WeakPolarHBondContact O-CZ2 3.39Å; F150-W387 HydrophobicContact CB-CH2 4.38Å; F150-W387 HydrophobicContact CB-CZ3 4.34Å; F150-W387 HydrophobicContact CD1-CZ3 4.04Å; F150-W387 HydrophobicContact CG-CZ3 4.49Å; F151-W387 HydrophobicContact CB-CH2 3.92Å; F151-W387 HydrophobicContact CB-CZ2 4.05Å; V383-W387 HydrophobicContact CB-CE3 3.78Å; V383-W387 HydrophobicContact CB-CZ3 4.06Å; V383-W387 HydrophobicContact CG1-CE3 3.98Å; V383-W387 HydrophobicContact CG1-CZ3 3.8Å; V383-W387 HydrophobicContact CG2-CE3 4.09Å; V383-W387 HydrophobicContact CG2-CZ3 4.21Å; Q384-W387 HydrophobicContact CB-CB 4.16Å; Q384-W387 WeakPolarHBondContact O-CB 3.11Å; Q384-W387 PolarHBondContact O-N 3.25Å; Q384-W387 VanDerWaalsContact O-N 3.11Å; E385-W387 VanDerWaalsContact C-N 3.32Å; E385-W387 PolarHBondContact O-N 2.72Å; W387-L389 PolarHBondContact O-N 3.4Å; W387-H390 PolarHBondContact O-N 3.06Å; W387-T391 HydrophobicContact CH2-CG2 4.21Å; W387-T391 HydrophobicContact CZ2-CG2 4.38Å; W387-T391 WeakPolarHBondContact CZ2-OG1 3.46Å; W387-T391 WeakPolarHBondContact O-CB 3.5Å; W387-T391 PolarHBondContact O-N 3.31Å; W387-T391 PolarHBondContact O-OG1 3.04Å
388L95.6Very high95.3Very high3 Ų359.4 Ų59.42%0.01634%0.341CS..Hα-helixtrans-59.2-47.3179.4178.859.1000111.4F150 L154 Y353 R380 V383 Q384 E385 T391 I392F150-L388 HydrophobicContact CD1-CD1 4.17Å; F150-L388 HydrophobicContact CE1-CD1 3.49Å; F150-L388 VanDerWaalsContact CE1-CD1 3.49Å; F150-L388 HydrophobicContact CZ-CD1 4.28Å; L154-L388 HydrophobicContact CD1-CD1 4.09Å; Y353-L388 HydrophobicContact CD1-CD2 4.19Å; Y353-L388 HydrophobicContact CE1-CD2 4.28Å; R380-L388 VanDerWaalsContact NH2-CD2 3.3Å; V383-L388 HydrophobicContact CG2-CB 4.17Å; Q384-L388 PolarHBondContact O-N 2.71Å; E385-L388 PolarHBondContact O-N 3.01Å; L388-T391 PolarHBondContact O-N 2.71Å; L388-I392 HydrophobicContact CD1-CD1 3.77Å; L388-I392 HydrophobicContact CD1-CG1 4.15Å; L388-I392 HydrophobicContact CG-CD1 3.93Å; L388-I392 WeakPolarHBondContact O-CB 3.49Å; L388-I392 WeakPolarHBondContact O-CG1 3.22Å; L388-I392 PolarHBondContact O-N 2.99Å
389L94.4Very high95.2Very high108 Ų10858.1 Ų58.157%0.56532%0.323SS*.Hα-helixtrans-59.7-48.2177.3179.764.3000111.6E385 W387 T391 I392 N393E385-L389 WeakPolarHBondContact O-CB 3.43Å; E385-L389 PolarHBondContact O-N 2.88Å; W387-L389 PolarHBondContact O-N 3.4Å; L389-T391 PolarHBondContact O-N 2.93Å; L389-I392 PolarHBondContact O-N 2.97Å; L389-N393 WeakPolarHBondContact O-CB 3.38Å; L389-N393 PolarHBondContact O-N 2.81Å; L389-N393 PolarHBondContact O-ND2 3.05Å
390H93.9Very high95.2Very high142 Ų14256.8 Ų56.866%0.65732%0.319SS*.Hα-helixtrans-61.8-45179.3-176.475.6000111.9A386 W387 N393 G394A386-H390 WeakPolarHBondContact O-CB 3.4Å; A386-H390 PolarHBondContact O-N 2.9Å; W387-H390 PolarHBondContact O-N 3.06Å; H390-N393 PolarHBondContact O-N 3.5Å; H390-G394 PolarHBondContact O-N 3.33Å
391T95.9Very high95.1Very high16 Ų1663.9 Ų63.910%0.09835%0.352CS..Hα-helixtrans-61.3-47.8177.9-66.10000111.8F151 L154 W387 L388 L389 N393 G394 L395F151-T391 HydrophobicContact CD2-CG2 3.59Å; F151-T391 HydrophobicContact CE2-CG2 3.97Å; L154-T391 HydrophobicContact CD1-CG2 3.68Å; W387-T391 HydrophobicContact CH2-CG2 4.21Å; W387-T391 HydrophobicContact CZ2-CG2 4.38Å; W387-T391 WeakPolarHBondContact CZ2-OG1 3.46Å; W387-T391 WeakPolarHBondContact O-CB 3.5Å; W387-T391 PolarHBondContact O-N 3.31Å; W387-T391 PolarHBondContact O-OG1 3.04Å; L388-T391 PolarHBondContact O-N 2.71Å; L389-T391 PolarHBondContact O-N 2.93Å; T391-N393 VanDerWaalsContact C-N 3.33Å; T391-N393 PolarHBondContact O-N 3.07Å; T391-G394 PolarHBondContact O-N 3.21Å; T391-L395 HydrophobicContact CG2-CD1 4.2Å; T391-L395 WeakPolarHBondContact O-CG 3.4Å; T391-L395 PolarHBondContact O-N 3.39Å
392I98Very high95Very high11 Ų1164.2 Ų64.26%0.05636%0.359CS..Hα-helixtrans-60.2-44.5176.9-73172.8000110.6V362 D364 L388 L389 G394 L395 N396V362-I392 HydrophobicContact CB-CG2 4.41Å; V362-I392 HydrophobicContact CG1-CG1 4.3Å; V362-I392 WeakPolarHBondContact O-CG2 3.29Å; D364-I392 HydrophobicContact CB-CD1 4.17Å; L388-I392 HydrophobicContact CD1-CD1 3.77Å; L388-I392 HydrophobicContact CD1-CG1 4.15Å; L388-I392 HydrophobicContact CG-CD1 3.93Å; L388-I392 WeakPolarHBondContact O-CB 3.49Å; L388-I392 WeakPolarHBondContact O-CG1 3.22Å; L388-I392 PolarHBondContact O-N 2.99Å; L389-I392 PolarHBondContact O-N 2.97Å; I392-G394 VanDerWaalsContact C-N 3.34Å; I392-G394 PolarHBondContact O-N 3.41Å; I392-L395 PolarHBondContact O-N 3.12Å; I392-N396 WeakPolarHBondContact O-CB 3.46Å; I392-N396 VanDerWaalsContact O-CG 3.26Å; I392-N396 PolarHBondContact O-N 3.43Å; I392-N396 PolarHBondContact O-ND2 2.91Å
393N95.4Very high95.2Very high84 Ų8462.2 Ų62.245%0.44935%0.354SS..Hα-helixtrans-61.9-41.3178-72.8-17.8000112.1L389 H390 T391 N396 A397L389-N393 WeakPolarHBondContact O-CB 3.38Å; L389-N393 PolarHBondContact O-N 2.81Å; L389-N393 PolarHBondContact O-ND2 3.05Å; H390-N393 PolarHBondContact O-N 3.5Å; T391-N393 VanDerWaalsContact C-N 3.33Å; T391-N393 PolarHBondContact O-N 3.07Å; N393-N396 PolarHBondContact O-N 3.29Å; N393-A397 WeakPolarHBondContact O-CB 3.49Å; N393-A397 PolarHBondContact O-N 3.19Å
394G96.7Very high95.3Very high42 Ų4265 Ų6543%0.43337%0.374SS..Hα-helixtrans-62.5-47175.300000112.6H390 T391 I392 N396 A397 A398H390-G394 PolarHBondContact O-N 3.33Å; T391-G394 PolarHBondContact O-N 3.21Å; I392-G394 VanDerWaalsContact C-N 3.34Å; I392-G394 PolarHBondContact O-N 3.41Å; G394-N396 VanDerWaalsContact C-N 3.34Å; G394-N396 PolarHBondContact O-N 3.48Å; G394-A397 PolarHBondContact O-N 3.37Å; G394-A398 PolarHBondContact O-N 2.93Å
395L96.9Very high95.6Very high25 Ų2564.3 Ų64.313%0.13138%0.379CS..Hα-helixtrans-60.2-44.1176.2-71172.8000111.6F151 L154 F158 T391 I392 A398 R399F151-L395 HydrophobicContact CE2-CD2 4.36Å; L154-L395 HydrophobicContact CB-CD1 3.94Å; L154-L395 HydrophobicContact CD1-CD1 4.42Å; F158-L395 HydrophobicContact CD1-CB 4.25Å; F158-L395 HydrophobicContact CE1-CB 4.07Å; T391-L395 HydrophobicContact CG2-CD1 4.2Å; T391-L395 WeakPolarHBondContact O-CG 3.4Å; T391-L395 PolarHBondContact O-N 3.39Å; I392-L395 PolarHBondContact O-N 3.12Å; L395-A398 PolarHBondContact O-N 2.87Å; L395-R399 PolarHBondContact O-N 3.24Å
396N97.7Very high95.8Very high15 Ų1565.6 Ų65.68%0.0839%0.388CS..Hα-helixtrans-65.3-44.3177.6-72.9-16.8000111.9Q361 V362 I392 N393 G394 A398 R399 Q400Q361-N396 VanDerWaalsContact CA-OD1 3.26Å; Q361-N396 WeakPolarHBondContact CA-OD1 3.38Å; V362-N396 PolarHBondContact N-OD1 3.47Å; V362-N396 PolarHBondContact O-ND2 3.32Å; V362-N396 PolarHBondContact O-OD1 3.18Å; I392-N396 WeakPolarHBondContact O-CB 3.46Å; I392-N396 VanDerWaalsContact O-CG 3.26Å; I392-N396 PolarHBondContact O-N 3.43Å; I392-N396 PolarHBondContact O-ND2 2.91Å; N393-N396 PolarHBondContact O-N 3.29Å; G394-N396 VanDerWaalsContact C-N 3.34Å; G394-N396 PolarHBondContact O-N 3.48Å; N396-A398 VanDerWaalsContact C-N 3.3Å; N396-A398 PolarHBondContact O-N 2.74Å; N396-R399 PolarHBondContact O-N 3.21Å; N396-Q400 VanDerWaalsContact O-CB 3.25Å; N396-Q400 WeakPolarHBondContact O-CB 3.35Å; N396-Q400 WeakPolarHBondContact O-CG 3.26Å; N396-Q400 PolarHBondContact O-N 3.33Å
397A95.9Very high96Very high66 Ų6664 Ų6455%0.54537%0.366SS..Hα-helixtrans-59.1-42.9177.500000111.8N393 G394 Q401N393-A397 WeakPolarHBondContact O-CB 3.49Å; N393-A397 PolarHBondContact O-N 3.19Å; G394-A397 PolarHBondContact O-N 3.37Å; A397-Q401 PolarHBondContact O-N 2.96Å
398A95.7Very high96.1Very high70 Ų7064.4 Ų64.458%0.57937%0.37SS*.Hα-helixtrans-63.6-49.6175.800000111.9G394 L395 N396 Q400 Q401G394-A398 PolarHBondContact O-N 2.93Å; L395-A398 PolarHBondContact O-N 2.87Å; N396-A398 VanDerWaalsContact C-N 3.3Å; N396-A398 PolarHBondContact O-N 2.74Å; A398-Q400 VanDerWaalsContact C-N 3.34Å; A398-Q400 PolarHBondContact O-N 3.41Å; A398-Q401 WeakPolarHBondContact O-CB 3.22Å; A398-Q401 PolarHBondContact O-N 3.36Å
399R95.4Very high96.2Very high60 Ų6071 Ų7123%0.22639%0.394CS..Hα-helixtrans-61.6-42.1179.6-176.769.765.9171.63112.6F158 M162 K359 L395 N396 Q401F158-R399 HydrophobicContact CE1-CB 3.71Å; F158-R399 HydrophobicContact CE1-CG 4.17Å; F158-R399 HydrophobicContact CE2-CB 4.5Å; F158-R399 HydrophobicContact CE2-CG 4.13Å; F158-R399 HydrophobicContact CZ-CB 3.41Å; F158-R399 VanDerWaalsContact CZ-CB 3.41Å; F158-R399 HydrophobicContact CZ-CG 3.47Å; F158-R399 VanDerWaalsContact CZ-CG 3.47Å; F158-R399 PolarHBondContact O-NH2 3.27Å; M162-R399 PolarHBondContact SD-NH1 2.99Å; K359-R399 VanDerWaalsContact O-CD 3.31Å; K359-R399 WeakPolarHBondContact O-CD 3.27Å; K359-R399 WeakPolarHBondContact O-CG 3.33Å; L395-R399 PolarHBondContact O-N 3.24Å; N396-R399 PolarHBondContact O-N 3.21Å; R399-Q401 VanDerWaalsContact C-N 3.27Å; R399-Q401 PolarHBondContact O-N 2.89Å
400Q96.9Very high96.4Very high31 Ų3169.1 Ų69.115%0.14538%0.383CS..Hα-helixtrans-82.8-4.2-172.6-63.1177.715.800112.5D360 N396 A398 S402 L403 K408D360-Q400 VanDerWaalsContact O-CG 3.27Å; D360-Q400 WeakPolarHBondContact O-CG 3.47Å; D360-Q400 PolarHBondContact O-NE2 2.89Å; N396-Q400 VanDerWaalsContact O-CB 3.25Å; N396-Q400 WeakPolarHBondContact O-CB 3.35Å; N396-Q400 WeakPolarHBondContact O-CG 3.26Å; N396-Q400 PolarHBondContact O-N 3.33Å; A398-Q400 VanDerWaalsContact C-N 3.34Å; A398-Q400 PolarHBondContact O-N 3.41Å; Q400-S402 PolarHBondContact O-N 3.1Å; Q400-S402 VanDerWaalsContact O-N 3.15Å; Q400-L403 HydrophobicContact CB-CD1 3.94Å; Q400-L403 HydrophobicContact CB-CG 4.4Å; Q400-L403 HydrophobicContact CG-CD1 3.77Å; Q400-L403 WeakPolarHBondContact O-CB 3.21Å; Q400-L403 PolarHBondContact O-N 3.25Å; Q400-K408 WeakPolarHBondContact O-CE 3.2Å; Q400-K408 PolarHBondContact O-NZ 2.91Å
401Q95.4Very high96.5Very high161 Ų16162.5 Ų62.575%0.75235%0.353SS*.THydrogen-bonded Turntrans-50.7-44.9-176.6-170.3179.933.300112.3A397 A398 R399 K408A397-Q401 PolarHBondContact O-N 2.96Å; A398-Q401 WeakPolarHBondContact O-CB 3.22Å; A398-Q401 PolarHBondContact O-N 3.36Å; R399-Q401 VanDerWaalsContact C-N 3.27Å; R399-Q401 PolarHBondContact O-N 2.89Å; Q401-K408 PolarHBondContact O-NZ 3.45Å; Q401-K408 VanDerWaalsContact O-NZ 3.08Å
402S92.5Very high96.6Very high112 Ų11265.4 Ų65.478%0.78337%0.37SS*.THydrogen-bonded Turntrans-82.7-6.1-178.559.30000115.2Q400Q400-S402 PolarHBondContact O-N 3.1Å; Q400-S402 VanDerWaalsContact O-N 3.15Å
403L95.9Very high96.5Very high39 Ų3970.4 Ų70.420%0.20439%0.394CS..SBendtrans-73.9149.4179.8-62.7-177.5000111.9Q400 R407 K408 L411Q400-L403 HydrophobicContact CB-CD1 3.94Å; Q400-L403 HydrophobicContact CB-CG 4.4Å; Q400-L403 HydrophobicContact CG-CD1 3.77Å; Q400-L403 WeakPolarHBondContact O-CB 3.21Å; Q400-L403 PolarHBondContact O-N 3.25Å; L403-R407 HydrophobicContact CD1-CG 4.17Å; L403-K408 HydrophobicContact CB-CG 4.13Å; L403-K408 WeakPolarHBondContact O-CE 3.46Å; L403-K408 PolarHBondContact O-NZ 2.92Å; L403-L411 HydrophobicContact CD1-CD1 3.65Å
404S97.8Very high96.6Very high64 Ų6467.2 Ų67.245%0.44838%0.375SS..  trans-63.3153.4175.469.40000111.7D406 R407 K408S404-D406 PolarHBondContact O-N 3.28Å; S404-R407 PolarHBondContact O-N 2.65Å; S404-R407 WeakPolarHBondContact OG-CB 3.46Å; S404-R407 PolarHBondContact OG-N 3.39Å; S404-K408 WeakPolarHBondContact O-CG 3.44Å; S404-K408 PolarHBondContact O-N 2.98Å
405P97.1Very high96.5Very high95 Ų9567.8 Ų67.862%0.61737%0.368SS*.Hα-helixtrans-55.9-37176.2-26.335.2000113.4K408 R409P405-K408 PolarHBondContact O-N 3.07Å; P405-R409 PolarHBondContact O-N 3.38Å
406D97.7Very high96.4Very high99 Ų9971.6 Ų71.653%0.52939%0.388SS..Hα-helixtrans-70.4-40.5179.9-64.5-34.1000112.1S404 K408 R409 E410S404-D406 PolarHBondContact O-N 3.28Å; D406-K408 VanDerWaalsContact C-N 3.35Å; D406-K408 PolarHBondContact O-N 3.11Å; D406-R409 WeakPolarHBondContact O-CB 3.4Å; D406-R409 PolarHBondContact O-N 3.14Å; D406-R409 IonicContact OD1-CZ 3.77Å; D406-R409 IonicContact OD1-NH1 2.82Å; D406-R409 PolarHBondContact OD1-NH1 3Å; D406-R409 IonicContact OD1-NH2 2.73Å; D406-R409 PolarHBondContact OD1-NH2 2.68Å; D406-E410 WeakPolarHBondContact O-CB 3.31Å; D406-E410 PolarHBondContact O-N 3.04Å
407R96.8Very high96.2Very high38 Ų3873.5 Ų73.514%0.14341%0.406CS..Hα-helixtrans-65.7-39174.9-176.956.7176.6178.50.5111.5E304 D360 L403 S404 R409 E410 L411E304-R407 IonicContact OE1-NH1 3.59Å; E304-R407 IonicContact OE2-CZ 3.02Å; E304-R407 IonicContact OE2-NH1 3.27Å; E304-R407 IonicContact OE2-NH2 3.82Å; E304-R407 PolarHBondContact OE2-NH2 3.29Å; D360-R407 IonicContact OD2-CZ 3.37Å; D360-R407 IonicContact OD2-NE 3.45Å; D360-R407 PolarHBondContact OD2-NE 3.49Å; D360-R407 IonicContact OD2-NH2 3.76Å; D360-R407 PolarHBondContact OD2-NH2 3.46Å; L403-R407 HydrophobicContact CD1-CG 4.17Å; S404-R407 PolarHBondContact O-N 2.65Å; S404-R407 WeakPolarHBondContact OG-CB 3.46Å; S404-R407 PolarHBondContact OG-N 3.39Å; R407-R409 VanDerWaalsContact C-N 3.33Å; R407-R409 PolarHBondContact O-N 3Å; R407-E410 VanDerWaalsContact CD-OE2 3.29Å; R407-E410 WeakPolarHBondContact CD-OE2 3.17Å; R407-E410 IonicContact CZ-OE2 3.71Å; R407-E410 IonicContact NE-OE2 2.78Å; R407-E410 VanDerWaalsContact NH1-CD 3.26Å; R407-E410 IonicContact NH1-OE1 2.78Å; R407-E410 IonicContact NH1-OE2 2.82Å; R407-E410 PolarHBondContact NH1-OE2 3.33Å; R407-E410 PolarHBondContact O-N 2.93Å; R407-L411 HydrophobicContact CG-CD1 4.12Å; R407-L411 HydrophobicContact CG-CG 4.37Å; R407-L411 WeakPolarHBondContact O-CB 3.47Å; R407-L411 WeakPolarHBondContact O-CG 3.44Å; R407-L411 PolarHBondContact O-N 3.25Å
408K97.3Very high96.1Very high72 Ų7270.6 Ų70.631%0.31338%0.381SS..Hα-helixtrans-60.5-42.8173.8-72.4172.3176.9163.90111.8Q400 Q401 L403 S404 P405 D406 L411 T412Q400-K408 WeakPolarHBondContact O-CE 3.2Å; Q400-K408 PolarHBondContact O-NZ 2.91Å; Q401-K408 PolarHBondContact O-NZ 3.45Å; Q401-K408 VanDerWaalsContact O-NZ 3.08Å; L403-K408 HydrophobicContact CB-CG 4.13Å; L403-K408 WeakPolarHBondContact O-CE 3.46Å; L403-K408 PolarHBondContact O-NZ 2.92Å; S404-K408 WeakPolarHBondContact O-CG 3.44Å; S404-K408 PolarHBondContact O-N 2.98Å; P405-K408 PolarHBondContact O-N 3.07Å; D406-K408 VanDerWaalsContact C-N 3.35Å; D406-K408 PolarHBondContact O-N 3.11Å; K408-L411 PolarHBondContact O-N 3.25Å; K408-T412 WeakPolarHBondContact O-CB 3.49Å; K408-T412 PolarHBondContact O-N 2.67Å; K408-T412 PolarHBondContact O-OG1 2.9Å
409R97.2Very high96Very high140 Ų14071.3 Ų71.353%0.52838%0.375SS..Hα-helixtrans-62.1-49.3176.4-165.8-172.8-50.7136.419.5111P405 D406 R407 L411 T412 E413P405-R409 PolarHBondContact O-N 3.38Å; D406-R409 WeakPolarHBondContact O-CB 3.4Å; D406-R409 PolarHBondContact O-N 3.14Å; D406-R409 IonicContact OD1-CZ 3.77Å; D406-R409 IonicContact OD1-NH1 2.82Å; D406-R409 PolarHBondContact OD1-NH1 3Å; D406-R409 IonicContact OD1-NH2 2.73Å; D406-R409 PolarHBondContact OD1-NH2 2.68Å; R407-R409 VanDerWaalsContact C-N 3.33Å; R407-R409 PolarHBondContact O-N 3Å; R409-L411 PolarHBondContact O-N 3.09Å; R409-T412 WeakPolarHBondContact O-CB 3.2Å; R409-T412 PolarHBondContact O-N 3.08Å; R409-T412 VanDerWaalsContact O-N 3.12Å; R409-E413 WeakPolarHBondContact O-CG 3.49Å; R409-E413 PolarHBondContact O-N 3.47Å
410E97.4Very high95.8Very high69 Ų6972.7 Ų72.732%0.32239%0.389SS..Hα-helixtrans-58-46.3177.4-178.2-175.3-163.100112.1D406 R407 T412 E413 R414D406-E410 WeakPolarHBondContact O-CB 3.31Å; D406-E410 PolarHBondContact O-N 3.04Å; R407-E410 VanDerWaalsContact CD-OE2 3.29Å; R407-E410 WeakPolarHBondContact CD-OE2 3.17Å; R407-E410 IonicContact CZ-OE2 3.71Å; R407-E410 IonicContact NE-OE2 2.78Å; R407-E410 VanDerWaalsContact NH1-CD 3.26Å; R407-E410 IonicContact NH1-OE1 2.78Å; R407-E410 IonicContact NH1-OE2 2.82Å; R407-E410 PolarHBondContact NH1-OE2 3.33Å; R407-E410 PolarHBondContact O-N 2.93Å; E410-T412 VanDerWaalsContact C-N 3.28Å; E410-T412 PolarHBondContact O-N 3.48Å; E410-E413 PolarHBondContact O-N 3.46Å; E410-R414 VanDerWaalsContact O-CG 3.28Å; E410-R414 WeakPolarHBondContact O-CG 3.32Å; E410-R414 PolarHBondContact O-N 2.85Å; E410-R414 IonicContact OE1-CZ 3.71Å; E410-R414 VanDerWaalsContact OE1-CZ 3.32Å; E410-R414 IonicContact OE1-NE 3.74Å; E410-R414 PolarHBondContact OE1-NE 3.36Å; E410-R414 IonicContact OE1-NH2 3.56Å; E410-R414 PolarHBondContact OE1-NH2 2.89Å
411L97.6Very high95.4Very high4 Ų473.5 Ų73.52%0.02139%0.393CS..Hα-helixtrans-61.7-37.4177.2-69.5170.3000111.9D360 L403 R407 K408 R409 L415D360-L411 HydrophobicContact CB-CD1 3.95Å; D360-L411 HydrophobicContact CB-CD2 4.09Å; L403-L411 HydrophobicContact CD1-CD1 3.65Å; R407-L411 HydrophobicContact CG-CD1 4.12Å; R407-L411 HydrophobicContact CG-CG 4.37Å; R407-L411 WeakPolarHBondContact O-CB 3.47Å; R407-L411 WeakPolarHBondContact O-CG 3.44Å; R407-L411 PolarHBondContact O-N 3.25Å; K408-L411 PolarHBondContact O-N 3.25Å; R409-L411 PolarHBondContact O-N 3.09Å; L411-L415 WeakPolarHBondContact O-CB 3.32Å; L411-L415 PolarHBondContact O-N 3.41Å
412T96.9Very high95.3Very high77 Ų7766.2 Ų66.247%0.47236%0.359SS..Hα-helixtrans-66.9-46176.8-560000111.3K408 R409 E410 R414 L415 L416K408-T412 WeakPolarHBondContact O-CB 3.49Å; K408-T412 PolarHBondContact O-N 2.67Å; K408-T412 PolarHBondContact O-OG1 2.9Å; R409-T412 WeakPolarHBondContact O-CB 3.2Å; R409-T412 PolarHBondContact O-N 3.08Å; R409-T412 VanDerWaalsContact O-N 3.12Å; E410-T412 VanDerWaalsContact C-N 3.28Å; E410-T412 PolarHBondContact O-N 3.48Å; T412-R414 VanDerWaalsContact C-N 3.34Å; T412-R414 PolarHBondContact O-N 2.93Å; T412-L415 PolarHBondContact O-N 2.88Å; T412-L416 WeakPolarHBondContact O-CG 3.49Å; T412-L416 PolarHBondContact O-N 3.47Å
413E96.1Very high95.1Very high116 Ų11667.3 Ų67.354%0.54236%0.355SS..Hα-helixtrans-60.3-43.5176.7-71.9170.3-173.400111.6R409 E410 L416 A417R409-E413 WeakPolarHBondContact O-CG 3.49Å; R409-E413 PolarHBondContact O-N 3.47Å; E410-E413 PolarHBondContact O-N 3.46Å; E413-L416 PolarHBondContact O-N 3.2Å; E413-A417 PolarHBondContact O-N 2.82Å
414R97.1Very high94.6Very high17 Ų1768.7 Ų68.76%0.06437%0.368CS..Hα-helixtrans-62.7-44.5175.1-69.1177.3-175.9-161.64.3111.7E304 Y320 E410 T412 L416 A417 E418E304-R414 IonicContact OE1-CZ 3.56Å; E304-R414 IonicContact OE1-NH1 3.57Å; E304-R414 PolarHBondContact OE1-NH1 2.86Å; E304-R414 IonicContact OE1-NH2 3.84Å; E304-R414 PolarHBondContact OE1-NH2 3.11Å; E304-R414 IonicContact OE2-CZ 2.81Å; E304-R414 IonicContact OE2-NH1 3.96Å; E304-R414 PolarHBondContact OE2-NH1 3.35Å; E304-R414 IonicContact OE2-NH2 3.99Å; Y320-R414 VanDerWaalsContact CD1-CZ 3.47Å; Y320-R414 VanDerWaalsContact CD1-NH1 3.27Å; Y320-R414 HydrophobicContact CE2-CG 3.93Å; Y320-R414 VanDerWaalsContact CZ-CZ 3.49Å; Y320-R414 VanDerWaalsContact CZ-NE 3.31Å; Y320-R414 WeakPolarHBondContact OH-CG 3.16Å; Y320-R414 PolarHBondContact OH-NE 3.26Å; E410-R414 VanDerWaalsContact O-CG 3.28Å; E410-R414 WeakPolarHBondContact O-CG 3.32Å; E410-R414 PolarHBondContact O-N 2.85Å; E410-R414 IonicContact OE1-CZ 3.71Å; E410-R414 VanDerWaalsContact OE1-CZ 3.32Å; E410-R414 IonicContact OE1-NE 3.74Å; E410-R414 PolarHBondContact OE1-NE 3.36Å; E410-R414 IonicContact OE1-NH2 3.56Å; E410-R414 PolarHBondContact OE1-NH2 2.89Å; T412-R414 VanDerWaalsContact C-N 3.34Å; T412-R414 PolarHBondContact O-N 2.93Å; R414-L416 VanDerWaalsContact C-N 3.33Å; R414-L416 PolarHBondContact O-N 3.33Å; R414-A417 WeakPolarHBondContact O-CB 3.4Å; R414-A417 PolarHBondContact O-N 3.26Å; R414-E418 WeakPolarHBondContact O-CG 3.4Å; R414-E418 PolarHBondContact O-N 3.46Å
415L96.1Very high93.7Very high54 Ų5468.8 Ų68.828%0.28337%0.367SS..Hα-helixtrans-61.9-40.5177.8179.261.4000111.7V363 L411 T412 A417 E418 L419V363-L415 HydrophobicContact CG1-CD1 4.15Å; L411-L415 WeakPolarHBondContact O-CB 3.32Å; L411-L415 PolarHBondContact O-N 3.41Å; T412-L415 PolarHBondContact O-N 2.88Å; L415-A417 VanDerWaalsContact C-N 3.31Å; L415-A417 PolarHBondContact O-N 3.24Å; L415-E418 PolarHBondContact O-N 3.03Å; L415-L419 HydrophobicContact CD1-CG 4.32Å; L415-L419 HydrophobicContact CG-CD1 4.31Å; L415-L419 HydrophobicContact CG-CG 4.39Å; L415-L419 WeakPolarHBondContact O-CG 3.41Å; L415-L419 PolarHBondContact O-N 2.9Å
416L93.9Very high92.6Very high104 Ų10467.8 Ų67.855%0.54535%0.353SS..Hα-helixtrans-58.8-43.2175-72.1170.6000111.7T412 E413 R414 E418 L419 V420T412-L416 WeakPolarHBondContact O-CG 3.49Å; T412-L416 PolarHBondContact O-N 3.47Å; E413-L416 PolarHBondContact O-N 3.2Å; R414-L416 VanDerWaalsContact C-N 3.33Å; R414-L416 PolarHBondContact O-N 3.33Å; L416-E418 VanDerWaalsContact C-N 3.35Å; L416-E418 PolarHBondContact O-N 3.04Å; L416-L419 PolarHBondContact O-N 2.89Å; L416-V420 WeakPolarHBondContact O-CG2 3.3Å; L416-V420 PolarHBondContact O-N 3.39Å; L416-V420 VanDerWaalsContact O-N 3.13Å
417A92.8Very high91.3Very high55 Ų5569.5 Ų69.546%0.45537%0.367SS..Hα-helixtrans-62.6-40.3175.500000112.3E413 R414 L415 V420 E421E413-A417 PolarHBondContact O-N 2.82Å; R414-A417 WeakPolarHBondContact O-CB 3.4Å; R414-A417 PolarHBondContact O-N 3.26Å; L415-A417 VanDerWaalsContact C-N 3.31Å; L415-A417 PolarHBondContact O-N 3.24Å; A417-V420 PolarHBondContact O-N 2.86Å; A417-E421 PolarHBondContact O-N 3.26Å; A417-E421 VanDerWaalsContact O-N 3.15Å
418E95.6Very high89.7Confident6 Ų669.6 Ų69.63%0.02837%0.373CS..Hα-helixtrans-64.7-43174.9-65.5-168.48300112.2R306 W327 R368 R414 L415 L416 V420 E421 F422R306-E418 IonicContact CZ-OE1 3.51Å; R306-E418 IonicContact CZ-OE2 3.5Å; R306-E418 IonicContact NH1-OE1 3.56Å; R306-E418 PolarHBondContact NH1-OE1 3.34Å; R306-E418 IonicContact NH1-OE2 2.63Å; R306-E418 PolarHBondContact NH1-OE2 2.88Å; R306-E418 VanDerWaalsContact NH1-OE2 3.13Å; R306-E418 IonicContact NH2-OE1 2.75Å; R306-E418 IonicContact NH2-OE2 2.75Å; R306-E418 PolarHBondContact NH2-OE2 3.45Å; W327-E418 VanDerWaalsContact CD1-OE2 3.31Å; W327-E418 PolarHBondContact NE1-OE2 3.29Å; R368-E418 IonicContact CZ-OE1 3.67Å; R368-E418 IonicContact NH1-OE1 2.72Å; R368-E418 PolarHBondContact NH1-OE1 3.46Å; R368-E418 IonicContact NH2-OE1 3.91Å; R368-E418 PolarHBondContact NH2-OE1 3.27Å; R414-E418 WeakPolarHBondContact O-CG 3.4Å; R414-E418 PolarHBondContact O-N 3.46Å; L415-E418 PolarHBondContact O-N 3.03Å; L416-E418 VanDerWaalsContact C-N 3.35Å; L416-E418 PolarHBondContact O-N 3.04Å; E418-V420 VanDerWaalsContact C-N 3.29Å; E418-V420 PolarHBondContact O-N 3Å; E418-E421 CarbonylContact O-C 3.45Å; E418-E421 WeakPolarHBondContact O-CA 3.38Å; E418-E421 VanDerWaalsContact O-CB 3.31Å; E418-E421 WeakPolarHBondContact O-CB 3.41Å; E418-E421 PolarHBondContact O-N 2.98Å; E418-F422 HydrophobicContact CB-CE1 4.21Å; E418-F422 HydrophobicContact CB-CE2 4.06Å; E418-F422 HydrophobicContact CB-CZ 3.76Å; E418-F422 WeakPolarHBondContact O-CD1 3.32Å; E418-F422 WeakPolarHBondContact O-CG 3.42Å; E418-F422 PolarHBondContact O-N 3.31Å
419L92.9Very high87.8Confident85 Ų8572.9 Ų72.945%0.44539%0.387SS..Hα-helixtrans-61.5-38178.2-69.8175.2000112L415 L416 F422 I423L415-L419 HydrophobicContact CD1-CG 4.32Å; L415-L419 HydrophobicContact CG-CD1 4.31Å; L415-L419 HydrophobicContact CG-CG 4.39Å; L415-L419 WeakPolarHBondContact O-CG 3.41Å; L415-L419 PolarHBondContact O-N 2.9Å; L416-L419 PolarHBondContact O-N 2.89Å; L419-F422 HydrophobicContact CD2-CD2 4.09Å; L419-F422 PolarHBondContact O-N 2.74Å; L419-I423 WeakPolarHBondContact O-CG1 3.32Å; L419-I423 PolarHBondContact O-N 3.34Å; L419-I423 VanDerWaalsContact O-N 3.1Å
420V90.2Very high85.5Confident89 Ų8972.8 Ų72.854%0.53940%0.404SS..Hα-helixtrans-64.3-40.2173.5174.60000111.3L416 A417 E418 F422 I423 S424L416-V420 WeakPolarHBondContact O-CG2 3.3Å; L416-V420 PolarHBondContact O-N 3.39Å; L416-V420 VanDerWaalsContact O-N 3.13Å; A417-V420 PolarHBondContact O-N 2.86Å; E418-V420 VanDerWaalsContact C-N 3.29Å; E418-V420 PolarHBondContact O-N 3Å; V420-F422 VanDerWaalsContact C-N 3.34Å; V420-I423 WeakPolarHBondContact O-CG1 3.45Å; V420-S424 WeakPolarHBondContact O-CB 3.5Å; V420-S424 PolarHBondContact O-N 3.45Å; V420-S424 PolarHBondContact O-OG 3.43Å
421E89.1Confident83.4Confident47 Ų4773 Ų7322%0.2243%0.425CS..Hα-helixtrans-60.2-44.8171.6-178-173.9-167.200110.9R368 A417 E418 I423 S424 K426R368-E421 IonicContact CZ-OE2 3.43Å; R368-E421 IonicContact NE-OE1 3.54Å; R368-E421 IonicContact NE-OE2 3.43Å; R368-E421 PolarHBondContact NE-OE2 3.22Å; R368-E421 IonicContact NH2-OE2 3.56Å; R368-E421 PolarHBondContact NH2-OE2 2.74Å; A417-E421 PolarHBondContact O-N 3.26Å; A417-E421 VanDerWaalsContact O-N 3.15Å; E418-E421 CarbonylContact O-C 3.45Å; E418-E421 WeakPolarHBondContact O-CA 3.38Å; E418-E421 VanDerWaalsContact O-CB 3.31Å; E418-E421 WeakPolarHBondContact O-CB 3.41Å; E418-E421 PolarHBondContact O-N 2.98Å; E421-I423 PolarHBondContact O-N 3.13Å; E421-S424 CarbonylContact O-C 3.59Å; E421-S424 PolarHBondContact O-N 2.87Å; E421-S424 VanDerWaalsContact O-N 3.08Å; E421-K426 IonicContact OE1-NZ 3.47Å
422F92.8Very high81.5Confident9 Ų975.1 Ų75.14%0.03944%0.435CS..Hα-helixtrans-65.9-35.8-174.9-63.4-12000113.5V363 D364 V365 W367 R368 H373 E418 L419 V420 S424V363-F422 HydrophobicContact CG1-CE2 4.29Å; D364-F422 WeakPolarHBondContact O-CE2 3.18Å; V365-F422 HydrophobicContact CB-CZ 4.35Å; V365-F422 HydrophobicContact CG1-CZ 4.14Å; W367-F422 HydrophobicContact CB-CB 3.57Å; W367-F422 HydrophobicContact CB-CD1 4Å; W367-F422 HydrophobicContact CB-CG 3.81Å; W367-F422 AromaticContact CD1-CD2 3.92Å; W367-F422 AromaticContact CD1-CG 3.95Å; W367-F422 HydrophobicContact CG-CB 3.99Å; W367-F422 HydrophobicContact CG-CG 4.28Å; R368-F422 HydrophobicContact CB-CD1 4.41Å; R368-F422 HydrophobicContact CB-CE1 3.98Å; R368-F422 VanDerWaalsContact NH2-CE1 3.32Å; H373-F422 PolarHBondContact CE1-O 3.32Å; E418-F422 HydrophobicContact CB-CE1 4.21Å; E418-F422 HydrophobicContact CB-CE2 4.06Å; E418-F422 HydrophobicContact CB-CZ 3.76Å; E418-F422 WeakPolarHBondContact O-CD1 3.32Å; E418-F422 WeakPolarHBondContact O-CG 3.42Å; E418-F422 PolarHBondContact O-N 3.31Å; L419-F422 HydrophobicContact CD2-CD2 4.09Å; L419-F422 PolarHBondContact O-N 2.74Å; V420-F422 VanDerWaalsContact C-N 3.34Å; F422-S424 PolarHBondContact O-N 2.87Å
423I90Very high79.6Confident135 Ų13574.1 Ų74.169%0.69243%0.426SS*.THydrogen-bonded Turntrans-81.5-2.2176.166.1177.8000113.2L419 V420 E421 P425L419-I423 WeakPolarHBondContact O-CG1 3.32Å; L419-I423 PolarHBondContact O-N 3.34Å; L419-I423 VanDerWaalsContact O-N 3.1Å; V420-I423 WeakPolarHBondContact O-CG1 3.45Å; E421-I423 PolarHBondContact O-N 3.13Å; I423-P425 WeakPolarHBondContact O-CD 3.44Å
424S84.9Confident77.4Confident68 Ų6868.8 Ų68.848%0.47640%0.403SS..SBendtrans-112.870.5-177.8-56.40000110.5V420 E421 F422 K426V420-S424 WeakPolarHBondContact O-CB 3.5Å; V420-S424 PolarHBondContact O-N 3.45Å; V420-S424 PolarHBondContact O-OG 3.43Å; E421-S424 CarbonylContact O-C 3.59Å; E421-S424 PolarHBondContact O-N 2.87Å; E421-S424 VanDerWaalsContact O-N 3.08Å; F422-S424 PolarHBondContact O-N 2.87Å; S424-K426 PolarHBondContact O-N 3.31Å
425P79.1Confident75.2Confident66 Ų6668.6 Ų68.643%0.42941%0.406SS..  trans-56.6129.2-176.921.8-31.7000111I423I423-P425 WeakPolarHBondContact O-CD 3.44Å
426K72.8Confident72.8Confident74 Ų7470.4 Ų70.432%0.32241%0.409SS..  trans-68143177.6-67.1175.2-178165.30110L341 C371 E421 S424 P428L341-K426 HydrophobicContact CD1-CB 4.38Å; C371-K426 WeakPolarHBondContact CB-O 3.42Å; E421-K426 IonicContact OE1-NZ 3.47Å; S424-K426 PolarHBondContact O-N 3.31Å; K426-P428 VanDerWaalsContact O-CD 3.28Å; K426-P428 WeakPolarHBondContact O-CD 3.35Å
427T70.8Confident70.1Confident135 Ų13567.7 Ų67.783%0.82840%0.399SS*.  trans-103.197170.8-32.30000108.4
428P63Low67.3Low40 Ų4070.2 Ų70.226%0.2641%0.413SS..PPolyproline II helixtrans-67137.9-179.126.5-32.4000110.3L341 I345 K426L341-P428 HydrophobicContact CD1-CB 4.18Å; L341-P428 HydrophobicContact CD1-CG 4.1Å; I345-P428 HydrophobicContact CD1-CG 4.37Å; I345-P428 HydrophobicContact CG1-CG 4.24Å; K426-P428 VanDerWaalsContact O-CD 3.28Å; K426-P428 WeakPolarHBondContact O-CD 3.35Å
429K56.8Low64.6Low141 Ų14170.2 Ų70.261%0.61341%0.414SS*.PPolyproline II helixtrans-74.9158166.4-59-177.4-176.3169.90109.8G431 E432K429-G431 PolarHBondContact O-N 2.95Å; K429-E432 HydrophobicContact CB-CG 4.03Å; K429-E432 WeakPolarHBondContact O-CB 3.33Å; K429-E432 PolarHBondContact O-N 3.37Å
430P51Low62.3Low137 Ų13768.4 Ų68.489%0.8941%0.409SS*.THydrogen-bonded Turntrans-52.8126.5176.3-24.634000111.3
431G51.7Low60.2Low75 Ų7567.1 Ų67.177%0.77340%0.399SS*.THydrogen-bonded Turntrans85.2-4.3-176.700000115.8K429K429-G431 PolarHBondContact O-N 2.95Å
432E58.8Low57.9Low48 Ų4864.9 Ų64.922%0.22439%0.388CS..  trans-93.4124.5178.4-65-177.1176.400112.2K429 G434 S437K429-E432 HydrophobicContact CB-CG 4.03Å; K429-E432 WeakPolarHBondContact O-CB 3.33Å; K429-E432 PolarHBondContact O-N 3.37Å; E432-G434 PolarHBondContact O-N 3.24Å; E432-S437 WeakPolarHBondContact OE1-CB 3.05Å; E432-S437 PolarHBondContact OE1-OG 3.38Å; E432-S437 VanDerWaalsContact OE1-OG 3.09Å; E432-S437 WeakPolarHBondContact OE2-CB 3.49Å; E432-S437 PolarHBondContact OE2-OG 3.24Å
433L57.1Low55.9Low55 Ų5564.5 Ų64.529%0.28839%0.387SS..  trans-83.531.6176.9-56.7-175.5000113L341 L342 I345 G435L341-L433 CarbonylContact C-O 3.51Å; L341-L433 VanDerWaalsContact C-O 3.32Å; L341-L433 WeakPolarHBondContact CA-O 3.37Å; L341-L433 WeakPolarHBondContact CB-O 3.46Å; L341-L433 PolarHBondContact N-O 3.27Å; L341-L433 VanDerWaalsContact N-O 3.14Å; L342-L433 HydrophobicContact CD1-CD1 3.67Å; L342-L433 PolarHBondContact N-O 3.48Å; I345-L433 HydrophobicContact CG2-CD2 4.27Å; L433-G435 PolarHBondContact O-N 3.12Å
434G48.8Very low54Low5 Ų561.4 Ų61.45%0.05237%0.366CS..SBendtrans58.215.5175.400000116.7P340 E432P340-G434 WeakPolarHBondContact CD-O 3.47Å; E432-G434 PolarHBondContact O-N 3.24Å
435G50.3Low52.4Low12 Ų1259.5 Ų59.512%0.12435%0.35CS..SBendtrans-73.7168.4158.200000111.4D338 L433 S437D338-G435 WeakPolarHBondContact O-CA 3.32Å; L433-G435 PolarHBondContact O-N 3.12Å; G435-S437 VanDerWaalsContact C-N 3.32Å; G435-S437 PolarHBondContact O-N 3.04Å
436R47.4Very low50.9Low92 Ų9256.4 Ų56.435%0.34733%0.33SS..  trans-62.687.9175-80.5-176.2171.3-167.8-1111.6R447R436-R447 PolarHBondContact O-NH2 3.1Å
437S35.7Very low50.2Low47 Ų4754.9 Ų54.933%0.32932%0.322SS..THydrogen-bonded Turntrans-69.7-20.5158.340.50000111.5E432 G435E432-S437 WeakPolarHBondContact OE1-CB 3.05Å; E432-S437 PolarHBondContact OE1-OG 3.38Å; E432-S437 VanDerWaalsContact OE1-OG 3.09Å; E432-S437 WeakPolarHBondContact OE2-CB 3.49Å; E432-S437 PolarHBondContact OE2-OG 3.24Å; G435-S437 VanDerWaalsContact C-N 3.32Å; G435-S437 PolarHBondContact O-N 3.04Å
438S35.3Very low49.3Very low109 Ų10951.6 Ų51.676%0.76232%0.315SS*.THydrogen-bonded Turntrans-103.712.6176.661.40000115
439G37.4Very low48.2Very low5 Ų552.9 Ų52.95%0.05232%0.318CS..SBendtrans-66.5159.3176.200000112.3R444G439-R444 PolarHBondContact O-NE 3.38Å
440S46.5Very low47.1Very low47 Ų4748.5 Ų48.533%0.32930%0.303SS..  trans-49147.8171.860.60000109.8A442 W443 R444S440-A442 PolarHBondContact O-N 2.75Å; S440-A442 VanDerWaalsContact O-N 3.15Å; S440-W443 PolarHBondContact O-N 3.29Å; S440-R444 PolarHBondContact O-N 2.86Å
441L44.3Very low46.6Very low63 Ų6349.1 Ų49.133%0.3329%0.288SS..Hα-helixtrans-53.1-40-176.5179.566.5000110.5W443 R444 M445L441-W443 VanDerWaalsContact C-N 3.34Å; L441-W443 PolarHBondContact O-N 3.37Å; L441-R444 PolarHBondContact O-N 3.02Å; L441-M445 HydrophobicContact CD1-CE 3.89Å; L441-M445 HydrophobicContact CD2-CE 3.38Å; L441-M445 HydrophobicContact CG-CE 3.29Å; L441-M445 WeakPolarHBondContact O-CG 3.46Å; L441-M445 PolarHBondContact O-N 2.93Å
442A41.5Very low45.7Very low0 Ų046.9 Ų46.90%026%0.262CS..Hα-helixtrans-53.7-41.6172.200000114.9L193 D197 C200 L202 S440 M445 A446L193-A442 HydrophobicContact CB-CB 4.22Å; L193-A442 HydrophobicContact CD2-CB 4.4Å; L193-A442 WeakPolarHBondContact CD2-O 3.18Å; D197-A442 HydrophobicContact CB-CB 3.99Å; D197-A442 PolarHBondContact OD2-N 2.84Å; C200-A442 HydrophobicContact CB-CB 3.72Å; C200-A442 WeakPolarHBondContact SG-CB 3.46Å; L202-A442 HydrophobicContact CD1-CB 4.06Å; S440-A442 PolarHBondContact O-N 2.75Å; S440-A442 VanDerWaalsContact O-N 3.15Å; A442-M445 PolarHBondContact O-N 3.41Å; A442-A446 WeakPolarHBondContact O-CB 3.32Å; A442-A446 PolarHBondContact O-N 3.43Å
443W50.3Low44.5Very low0 Ų049 Ų490%029%0.287CS..Hα-helixtrans-70.3-38.5-176.6-172.2-122.6000112.7L202 D206 L328 D338 S440 L441 A446 R447L202-W443 HydrophobicContact CD1-CB 4.36Å; L202-W443 HydrophobicContact CD1-CE3 3.59Å; L202-W443 HydrophobicContact CD1-CZ3 4.31Å; L202-W443 HydrophobicContact CD2-CD2 3.97Å; L202-W443 HydrophobicContact CD2-CE3 3.23Å; L202-W443 HydrophobicContact CD2-CZ3 3.69Å; L202-W443 HydrophobicContact CG-CE3 4.03Å; D206-W443 HydrophobicContact CB-CH2 4.45Å; D206-W443 HydrophobicContact CB-CZ3 3.93Å; L328-W443 HydrophobicContact CD1-CH2 3.71Å; L328-W443 HydrophobicContact CD1-CZ2 3.98Å; L328-W443 HydrophobicContact CD2-CZ2 4.32Å; D338-W443 HydrophobicContact CB-CZ2 3.85Å; D338-W443 PolarHBondContact OD2-NE1 3.36Å; S440-W443 PolarHBondContact O-N 3.29Å; L441-W443 VanDerWaalsContact C-N 3.34Å; L441-W443 PolarHBondContact O-N 3.37Å; W443-A446 HydrophobicContact CE3-CB 4.27Å; W443-A446 PolarHBondContact O-N 2.8Å; W443-R447 PolarHBondContact O-N 3.18Å
444R50.3Low43.5Very low71 Ų7151.5 Ų51.527%0.26830%0.301SS..Hα-helixtrans-68.9-35.9174.9-68-176.6-79.5152.4-2.4111.7G439 S440 L441 G448 E449 T450G439-R444 PolarHBondContact O-NE 3.38Å; S440-R444 PolarHBondContact O-N 2.86Å; L441-R444 PolarHBondContact O-N 3.02Å; R444-G448 PolarHBondContact O-N 3.28Å; R444-E449 PolarHBondContact O-N 2.79Å; R444-T450 WeakPolarHBondContact CB-OG1 3.29Å; R444-T450 PolarHBondContact O-N 3.14Å
445M52.5Low42.8Very low27 Ų2758.9 Ų58.913%0.13333%0.332CS..Hα-helixtrans-62.9-43170.6-70.6-171.1-154.600113L193 A196 L441 A442 R447 G448 T450 A452L193-M445 HydrophobicContact CD2-CB 3.38Å; L193-M445 HydrophobicContact CD2-CG 4.44Å; L193-M445 HydrophobicContact CD2-SD 4.3Å; A196-M445 HydrophobicContact CB-CE 3.56Å; A196-M445 HydrophobicContact CB-SD 3.6Å; A196-M445 VanDerWaalsContact CB-SD 3.6Å; L441-M445 HydrophobicContact CD1-CE 3.89Å; L441-M445 HydrophobicContact CD2-CE 3.38Å; L441-M445 HydrophobicContact CG-CE 3.29Å; L441-M445 WeakPolarHBondContact O-CG 3.46Å; L441-M445 PolarHBondContact O-N 2.93Å; A442-M445 PolarHBondContact O-N 3.41Å; M445-R447 VanDerWaalsContact C-N 3.25Å; M445-R447 PolarHBondContact O-N 3.07Å; M445-G448 PolarHBondContact O-N 3.32Å; M445-T450 WeakPolarHBondContact CA-O 3.49Å; M445-T450 VanDerWaalsContact CG-O 3.27Å; M445-T450 WeakPolarHBondContact CG-O 3.29Å; M445-A452 HydrophobicContact CE-CB 3.42Å; M445-A452 VanDerWaalsContact CE-CB 3.42Å; M445-A452 HydrophobicContact SD-CB 3.73Å
446A46.8Very low42.2Very low2 Ų267.5 Ų67.52%0.01737%0.366CS..Hα-helixtrans-58.6-39.7-178.300000112.2K189 L193 L202 L210 A442 W443 G448K189-A446 VanDerWaalsContact CE-O 3.28Å; K189-A446 WeakPolarHBondContact CE-O 3.21Å; K189-A446 PolarHBondContact NZ-O 3.25Å; L193-A446 HydrophobicContact CD1-CB 3.54Å; L193-A446 HydrophobicContact CD2-CB 4.33Å; L202-A446 HydrophobicContact CD1-CB 4.32Å; L210-A446 HydrophobicContact CD1-CB 3.54Å; L210-A446 WeakPolarHBondContact CD1-O 3.47Å; A442-A446 WeakPolarHBondContact O-CB 3.32Å; A442-A446 PolarHBondContact O-N 3.43Å; W443-A446 HydrophobicContact CE3-CB 4.27Å; W443-A446 PolarHBondContact O-N 2.8Å; A446-G448 VanDerWaalsContact C-N 3.29Å; A446-G448 PolarHBondContact O-N 2.94Å
447R57.7Low42.1Very low41 Ų4165.8 Ų65.816%0.15537%0.366CS..THydrogen-bonded Turntrans-81.4-2.8179.1-61.9-166.3-59.8-167.80.4114.2L210 C337 D338 R436 W443 M445 E449L210-R447 HydrophobicContact CD1-CG 4.4Å; L210-R447 HydrophobicContact CD2-CG 4.19Å; C337-R447 WeakPolarHBondContact O-CD 3.47Å; C337-R447 PolarHBondContact O-NH1 3.36Å; D338-R447 PolarHBondContact O-NH1 2.92Å; D338-R447 IonicContact OD2-NH1 3.7Å; R436-R447 PolarHBondContact O-NH2 3.1Å; W443-R447 PolarHBondContact O-N 3.18Å; M445-R447 VanDerWaalsContact C-N 3.25Å; M445-R447 PolarHBondContact O-N 3.07Å; R447-E449 HydrophobicContact CB-CG 3.93Å; R447-E449 IonicContact CZ-OE1 2.68Å; R447-E449 IonicContact CZ-OE2 2.78Å; R447-E449 VanDerWaalsContact CZ-OE2 3.29Å; R447-E449 VanDerWaalsContact NE-CD 3.26Å; R447-E449 IonicContact NE-OE1 3.73Å; R447-E449 PolarHBondContact NE-OE1 3.37Å; R447-E449 IonicContact NE-OE2 3.13Å; R447-E449 PolarHBondContact NE-OE2 3.38Å; R447-E449 IonicContact NH1-OE1 3.55Å; R447-E449 VanDerWaalsContact NH2-CD 3.32Å; R447-E449 IonicContact NH2-OE1 3.49Å; R447-E449 PolarHBondContact NH2-OE1 2.67Å; R447-E449 IonicContact NH2-OE2 2.98Å; R447-E449 PolarHBondContact NH2-OE2 3.11Å; R447-E449 PolarHBondContact O-N 3.14Å
448G51.3Low43Very low66 Ų6672.1 Ų72.168%0.6839%0.39SS*.THydrogen-bonded Turntrans71.416-176.700000114.4R444 M445 A446R444-G448 PolarHBondContact O-N 3.28Å; M445-G448 PolarHBondContact O-N 3.32Å; A446-G448 VanDerWaalsContact C-N 3.29Å; A446-G448 PolarHBondContact O-N 2.94Å
449E39.9Very low45.2Very low68 Ų6869.1 Ų69.132%0.31837%0.372SS..SBendtrans-83.7-23-178.7-65.8173.6177.300113K339 R444 R447K339-E449 WeakPolarHBondContact CE-OE1 3.4Å; K339-E449 IonicContact NZ-OE1 2.81Å; K339-E449 PolarHBondContact NZ-OE1 3.18Å; R444-E449 PolarHBondContact O-N 2.79Å; R447-E449 HydrophobicContact CB-CG 3.93Å; R447-E449 IonicContact CZ-OE1 2.68Å; R447-E449 IonicContact CZ-OE2 2.78Å; R447-E449 VanDerWaalsContact CZ-OE2 3.29Å; R447-E449 VanDerWaalsContact NE-CD 3.26Å; R447-E449 IonicContact NE-OE1 3.73Å; R447-E449 PolarHBondContact NE-OE1 3.37Å; R447-E449 IonicContact NE-OE2 3.13Å; R447-E449 PolarHBondContact NE-OE2 3.38Å; R447-E449 IonicContact NH1-OE1 3.55Å; R447-E449 VanDerWaalsContact NH2-CD 3.32Å; R447-E449 IonicContact NH2-OE1 3.49Å; R447-E449 PolarHBondContact NH2-OE1 2.67Å; R447-E449 IonicContact NH2-OE2 2.98Å; R447-E449 PolarHBondContact NH2-OE2 3.11Å; R447-E449 PolarHBondContact O-N 3.14Å
450T34.7Very low47.7Very low49 Ų4971.6 Ų71.630%0.30138%0.382SS..SBendtrans-147.5120.9177.8-37.10000106.1R444 M445R444-T450 WeakPolarHBondContact CB-OG1 3.29Å; R444-T450 PolarHBondContact O-N 3.14Å; M445-T450 WeakPolarHBondContact CA-O 3.49Å; M445-T450 VanDerWaalsContact CG-O 3.27Å; M445-T450 WeakPolarHBondContact CG-O 3.29Å
451R40.4Very low49.9Very low149 Ų14971.3 Ų71.356%0.56238%0.378SS*.  trans-70.8155167.4-71.2-176.7177.8-169.9-0.5108A453 D499R451-A453 PolarHBondContact O-N 3.04Å; R451-D499 IonicContact CZ-OD2 2.87Å; R451-D499 IonicContact NH1-OD2 2.91Å; R451-D499 PolarHBondContact NH1-OD2 3.48Å; R451-D499 IonicContact NH2-OD2 3.62Å
452A32.8Very low52.3Low28 Ų2868.4 Ų68.423%0.23136%0.362CS..SBendtrans-43.1130.3161.200000108.1A196 M445 D454A196-A452 HydrophobicContact CB-CB 4.31Å; M445-A452 HydrophobicContact CE-CB 3.42Å; M445-A452 VanDerWaalsContact CE-CB 3.42Å; M445-A452 HydrophobicContact SD-CB 3.73Å; A452-D454 VanDerWaalsContact O-CA 3.24Å; A452-D454 WeakPolarHBondContact O-CA 3.25Å; A452-D454 PolarHBondContact O-N 3.47Å
453A33Very low54.7Low92 Ų9271.3 Ų71.376%0.7638%0.38SS*.THydrogen-bonded Turntrans-30.6110.9175.200000106.8R451 K455R451-A453 PolarHBondContact O-N 3.04Å; A453-K455 PolarHBondContact O-N 3.37Å
454D35.8Very low56.8Low108 Ų10871.7 Ų71.758%0.57838%0.383SS*.THydrogen-bonded Turntrans-26.4103-155.7-77.8-56.5000108.2A452 K456A452-D454 VanDerWaalsContact O-CA 3.24Å; A452-D454 WeakPolarHBondContact O-CA 3.25Å; A452-D454 PolarHBondContact O-N 3.47Å; D454-K456 PolarHBondContact O-N 3.49Å
455K35.3Very low58.9Low160 Ų16070 Ų7070%0.69638%0.38SS*.  trans-48.9106.2157-98.5-171.8179.4177.70100.2A453 T457A453-K455 PolarHBondContact O-N 3.37Å; K455-T457 WeakPolarHBondContact O-CA 3.44Å; K455-T457 PolarHBondContact O-N 3.35Å; K455-T457 PolarHBondContact O-OG1 3.42Å
456K38Very low60.7Low193 Ų19374.5 Ų74.584%0.83941%0.405SS*.  trans-43.2102.4-177.1-89.7179.7173.21790102.6D454 E458D454-K456 PolarHBondContact O-N 3.49Å; K456-E458 PolarHBondContact O-N 3.2Å
457T45.2Very low62.9Low57 Ų5779.1 Ų79.135%0.3543%0.426SS..  trans-65.9109.1176-42.8000098.6K455 A459K455-T457 WeakPolarHBondContact O-CA 3.44Å; K455-T457 PolarHBondContact O-N 3.35Å; K455-T457 PolarHBondContact O-OG1 3.42Å; T457-A459 WeakPolarHBondContact O-CA 3.32Å; T457-A459 PolarHBondContact O-N 3.33Å
458E54.4Low64.7Low180 Ų18077.2 Ų77.284%0.84142%0.419SS*.  trans-48.4117.4-171.3-76.8-173.7159.800106K456 F460K456-E458 PolarHBondContact O-N 3.2Å; E458-F460 PolarHBondContact O-N 2.9Å
459A81.2Confident66.8Low45 Ų4577.6 Ų77.637%0.37240%0.402SS..  trans-59.9113.2-165.200000107T457 V461 W503T457-A459 WeakPolarHBondContact O-CA 3.32Å; T457-A459 PolarHBondContact O-N 3.33Å; A459-V461 PolarHBondContact O-N 3.12Å; A459-W503 HydrophobicContact CB-CD2 3.91Å; A459-W503 HydrophobicContact CB-CE3 3.26Å; A459-W503 HydrophobicContact CB-CH2 3.87Å; A459-W503 HydrophobicContact CB-CZ2 4.45Å; A459-W503 HydrophobicContact CB-CZ3 3.22Å; A459-W503 WeakPolarHBondContact CB-O 3.49Å; A459-W503 WeakPolarHBondContact O-CZ3 3.36Å
460F90Very high69.3Low58 Ų5883.4 Ų83.425%0.25443%0.426SS..  trans-77.3129.6-169.4-171.9-84000109.5E458 F462 I495 Q500 C501 V502E458-F460 PolarHBondContact O-N 2.9Å; F460-F462 HydrophobicContact CD1-CD2 4.01Å; F460-F462 HydrophobicContact CD1-CE1 4.49Å; F460-F462 AromaticContact CD1-CE2 3.89Å; F460-F462 HydrophobicContact CD1-CE2 3.89Å; F460-F462 HydrophobicContact CD1-CG 4.37Å; F460-F462 HydrophobicContact CD1-CZ 4.15Å; F460-F462 AromaticContact CE1-CD1 3.66Å; F460-F462 HydrophobicContact CE1-CD1 3.66Å; F460-F462 AromaticContact CE1-CD2 3.85Å; F460-F462 HydrophobicContact CE1-CD2 3.85Å; F460-F462 AromaticContact CE1-CE1 3.6Å; F460-F462 HydrophobicContact CE1-CE1 3.6Å; F460-F462 AromaticContact CE1-CE2 3.8Å; F460-F462 HydrophobicContact CE1-CE2 3.8Å; F460-F462 AromaticContact CE1-CG 3.79Å; F460-F462 HydrophobicContact CE1-CG 3.79Å; F460-F462 AromaticContact CE1-CZ 3.67Å; F460-F462 HydrophobicContact CE1-CZ 3.67Å; F460-F462 HydrophobicContact CZ-CD1 4.45Å; F460-F462 HydrophobicContact CZ-CE1 4.31Å; F460-I495 HydrophobicContact CZ-CD1 4.44Å; F460-Q500 WeakPolarHBondContact CB-O 3.45Å; F460-Q500 VanDerWaalsContact CD2-O 3.3Å; F460-Q500 WeakPolarHBondContact CD2-O 3.46Å; F460-Q500 WeakPolarHBondContact CG-O 3.41Å; F460-C501 HydrophobicContact CD1-CB 4.14Å; F460-C501 HydrophobicContact CE1-CB 4.41Å; F460-V502 PolarHBondContact N-O 2.91Å; F460-V502 VanDerWaalsContact N-O 3.07Å
461V92.3Very high72.1Confident41 Ų4184.2 Ų84.225%0.24844%0.438CS..EExtended strand (participates in β ladder)trans-120.9123.4176.6-1770000108.7A459 T463 W503 K535 D537A459-V461 PolarHBondContact O-N 3.12Å; V461-T463 HydrophobicContact CG1-CG2 4.28Å; V461-T463 PolarHBondContact O-N 2.92Å; V461-W503 HydrophobicContact CG2-CD2 4.41Å; V461-W503 HydrophobicContact CG2-CE3 3.3Å; V461-W503 HydrophobicContact CG2-CH2 4.17Å; V461-W503 HydrophobicContact CG2-CZ3 3.15Å; V461-K535 HydrophobicContact CG1-CG 4.21Å; V461-K535 HydrophobicContact CG2-CD 4.17Å; V461-K535 HydrophobicContact CG2-CG 4.37Å; V461-D537 HydrophobicContact CG1-CB 3.49Å; V461-D537 VanDerWaalsContact CG1-CB 3.49Å
462F94Very high74.8Confident1 Ų181 Ų810%0.00443%0.425CS..EExtended strand (participates in β ladder)trans-74.1110.7169.9-71.4-84.7000109.7F460 L474 V476 C501 K535 F536 D537F460-F462 HydrophobicContact CD1-CD2 4.01Å; F460-F462 HydrophobicContact CD1-CE1 4.49Å; F460-F462 AromaticContact CD1-CE2 3.89Å; F460-F462 HydrophobicContact CD1-CE2 3.89Å; F460-F462 HydrophobicContact CD1-CG 4.37Å; F460-F462 HydrophobicContact CD1-CZ 4.15Å; F460-F462 AromaticContact CE1-CD1 3.66Å; F460-F462 HydrophobicContact CE1-CD1 3.66Å; F460-F462 AromaticContact CE1-CD2 3.85Å; F460-F462 HydrophobicContact CE1-CD2 3.85Å; F460-F462 AromaticContact CE1-CE1 3.6Å; F460-F462 HydrophobicContact CE1-CE1 3.6Å; F460-F462 AromaticContact CE1-CE2 3.8Å; F460-F462 HydrophobicContact CE1-CE2 3.8Å; F460-F462 AromaticContact CE1-CG 3.79Å; F460-F462 HydrophobicContact CE1-CG 3.79Å; F460-F462 AromaticContact CE1-CZ 3.67Å; F460-F462 HydrophobicContact CE1-CZ 3.67Å; F460-F462 HydrophobicContact CZ-CD1 4.45Å; F460-F462 HydrophobicContact CZ-CE1 4.31Å; F462-L474 HydrophobicContact CB-CD1 4.43Å; F462-V476 HydrophobicContact CD1-CG2 3.89Å; F462-V476 HydrophobicContact CE1-CB 4.47Å; F462-V476 HydrophobicContact CE1-CG1 4.05Å; F462-V476 HydrophobicContact CE1-CG2 3.61Å; F462-V476 HydrophobicContact CZ-CG1 3.88Å; F462-V476 HydrophobicContact CZ-CG2 4.16Å; F462-C501 HydrophobicContact CE2-CB 3.94Å; F462-C501 HydrophobicContact CZ-CB 3.6Å; F462-K535 PolarHBondContact N-O 2.94Å; F462-F536 HydrophobicContact CB-CB 4.4Å; F462-F536 HydrophobicContact CB-CD1 3.37Å; F462-F536 HydrophobicContact CB-CE1 3.8Å; F462-F536 HydrophobicContact CB-CG 4.06Å; F462-F536 HydrophobicContact CD1-CE1 4.38Å; F462-F536 AromaticContact CD2-CD1 3.95Å; F462-F536 HydrophobicContact CD2-CD1 3.95Å; F462-F536 AromaticContact CD2-CE1 3.59Å; F462-F536 HydrophobicContact CD2-CE1 3.59Å; F462-F536 HydrophobicContact CD2-CE2 4.47Å; F462-F536 AromaticContact CD2-CZ 3.87Å; F462-F536 HydrophobicContact CD2-CZ 3.87Å; F462-F536 HydrophobicContact CE2-CE1 4.25Å; F462-F536 HydrophobicContact CE2-CZ 4.26Å; F462-F536 AromaticContact CG-CD1 3.8Å; F462-F536 HydrophobicContact CG-CD1 3.8Å; F462-F536 AromaticContact CG-CE1 3.66Å; F462-F536 HydrophobicContact CG-CE1 3.66Å; F462-F536 HydrophobicContact CG-CZ 4.41Å; F462-F536 CarbonylContact O-C 3.58Å; F462-F536 WeakPolarHBondContact O-CA 3.42Å; F462-D537 PolarHBondContact O-N 3.09Å
463T93.3Very high77.8Confident62 Ų6281.9 Ų81.938%0.3843%0.426SS..  trans-106.4137.5168.356.30000110.1V461 T465 R487 D537V461-T463 HydrophobicContact CG1-CG2 4.28Å; V461-T463 PolarHBondContact O-N 2.92Å; T463-T465 PolarHBondContact O-N 2.97Å; T463-R487 PolarHBondContact O-NH2 3.18Å; T463-D537 HydrophobicContact CG2-CB 4.37Å
464P93.9Very high80.9Confident7 Ų777.5 Ų77.55%0.04539%0.39CS..  trans-54.6128.3-179.5-28.635.5000113.4E468 K469 L474 D537 L538 A541 L543 L631P464-E468 VanDerWaalsContact CA-OE2 3.31Å; P464-E468 WeakPolarHBondContact CA-OE2 3.31Å; P464-E468 HydrophobicContact CB-CB 4.39Å; P464-K469 HydrophobicContact CB-CG 4.04Å; P464-K469 WeakPolarHBondContact O-CE 3.17Å; P464-L474 HydrophobicContact CG-CD1 4.34Å; P464-D537 VanDerWaalsContact CD-O 3.23Å; P464-D537 WeakPolarHBondContact CD-O 3.35Å; P464-L538 HydrophobicContact CG-CD2 3.51Å; P464-A541 HydrophobicContact CB-CB 4.02Å; P464-A541 HydrophobicContact CG-CB 3.89Å; P464-L543 HydrophobicContact CB-CD1 4.21Å; P464-L543 HydrophobicContact CG-CD1 4.24Å; P464-L631 HydrophobicContact CB-CD1 4.43Å; P464-L631 HydrophobicContact CG-CD1 4.36Å
465T93.8Very high83.8Confident36 Ų3673.4 Ų73.422%0.22137%0.368CS..  trans-73.8167.7170.471.40000110.8T463 E467 E468 K469T463-T465 PolarHBondContact O-N 2.97Å; T465-E467 PolarHBondContact O-N 3.08Å; T465-E468 PolarHBondContact N-OE2 3.42Å; T465-E468 PolarHBondContact O-N 3.15Å; T465-E468 VanDerWaalsContact O-N 3.14Å; T465-E468 VanDerWaalsContact OG1-CG 3.3Å; T465-E468 WeakPolarHBondContact OG1-CG 3.22Å; T465-E468 PolarHBondContact OG1-N 3.42Å; T465-K469 VanDerWaalsContact O-CG 3.29Å; T465-K469 WeakPolarHBondContact O-CG 3.27Å; T465-K469 PolarHBondContact O-N 3.22Å
466D92Very high86.8Confident121 Ų12165.9 Ų65.965%0.64734%0.335SS*.Hα-helixtrans-64.3-30.6178-64.8-29.3000112.7K469 K470D466-K469 IonicContact OD1-NZ 2.82Å; D466-K469 PolarHBondContact OD1-NZ 3.13Å; D466-K470 WeakPolarHBondContact O-CB 3.39Å; D466-K470 PolarHBondContact O-N 3.33Å; D466-K470 VanDerWaalsContact O-N 3.13Å
467E92.8Very high89.7Confident100 Ų10061.4 Ų61.447%0.46731%0.313SS..Hα-helixtrans-63.3-46.3171.2-66.3-178.7179.700111T465 K470 A471 S491T465-E467 PolarHBondContact O-N 3.08Å; E467-K470 PolarHBondContact O-N 2.88Å; E467-A471 VanDerWaalsContact O-CB 3.28Å; E467-A471 WeakPolarHBondContact O-CB 3.27Å; E467-A471 PolarHBondContact O-N 3.13Å; E467-S491 PolarHBondContact OE2-N 2.98Å; E467-S491 PolarHBondContact OE2-OG 3.37Å; E467-S491 VanDerWaalsContact OE2-OG 3.13Å
468E95.4Very high92.2Very high0 Ų058.8 Ų58.80%030%0.296CS..Hα-helixtrans-68.9-36.8-179.4-66.4173.816100112.3P464 T465 K470 A471 R472 L473 R487 S489P464-E468 VanDerWaalsContact CA-OE2 3.31Å; P464-E468 WeakPolarHBondContact CA-OE2 3.31Å; P464-E468 HydrophobicContact CB-CB 4.39Å; T465-E468 PolarHBondContact N-OE2 3.42Å; T465-E468 PolarHBondContact O-N 3.15Å; T465-E468 VanDerWaalsContact O-N 3.14Å; T465-E468 VanDerWaalsContact OG1-CG 3.3Å; T465-E468 WeakPolarHBondContact OG1-CG 3.22Å; T465-E468 PolarHBondContact OG1-N 3.42Å; E468-K470 VanDerWaalsContact C-N 3.34Å; E468-A471 PolarHBondContact O-N 3.39Å; E468-R472 WeakPolarHBondContact O-CA 3.44Å; E468-R472 PolarHBondContact O-N 3.25Å; E468-L473 VanDerWaalsContact CB-O 3.31Å; E468-L473 WeakPolarHBondContact CB-O 3.38Å; E468-L473 WeakPolarHBondContact CG-O 3.46Å; E468-L473 PolarHBondContact O-N 3Å; E468-R487 IonicContact OE1-CZ 2.68Å; E468-R487 IonicContact OE1-NE 3.61Å; E468-R487 PolarHBondContact OE1-NE 3.07Å; E468-R487 IonicContact OE1-NH2 2.84Å; E468-R487 PolarHBondContact OE1-NH2 3.41Å; E468-R487 IonicContact OE2-CZ 3.42Å; E468-R487 IonicContact OE2-NE 3.32Å; E468-R487 IonicContact OE2-NH2 3.14Å; E468-R487 PolarHBondContact OE2-NH2 3.35Å; E468-S489 PolarHBondContact OE1-OG 2.75Å
469K93.8Very high94.2Very high74 Ų7450.8 Ų50.832%0.32226%0.261SS..Hα-helixtrans-60.2-45.2172.3-69.2172.2-163162.50110.8P464 T465 D466 R472 L543P464-K469 HydrophobicContact CB-CG 4.04Å; P464-K469 WeakPolarHBondContact O-CE 3.17Å; T465-K469 VanDerWaalsContact O-CG 3.29Å; T465-K469 WeakPolarHBondContact O-CG 3.27Å; T465-K469 PolarHBondContact O-N 3.22Å; D466-K469 IonicContact OD1-NZ 2.82Å; D466-K469 PolarHBondContact OD1-NZ 3.13Å; K469-R472 WeakPolarHBondContact O-CD 3.43Å; K469-R472 PolarHBondContact O-NE 3.43Å; K469-L543 HydrophobicContact CB-CD1 4.39Å; K469-L543 HydrophobicContact CG-CD1 3.91Å
470K92.8Very high94.8Very high191 Ų19148.7 Ų48.783%0.8324%0.243SC*.Hα-helixtrans-69.1-42.1179-173.5-179.4179-176.80112D466 E467 E468 R472D466-K470 WeakPolarHBondContact O-CB 3.39Å; D466-K470 PolarHBondContact O-N 3.33Å; D466-K470 VanDerWaalsContact O-N 3.13Å; E467-K470 PolarHBondContact O-N 2.88Å; E468-K470 VanDerWaalsContact C-N 3.34Å; K470-R472 VanDerWaalsContact C-N 3.3Å
471A94.4Very high95Very high66 Ų6646.9 Ų46.955%0.54524%0.237SC..Hα-helixtrans-78.6-12.7-179.400000113.6E467 E468 L473E467-A471 VanDerWaalsContact O-CB 3.28Å; E467-A471 WeakPolarHBondContact O-CB 3.27Å; E467-A471 PolarHBondContact O-N 3.13Å; E468-A471 PolarHBondContact O-N 3.39Å; A471-L473 PolarHBondContact O-N 2.96Å
472R96.2Very high95.1Very high80 Ų8050.1 Ų50.130%0.30225%0.248SC..THydrogen-bonded Turntrans55.832.5-173.9-60.4-64.6-177.6153.33.8113.4E468 K469 K470 Q630 L631 D633E468-R472 WeakPolarHBondContact O-CA 3.44Å; E468-R472 PolarHBondContact O-N 3.25Å; K469-R472 WeakPolarHBondContact O-CD 3.43Å; K469-R472 PolarHBondContact O-NE 3.43Å; K470-R472 VanDerWaalsContact C-N 3.3Å; R472-Q630 PolarHBondContact O-OE1 3.25Å; R472-L631 HydrophobicContact CB-CB 4.43Å; R472-L631 PolarHBondContact O-N 2.73Å; R472-D633 IonicContact CZ-OD1 2.71Å; R472-D633 IonicContact CZ-OD2 3.82Å; R472-D633 IonicContact NH1-OD1 2.92Å; R472-D633 PolarHBondContact NH1-OD1 3.48Å; R472-D633 IonicContact NH1-OD2 3.5Å; R472-D633 IonicContact NH2-OD1 2.74Å; R472-D633 PolarHBondContact NH2-OD1 3.45Å; R472-D633 IonicContact NH2-OD2 3.92Å; R472-D633 PolarHBondContact NH2-OD2 3.17Å
473L97Very high95.1Very high47 Ų4751.3 Ų51.325%0.24625%0.254CS..EExtended strand (participates in β ladder)trans-143.4126.7-174.6176.861.5000110.5E468 A471 H475 S489 V628 I629E468-L473 VanDerWaalsContact CB-O 3.31Å; E468-L473 WeakPolarHBondContact CB-O 3.38Å; E468-L473 WeakPolarHBondContact CG-O 3.46Å; E468-L473 PolarHBondContact O-N 3Å; A471-L473 PolarHBondContact O-N 2.96Å; L473-H475 HydrophobicContact CD1-CB 4.44Å; L473-H475 HydrophobicContact CG-CB 4.33Å; L473-S489 WeakPolarHBondContact O-CB 3.48Å; L473-V628 HydrophobicContact CD1-CG1 3.67Å; L473-I629 WeakPolarHBondContact CA-O 3.48Å
474L97.3Very high95.2Very high0 Ų051.1 Ų51.10%025%0.249CC..EExtended strand (participates in β ladder)trans-115.1121.4165.7-171.2161.1000108.5F462 P464 V476 F536 V628 I629 L631F462-L474 HydrophobicContact CB-CD1 4.43Å; P464-L474 HydrophobicContact CG-CD1 4.34Å; L474-V476 HydrophobicContact CD2-CG2 3.82Å; L474-F536 HydrophobicContact CD1-CD1 4.27Å; L474-F536 HydrophobicContact CD2-CD1 3.67Å; L474-F536 HydrophobicContact CD2-CE1 3.62Å; L474-V628 CarbonylContact O-C 3.38Å; L474-I629 HydrophobicContact CB-CB 4.33Å; L474-I629 HydrophobicContact CD2-CD1 4.37Å; L474-I629 PolarHBondContact N-O 3.23Å; L474-I629 PolarHBondContact O-N 2.94Å; L474-L631 HydrophobicContact CB-CD1 4.37Å
475H97.8Very high95.4Very high23 Ų2350.9 Ų50.911%0.10625%0.247CC..EExtended strand (participates in β ladder)trans-137.4114.1-172.5-176.5-171.4000110.9L473 R477 R487 V488 S489 E626 V627L473-H475 HydrophobicContact CD1-CB 4.44Å; L473-H475 HydrophobicContact CG-CB 4.33Å; H475-R477 PolarHBondContact NE2-NE 3.2Å; H475-R487 CarbonylContact O-C 3.59Å; H475-V488 HydrophobicContact CB-CB 4.18Å; H475-V488 PolarHBondContact O-N 2.88Å; H475-S489 PolarHBondContact N-OG 3.05Å; H475-S489 PolarHBondContact O-N 2.94Å; H475-S489 PolarHBondContact O-OG 3.23Å; H475-E626 IonicContact CD2-OE1 3.4Å; H475-E626 IonicContact CE1-OE1 2.75Å; H475-E626 PolarHBondContact CE1-OE1 2.97Å; H475-E626 IonicContact NE2-OE1 2.79Å; H475-E626 PolarHBondContact NE2-OE1 3.34Å; H475-V627 WeakPolarHBondContact CA-O 3.12Å
476V97.6Very high95.5Very high1 Ų150.5 Ų50.51%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-125139-178179.30000110F462 L474 Y485 R487 F536 E626 V627F462-V476 HydrophobicContact CD1-CG2 3.89Å; F462-V476 HydrophobicContact CE1-CB 4.47Å; F462-V476 HydrophobicContact CE1-CG1 4.05Å; F462-V476 HydrophobicContact CE1-CG2 3.61Å; F462-V476 HydrophobicContact CZ-CG1 3.88Å; F462-V476 HydrophobicContact CZ-CG2 4.16Å; L474-V476 HydrophobicContact CD2-CG2 3.82Å; V476-Y485 HydrophobicContact CG1-CD1 4.13Å; V476-R487 HydrophobicContact CG2-CG 4.16Å; V476-F536 HydrophobicContact CG2-CE1 4.41Å; V476-E626 CarbonylContact O-C 3.55Å; V476-E626 WeakPolarHBondContact O-CA 3.27Å; V476-V627 PolarHBondContact N-O 3.26Å; V476-V627 PolarHBondContact O-N 3.48Å
477R97.8Very high95.7Very high100 Ų10045.6 Ų45.638%0.37722%0.218SC..EExtended strand (participates in β ladder)trans-125.3150.6172.4-69178175.1167.3-0.8110.5H475 Y485 C486 V488 A623 F625 E626H475-R477 PolarHBondContact NE2-NE 3.2Å; R477-Y485 CarbonylContact O-C 3.47Å; R477-Y485 WeakPolarHBondContact O-CA 3.47Å; R477-C486 PolarHBondContact N-O 3.15Å; R477-C486 PolarHBondContact O-N 2.59Å; R477-V488 HydrophobicContact CG-CG2 4.12Å; R477-A623 HydrophobicContact CB-CB 4.19Å; R477-A623 HydrophobicContact CG-CB 4.25Å; R477-F625 CarbonylContact C-O 3.56Å; R477-F625 VanDerWaalsContact CA-O 3.32Å; R477-F625 WeakPolarHBondContact CA-O 3.44Å; R477-E626 HydrophobicContact CG-CB 4.13Å; R477-E626 HydrophobicContact CG-CG 3.83Å; R477-E626 IonicContact CZ-OE1 3.37Å; R477-E626 VanDerWaalsContact NE-CD 3.34Å; R477-E626 IonicContact NE-OE1 3.88Å; R477-E626 PolarHBondContact NE-OE1 3Å; R477-E626 IonicContact NE-OE2 3.76Å; R477-E626 IonicContact NH2-OE1 2.63Å; R477-E626 PolarHBondContact NH2-OE1 3.49Å
478Y97.8Very high95.8Very high1 Ų142.9 Ų42.90%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-125.1142.5167.6172.5-103.7000110.6A480 D483 Q484 Y485 W498 F614 S624 F625Y478-A480 HydrophobicContact CE1-CB 3.93Å; Y478-D483 PolarHBondContact OH-OD1 2.92Å; Y478-Q484 VanDerWaalsContact CD2-O 3.31Å; Y478-Q484 WeakPolarHBondContact CD2-O 3.29Å; Y478-Y485 AromaticContact CD2-CD1 3.97Å; Y478-Y485 HydrophobicContact CD2-CD1 3.97Å; Y478-Y485 AromaticContact CD2-CD2 3.78Å; Y478-Y485 HydrophobicContact CD2-CD2 3.78Å; Y478-Y485 AromaticContact CD2-CE1 3.84Å; Y478-Y485 HydrophobicContact CD2-CE1 3.84Å; Y478-Y485 AromaticContact CD2-CE2 3.64Å; Y478-Y485 HydrophobicContact CD2-CE2 3.64Å; Y478-Y485 AromaticContact CD2-CG 3.93Å; Y478-Y485 HydrophobicContact CD2-CG 3.93Å; Y478-Y485 AromaticContact CD2-CZ 3.66Å; Y478-Y485 HydrophobicContact CE2-CD2 4.39Å; Y478-Y485 HydrophobicContact CE2-CE2 4.07Å; Y478-Y485 HydrophobicContact CG-CD1 4.2Å; Y478-Y485 AromaticContact CG-CE1 3.94Å; Y478-Y485 HydrophobicContact CG-CE1 3.94Å; Y478-W498 HydrophobicContact CE2-CB 3.82Å; Y478-W498 VanDerWaalsContact OH-CB 3.23Å; Y478-W498 WeakPolarHBondContact OH-CB 3.27Å; Y478-F614 AromaticContact CD1-CD2 3.95Å; Y478-F614 HydrophobicContact CD1-CD2 3.95Å; Y478-F614 HydrophobicContact CD1-CE2 4.1Å; Y478-F614 HydrophobicContact CD1-CG 4.49Å; Y478-F614 AromaticContact CE1-CD2 3.76Å; Y478-F614 HydrophobicContact CE1-CD2 3.76Å; Y478-F614 HydrophobicContact CE1-CE2 4.21Å; Y478-F614 HydrophobicContact CE1-CG 4.45Å; Y478-S624 PolarHBondContact O-N 3.36Å; Y478-F625 PolarHBondContact N-O 3.31Å; Y478-F625 PolarHBondContact O-N 2.89Å
479S96.4Very high95.7Very high13 Ų1343.9 Ų43.99%0.09122%0.216CC..EExtended strand (participates in β ladder)trans-121.2113.6176.1177.90000109.9D483 Q484S479-D483 WeakPolarHBondContact O-CA 3.38Å; S479-D483 PolarHBondContact O-N 2.99Å; S479-Q484 PolarHBondContact N-O 3.18Å; S479-Q484 PolarHBondContact O-N 3.34Å
480A95.3Very high95.6Very high1 Ų141.1 Ų41.11%0.00821%0.206CC..THydrogen-bonded Turntrans-64.3-40.9177.500000113.6Y478 D483 R510 V519 F614 S624Y478-A480 HydrophobicContact CE1-CB 3.93Å; A480-D483 PolarHBondContact O-N 3.49Å; A480-R510 PolarHBondContact O-NE 2.76Å; A480-R510 PolarHBondContact O-NH2 3.24Å; A480-V519 HydrophobicContact CB-CG1 4.01Å; A480-V519 HydrophobicContact CB-CG2 4.36Å; A480-F614 HydrophobicContact CB-CB 3.85Å; A480-F614 WeakPolarHBondContact CB-O 3.48Å; A480-S624 WeakPolarHBondContact CB-OG 3.27Å; A480-S624 PolarHBondContact N-OG 2.93Å
481P93.9Very high95.4Very high20 Ų2036.7 Ų36.713%0.1320%0.198CC..THydrogen-bonded Turntrans-60.7-46.8175.7-28.537.5000113.4D483 V519 Q616 G617P481-D483 VanDerWaalsContact C-N 3.3Å; P481-V519 HydrophobicContact CB-CG1 4.45Å; P481-V519 HydrophobicContact CG-CG1 4.03Å; P481-Q616 HydrophobicContact CG-CB 4.02Å; P481-G617 VanDerWaalsContact CG-O 3.31Å; P481-G617 WeakPolarHBondContact CG-O 3.23Å
482K93.2Very high95.3Very high109 Ų10936.6 Ų36.647%0.47419%0.194SC..THydrogen-bonded Turntrans-79.3-15179.4-64.4-179.8-179.3173.70113.5Q484K482-Q484 HydrophobicContact CB-CG 3.79Å
483D95.5Very high95.1Very high26 Ų2637.3 Ų37.314%0.13920%0.201CC..THydrogen-bonded Turntrans51.653-174-1567.9000113Y478 S479 A480 P481 N497 W498 R510Y478-D483 PolarHBondContact OH-OD1 2.92Å; S479-D483 WeakPolarHBondContact O-CA 3.38Å; S479-D483 PolarHBondContact O-N 2.99Å; A480-D483 PolarHBondContact O-N 3.49Å; P481-D483 VanDerWaalsContact C-N 3.3Å; D483-N497 VanDerWaalsContact O-CA 3.23Å; D483-N497 WeakPolarHBondContact O-CA 3.13Å; D483-N497 PolarHBondContact O-N 3.37Å; D483-W498 WeakPolarHBondContact OD1-CB 3.34Å; D483-W498 PolarHBondContact OD1-N 3.22Å; D483-R510 VanDerWaalsContact CG-CD 3.43Å; D483-R510 WeakPolarHBondContact OD1-CD 3.49Å; D483-R510 IonicContact OD1-NE 3.96Å; D483-R510 VanDerWaalsContact OD2-CD 3.28Å; D483-R510 WeakPolarHBondContact OD2-CD 3.28Å; D483-R510 IonicContact OD2-CZ 3.86Å; D483-R510 IonicContact OD2-NE 2.68Å; D483-R510 PolarHBondContact OD2-NE 3.4Å; D483-R510 IonicContact OD2-NH1 3.11Å; D483-R510 PolarHBondContact OD2-NH1 3.28Å; D483-R510 VanDerWaalsContact OD2-NH1 3.1Å
484Q95.6Very high95Very high58 Ų5839 Ų3927%0.27121%0.209SC..EExtended strand (participates in β ladder)trans-150.9149.3-178.568.6-174.138.200111.9Y478 S479 K482 I494 I495Y478-Q484 VanDerWaalsContact CD2-O 3.31Å; Y478-Q484 WeakPolarHBondContact CD2-O 3.29Å; S479-Q484 PolarHBondContact N-O 3.18Å; S479-Q484 PolarHBondContact O-N 3.34Å; K482-Q484 HydrophobicContact CB-CG 3.79Å; Q484-I494 HydrophobicContact CB-CG2 4.03Å; Q484-I494 HydrophobicContact CG-CG2 4.2Å; Q484-I495 CarbonylContact C-O 3.45Å; Q484-I495 WeakPolarHBondContact CA-O 3.43Å
485Y97.2Very high94.7Very high1 Ų140.1 Ų40.10%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-89150165.4-62.2-98.5000110.1V476 R477 Y478 I494 I495 N497 W498 C501 W534V476-Y485 HydrophobicContact CG1-CD1 4.13Å; R477-Y485 CarbonylContact O-C 3.47Å; R477-Y485 WeakPolarHBondContact O-CA 3.47Å; Y478-Y485 AromaticContact CD2-CD1 3.97Å; Y478-Y485 HydrophobicContact CD2-CD1 3.97Å; Y478-Y485 AromaticContact CD2-CD2 3.78Å; Y478-Y485 HydrophobicContact CD2-CD2 3.78Å; Y478-Y485 AromaticContact CD2-CE1 3.84Å; Y478-Y485 HydrophobicContact CD2-CE1 3.84Å; Y478-Y485 AromaticContact CD2-CE2 3.64Å; Y478-Y485 HydrophobicContact CD2-CE2 3.64Å; Y478-Y485 AromaticContact CD2-CG 3.93Å; Y478-Y485 HydrophobicContact CD2-CG 3.93Å; Y478-Y485 AromaticContact CD2-CZ 3.66Å; Y478-Y485 HydrophobicContact CE2-CD2 4.39Å; Y478-Y485 HydrophobicContact CE2-CE2 4.07Å; Y478-Y485 HydrophobicContact CG-CD1 4.2Å; Y478-Y485 AromaticContact CG-CE1 3.94Å; Y478-Y485 HydrophobicContact CG-CE1 3.94Å; Y485-I494 WeakPolarHBondContact O-CA 3.36Å; Y485-I495 PolarHBondContact N-O 2.9Å; Y485-I495 PolarHBondContact O-N 2.94Å; Y485-N497 WeakPolarHBondContact CE2-O 3.31Å; Y485-W498 VanDerWaalsContact CE2-O 3.26Å; Y485-W498 WeakPolarHBondContact CE2-O 3.32Å; Y485-W498 PolarHBondContact OH-O 3.31Å; Y485-C501 HydrophobicContact CD1-CB 3.91Å; Y485-C501 HydrophobicContact CD2-CB 3.75Å; Y485-C501 VanDerWaalsContact CD2-SG 3.55Å; Y485-C501 HydrophobicContact CE1-CB 3.79Å; Y485-C501 HydrophobicContact CE2-CB 3.63Å; Y485-C501 HydrophobicContact CG-CB 3.9Å; Y485-W534 AromaticContact CE1-NE1 3.59Å; Y485-W534 AromaticContact CZ-NE1 3.63Å; Y485-W534 PolarHBondContact OH-NE1 3.04Å
486C96.4Very high94.1Very high29 Ų2942.6 Ų42.620%0.19623%0.233CC..EExtended strand (participates in β ladder)trans-126.4116169.61780000108.3R477 V488 E493 I494R477-C486 PolarHBondContact N-O 3.15Å; R477-C486 PolarHBondContact O-N 2.59Å; C486-V488 PolarHBondContact O-N 3.32Å; C486-E493 CarbonylContact C-O 3.53Å; C486-E493 WeakPolarHBondContact CA-O 3.37Å; C486-I494 HydrophobicContact CB-CD1 3.79Å
487R96.4Very high93.7Very high17 Ų1746 Ų466%0.06425%0.251CS..EExtended strand (participates in β ladder)trans-87.582.3174.1-167.3172.8-173.5164.34.9108.7T463 E468 H475 V476 S489 S490 S492 E493T463-R487 PolarHBondContact O-NH2 3.18Å; E468-R487 IonicContact OE1-CZ 2.68Å; E468-R487 IonicContact OE1-NE 3.61Å; E468-R487 PolarHBondContact OE1-NE 3.07Å; E468-R487 IonicContact OE1-NH2 2.84Å; E468-R487 PolarHBondContact OE1-NH2 3.41Å; E468-R487 IonicContact OE2-CZ 3.42Å; E468-R487 IonicContact OE2-NE 3.32Å; E468-R487 IonicContact OE2-NH2 3.14Å; E468-R487 PolarHBondContact OE2-NH2 3.35Å; H475-R487 CarbonylContact O-C 3.59Å; V476-R487 HydrophobicContact CG2-CG 4.16Å; R487-S489 PolarHBondContact O-N 2.8Å; R487-S490 CarbonylContact O-C 3.49Å; R487-S490 PolarHBondContact O-N 2.89Å; R487-S492 WeakPolarHBondContact O-CA 3.47Å; R487-S492 PolarHBondContact O-N 3.35Å; R487-E493 HydrophobicContact CB-CB 4.29Å; R487-E493 PolarHBondContact N-O 2.87Å; R487-E493 PolarHBondContact O-N 3Å
488V95.1Very high93.5Very high44 Ų4441.9 Ų41.927%0.26724%0.236SC..THydrogen-bonded Turntrans-54.8-39.8-172.6-177.70000111.8H475 R477 C486 S490H475-V488 HydrophobicContact CB-CB 4.18Å; H475-V488 PolarHBondContact O-N 2.88Å; R477-V488 HydrophobicContact CG-CG2 4.12Å; C486-V488 PolarHBondContact O-N 3.32Å; V488-S490 VanDerWaalsContact C-N 3.26Å; V488-S490 PolarHBondContact O-N 3.14Å
489S92.9Very high93.2Very high21 Ų2142.6 Ų42.615%0.14724%0.24CC..THydrogen-bonded Turntrans-75.3-7-179.751.10000115.3E468 L473 H475 R487E468-S489 PolarHBondContact OE1-OG 2.75Å; L473-S489 WeakPolarHBondContact O-CB 3.48Å; H475-S489 PolarHBondContact N-OG 3.05Å; H475-S489 PolarHBondContact O-N 2.94Å; H475-S489 PolarHBondContact O-OG 3.23Å; R487-S489 PolarHBondContact O-N 2.8Å
490S91.5Very high92.8Very high16 Ų1646.2 Ų46.211%0.11226%0.255CS..THydrogen-bonded Turntrans-123.668.2179.7-171.80000109.3R487 V488 S492 E493R487-S490 CarbonylContact O-C 3.49Å; R487-S490 PolarHBondContact O-N 2.89Å; V488-S490 VanDerWaalsContact C-N 3.26Å; V488-S490 PolarHBondContact O-N 3.14Å; S490-S492 PolarHBondContact O-N 2.98Å; S490-E493 WeakPolarHBondContact O-CB 3.33Å; S490-E493 PolarHBondContact O-N 2.63Å
491S88.4Confident92.8Very high97 Ų9746.2 Ų46.268%0.67826%0.255SS*.THydrogen-bonded Turntrans53.427.8180-64.70000115.2E467 E493E467-S491 PolarHBondContact OE2-N 2.98Å; E467-S491 PolarHBondContact OE2-OG 3.37Å; E467-S491 VanDerWaalsContact OE2-OG 3.13Å; S491-E493 VanDerWaalsContact C-N 3.27Å; S491-E493 PolarHBondContact O-N 3.2Å
492S91.4Very high92.8Very high65 Ų6545.5 Ų45.546%0.45525%0.25SS..THydrogen-bonded Turntrans55.238.7-175.4-58.80000113.9R487 S490 I494R487-S492 WeakPolarHBondContact O-CA 3.47Å; R487-S492 PolarHBondContact O-N 3.35Å; S490-S492 PolarHBondContact O-N 2.98Å; S492-I494 PolarHBondContact O-N 3.47Å
493E92.4Very high92.8Very high94 Ų9444 Ų4444%0.43924%0.242SC..EExtended strand (participates in β ladder)trans-52.8131.4174.2-178.7-174.9-168.800111.2C486 R487 S490 S491 I495C486-E493 CarbonylContact C-O 3.53Å; C486-E493 WeakPolarHBondContact CA-O 3.37Å; R487-E493 HydrophobicContact CB-CB 4.29Å; R487-E493 PolarHBondContact N-O 2.87Å; R487-E493 PolarHBondContact O-N 3Å; S490-E493 WeakPolarHBondContact O-CB 3.33Å; S490-E493 PolarHBondContact O-N 2.63Å; S491-E493 VanDerWaalsContact C-N 3.27Å; S491-E493 PolarHBondContact O-N 3.2Å; E493-I495 HydrophobicContact CG-CG1 4.46Å
494I94.2Very high92.6Very high84 Ų8446.1 Ų46.143%0.43126%0.256SS..EExtended strand (participates in β ladder)trans-102.2124.4179.8-58.1-57000109.8Q484 Y485 C486 S492Q484-I494 HydrophobicContact CB-CG2 4.03Å; Q484-I494 HydrophobicContact CG-CG2 4.2Å; Y485-I494 WeakPolarHBondContact O-CA 3.36Å; C486-I494 HydrophobicContact CB-CD1 3.79Å; S492-I494 PolarHBondContact O-N 3.47Å
495I90.8Very high92.4Very high22 Ų2245.4 Ų45.411%0.11325%0.252CS..EExtended strand (participates in β ladder)trans-114.4113.6176-52.7168.5000107.6F460 Q484 Y485 E493 Q500 C501F460-I495 HydrophobicContact CZ-CD1 4.44Å; Q484-I495 CarbonylContact C-O 3.45Å; Q484-I495 WeakPolarHBondContact CA-O 3.43Å; Y485-I495 PolarHBondContact N-O 2.9Å; Y485-I495 PolarHBondContact O-N 2.94Å; E493-I495 HydrophobicContact CG-CG1 4.46Å; I495-Q500 HydrophobicContact CG2-CB 3.73Å; I495-Q500 HydrophobicContact CG2-CG 4.48Å; I495-C501 VanDerWaalsContact CD1-SG 3.57Å
496P86.3Confident92.1Very high76 Ų7650 Ų5049%0.49427%0.274SS..EExtended strand (participates in β ladder)trans-72.6157.9-175.230.7-35.4000111.7Q500P496-Q500 WeakPolarHBondContact O-CB 3.48Å; P496-Q500 WeakPolarHBondContact O-CG 3.38Å
497N89.5Confident91.9Very high72 Ų7251 Ų5139%0.38528%0.28SS..SBendtrans66.1137.8176.7-44.6-53.5000115.4D483 Y485 D499 Q500D483-N497 VanDerWaalsContact O-CA 3.23Å; D483-N497 WeakPolarHBondContact O-CA 3.13Å; D483-N497 PolarHBondContact O-N 3.37Å; Y485-N497 WeakPolarHBondContact CE2-O 3.31Å; N497-D499 PolarHBondContact O-N 3.23Å; N497-D499 VanDerWaalsContact O-N 3.12Å; N497-Q500 HydrophobicContact CB-CG 4.18Å; N497-Q500 PolarHBondContact O-N 2.78Å
498W92.9Very high91.7Very high13 Ų1350.8 Ų50.85%0.04928%0.281CS..THydrogen-bonded Turntrans-57.5-27.3-179.872.4-85.4000114.8Y478 D483 Y485 V502 K505 V508 R510 I521 I532Y478-W498 HydrophobicContact CE2-CB 3.82Å; Y478-W498 VanDerWaalsContact OH-CB 3.23Å; Y478-W498 WeakPolarHBondContact OH-CB 3.27Å; D483-W498 WeakPolarHBondContact OD1-CB 3.34Å; D483-W498 PolarHBondContact OD1-N 3.22Å; Y485-W498 VanDerWaalsContact CE2-O 3.26Å; Y485-W498 WeakPolarHBondContact CE2-O 3.32Å; Y485-W498 PolarHBondContact OH-O 3.31Å; W498-V502 HydrophobicContact CE3-CG2 4.3Å; W498-V502 HydrophobicContact CZ3-CG2 4.48Å; W498-V502 VanDerWaalsContact O-CG2 3.3Å; W498-V502 WeakPolarHBondContact O-CG2 3.4Å; W498-K505 HydrophobicContact CH2-CD 3.62Å; W498-K505 HydrophobicContact CZ3-CD 3.85Å; W498-V508 HydrophobicContact CH2-CG2 4.03Å; W498-V508 HydrophobicContact CZ3-CG2 4.2Å; W498-R510 HydrophobicContact CD2-CB 4.48Å; W498-R510 HydrophobicContact CG-CB 4.12Å; W498-I521 HydrophobicContact CB-CD1 4.17Å; W498-I521 HydrophobicContact CD2-CD1 4.04Å; W498-I521 HydrophobicContact CE3-CD1 3.78Å; W498-I521 HydrophobicContact CG-CD1 4.24Å; W498-I521 HydrophobicContact CZ3-CD1 4.49Å; W498-I532 HydrophobicContact CE3-CD1 3.86Å; W498-I532 HydrophobicContact CZ3-CD1 3.63Å
499D90.7Very high91.5Very high17 Ų1751.9 Ų51.99%0.09128%0.282CS..THydrogen-bonded Turntrans-94.4-5.6-173.557.8-12.1000115.2R451 N497 K505R451-D499 IonicContact CZ-OD2 2.87Å; R451-D499 IonicContact NH1-OD2 2.91Å; R451-D499 PolarHBondContact NH1-OD2 3.48Å; R451-D499 IonicContact NH2-OD2 3.62Å; N497-D499 PolarHBondContact O-N 3.23Å; N497-D499 VanDerWaalsContact O-N 3.12Å; D499-K505 HydrophobicContact CB-CD 4.44Å; D499-K505 IonicContact OD2-NZ 2.72Å; D499-K505 PolarHBondContact OD2-NZ 2.77Å
500Q89.8Confident91.5Very high89 Ų8953.5 Ų53.542%0.41629%0.285SS..THydrogen-bonded Turntrans-72-29.6-179.1-69.2-62.5-45.700113.8F460 I495 P496 N497F460-Q500 WeakPolarHBondContact CB-O 3.45Å; F460-Q500 VanDerWaalsContact CD2-O 3.3Å; F460-Q500 WeakPolarHBondContact CD2-O 3.46Å; F460-Q500 WeakPolarHBondContact CG-O 3.41Å; I495-Q500 HydrophobicContact CG2-CB 3.73Å; I495-Q500 HydrophobicContact CG2-CG 4.48Å; P496-Q500 WeakPolarHBondContact O-CB 3.48Å; P496-Q500 WeakPolarHBondContact O-CG 3.38Å; N497-Q500 HydrophobicContact CB-CG 4.18Å; N497-Q500 PolarHBondContact O-N 2.78Å
501C93.8Very high91.4Very high0 Ų056 Ų560%029%0.294CS..THydrogen-bonded Turntrans-102.713.3-178.8-64.90000113.6F460 F462 Y485 I495F460-C501 HydrophobicContact CD1-CB 4.14Å; F460-C501 HydrophobicContact CE1-CB 4.41Å; F462-C501 HydrophobicContact CE2-CB 3.94Å; F462-C501 HydrophobicContact CZ-CB 3.6Å; Y485-C501 HydrophobicContact CD1-CB 3.91Å; Y485-C501 HydrophobicContact CD2-CB 3.75Å; Y485-C501 VanDerWaalsContact CD2-SG 3.55Å; Y485-C501 HydrophobicContact CE1-CB 3.79Å; Y485-C501 HydrophobicContact CE2-CB 3.63Å; Y485-C501 HydrophobicContact CG-CB 3.9Å; I495-C501 VanDerWaalsContact CD1-SG 3.57Å
502V94.9Very high91.4Very high6 Ų653.8 Ų53.84%0.03628%0.276CS..  trans-88.4133.6-175.6171.50000110.4F460 W498 T504 K505 I532F460-V502 PolarHBondContact N-O 2.91Å; F460-V502 VanDerWaalsContact N-O 3.07Å; W498-V502 HydrophobicContact CE3-CG2 4.3Å; W498-V502 HydrophobicContact CZ3-CG2 4.48Å; W498-V502 VanDerWaalsContact O-CG2 3.3Å; W498-V502 WeakPolarHBondContact O-CG2 3.4Å; V502-T504 WeakPolarHBondContact CG1-O 3.27Å; V502-K505 HydrophobicContact CG1-CB 3.95Å; V502-K505 HydrophobicContact CG1-CD 4.46Å; V502-K505 HydrophobicContact CG1-CG 4.25Å; V502-I532 HydrophobicContact CG1-CG1 3.95Å; V502-I532 HydrophobicContact CG2-CD1 3.94Å; V502-I532 HydrophobicContact CG2-CG1 4.12Å
503W93.6Very high90.8Very high76 Ų7652.1 Ų52.129%0.28826%0.262SS..SBendtrans-77-54.8174.1171.7-115.3000111.3A459 V461 S533 K535A459-W503 HydrophobicContact CB-CD2 3.91Å; A459-W503 HydrophobicContact CB-CE3 3.26Å; A459-W503 HydrophobicContact CB-CH2 3.87Å; A459-W503 HydrophobicContact CB-CZ2 4.45Å; A459-W503 HydrophobicContact CB-CZ3 3.22Å; A459-W503 WeakPolarHBondContact CB-O 3.49Å; A459-W503 WeakPolarHBondContact O-CZ3 3.36Å; V461-W503 HydrophobicContact CG2-CD2 4.41Å; V461-W503 HydrophobicContact CG2-CE3 3.3Å; V461-W503 HydrophobicContact CG2-CH2 4.17Å; V461-W503 HydrophobicContact CG2-CZ3 3.15Å; W503-S533 WeakPolarHBondContact CB-O 3.41Å; W503-S533 PolarHBondContact N-O 3.01Å; W503-K535 HydrophobicContact CB-CB 3.62Å; W503-K535 HydrophobicContact CD2-CB 3.77Å; W503-K535 HydrophobicContact CD2-CD 3.66Å; W503-K535 HydrophobicContact CD2-CG 4.34Å; W503-K535 HydrophobicContact CE3-CB 4.16Å; W503-K535 HydrophobicContact CE3-CD 3.96Å; W503-K535 HydrophobicContact CG-CB 3.49Å; W503-K535 VanDerWaalsContact CG-CB 3.49Å; W503-K535 HydrophobicContact CG-CD 4.14Å; W503-K535 HydrophobicContact CG-CG 4.45Å; W503-K535 HydrophobicContact CH2-CD 4.23Å; W503-K535 HydrophobicContact CZ2-CD 3.91Å; W503-K535 HydrophobicContact CZ3-CD 4.25Å
504T90.3Very high89.9Confident71 Ų7151.4 Ų51.444%0.43626%0.261SS..EExtended strand (participates in β ladder)trans-138147.4173.965.80000110.2V502 I532 S533V502-T504 WeakPolarHBondContact CG1-O 3.27Å; T504-I532 CarbonylContact O-C 3.44Å; T504-I532 WeakPolarHBondContact O-CA 3.25Å; T504-S533 PolarHBondContact N-O 3.12Å; T504-S533 PolarHBondContact N-OG 3.14Å; T504-S533 PolarHBondContact O-N 3.16Å; T504-S533 PolarHBondContact OG1-OG 2.82Å
505K92.1Very high88.5Confident44 Ų4453.6 Ų53.619%0.19127%0.273CS..EExtended strand (participates in β ladder)trans-144.9147.1170.757.5179.9-175.4-173.60109.7W498 D499 V502 V508 R531 I532W498-K505 HydrophobicContact CH2-CD 3.62Å; W498-K505 HydrophobicContact CZ3-CD 3.85Å; D499-K505 HydrophobicContact CB-CD 4.44Å; D499-K505 IonicContact OD2-NZ 2.72Å; D499-K505 PolarHBondContact OD2-NZ 2.77Å; V502-K505 HydrophobicContact CG1-CB 3.95Å; V502-K505 HydrophobicContact CG1-CD 4.46Å; V502-K505 HydrophobicContact CG1-CG 4.25Å; K505-V508 HydrophobicContact CB-CG2 3.8Å; K505-R531 CarbonylContact C-O 3.58Å; K505-R531 VanDerWaalsContact CA-O 3.24Å; K505-R531 WeakPolarHBondContact CA-O 3.37Å; K505-I532 HydrophobicContact CB-CG1 4.46Å
506E90.8Very high87.8Confident98 Ų9861.5 Ų61.546%0.45830%0.302SS..EExtended strand (participates in β ladder)trans-143.8125178-176.8-172.1-170.300107.7V508 G530 R531E506-V508 VanDerWaalsContact C-N 3.29Å; E506-V508 PolarHBondContact O-N 3.49Å; E506-V508 VanDerWaalsContact O-N 3.17Å; E506-G530 CarbonylContact O-C 3.47Å; E506-G530 VanDerWaalsContact O-CA 3.3Å; E506-G530 WeakPolarHBondContact O-CA 3.2Å; E506-R531 HydrophobicContact CB-CB 4.23Å; E506-R531 PolarHBondContact N-O 2.78Å; E506-R531 PolarHBondContact O-N 3.41Å; E506-R531 IonicContact OE2-CZ 3.05Å; E506-R531 IonicContact OE2-NH1 3.25Å; E506-R531 PolarHBondContact OE2-NH1 3.2Å
507S91.4Very high87.9Confident48 Ų4864.1 Ų64.134%0.33631%0.305SS..SBendtrans51.842171.9-56.10000114.8R523 T524 V529S507-R523 CarbonylContact O-C 3.54Å; S507-R523 VanDerWaalsContact O-CA 3.3Å; S507-R523 WeakPolarHBondContact O-CA 3.43Å; S507-T524 PolarHBondContact O-N 2.92Å; S507-T524 PolarHBondContact O-OG1 2.82Å; S507-V529 WeakPolarHBondContact CB-O 3.41Å
508V92.1Very high87.9Confident14 Ų1462.3 Ų62.39%0.08530%0.295CS..EExtended strand (participates in β ladder)trans-131149.4175.4-68.30000111.6W498 K505 E506 I521 A522 T524 R531 I532 L599W498-V508 HydrophobicContact CH2-CG2 4.03Å; W498-V508 HydrophobicContact CZ3-CG2 4.2Å; K505-V508 HydrophobicContact CB-CG2 3.8Å; E506-V508 VanDerWaalsContact C-N 3.29Å; E506-V508 PolarHBondContact O-N 3.49Å; E506-V508 VanDerWaalsContact O-N 3.17Å; V508-I521 HydrophobicContact CB-CG2 4.11Å; V508-A522 CarbonylContact C-O 3.59Å; V508-A522 VanDerWaalsContact CA-O 3.25Å; V508-A522 WeakPolarHBondContact CA-O 3.36Å; V508-T524 PolarHBondContact N-OG1 3.02Å; V508-R531 WeakPolarHBondContact CG2-O 3.33Å; V508-I532 HydrophobicContact CG2-CB 4.3Å; V508-L599 HydrophobicContact CG1-CD1 4.05Å
509F91.1Very high88Confident66 Ų6661.7 Ų61.729%0.28929%0.292SS..EExtended strand (participates in β ladder)trans-150.4157.3174.580.7-74.1000112.3K511 I521 A522 R523 W608F509-K511 HydrophobicContact CE2-CB 3.86Å; F509-K511 HydrophobicContact CE2-CD 4.09Å; F509-K511 HydrophobicContact CZ-CB 4.14Å; F509-K511 HydrophobicContact CZ-CD 4.3Å; F509-I521 WeakPolarHBondContact O-CA 3.22Å; F509-A522 PolarHBondContact N-O 3.18Å; F509-A522 PolarHBondContact O-N 2.78Å; F509-R523 WeakPolarHBondContact CE1-O 3.33Å; F509-W608 AromaticContact CE1-CE3 3.69Å; F509-W608 HydrophobicContact CE1-CE3 3.69Å; F509-W608 HydrophobicContact CE1-CH2 4.4Å; F509-W608 AromaticContact CE1-CZ3 3.54Å; F509-W608 HydrophobicContact CE1-CZ3 3.54Å; F509-W608 AromaticContact CZ-CE3 3.98Å; F509-W608 HydrophobicContact CZ-CE3 3.98Å; F509-W608 AromaticContact CZ-CH2 3.84Å; F509-W608 HydrophobicContact CZ-CH2 3.84Å; F509-W608 AromaticContact CZ-CZ3 3.34Å; F509-W608 HydrophobicContact CZ-CZ3 3.34Å
510R94.1Very high88.3Confident55 Ų5560.9 Ų60.921%0.20829%0.288CS..EExtended strand (participates in β ladder)trans-83124.4172.6-177.2174.7173.4-88.4-2.5110.4A480 D483 W498 V519 Y520 I521A480-R510 PolarHBondContact O-NE 2.76Å; A480-R510 PolarHBondContact O-NH2 3.24Å; D483-R510 VanDerWaalsContact CG-CD 3.43Å; D483-R510 WeakPolarHBondContact OD1-CD 3.49Å; D483-R510 IonicContact OD1-NE 3.96Å; D483-R510 VanDerWaalsContact OD2-CD 3.28Å; D483-R510 WeakPolarHBondContact OD2-CD 3.28Å; D483-R510 IonicContact OD2-CZ 3.86Å; D483-R510 IonicContact OD2-NE 2.68Å; D483-R510 PolarHBondContact OD2-NE 3.4Å; D483-R510 IonicContact OD2-NH1 3.11Å; D483-R510 PolarHBondContact OD2-NH1 3.28Å; D483-R510 VanDerWaalsContact OD2-NH1 3.1Å; W498-R510 HydrophobicContact CD2-CB 4.48Å; W498-R510 HydrophobicContact CG-CB 4.12Å; R510-V519 HydrophobicContact CG-CG2 4.1Å; R510-Y520 CarbonylContact C-O 3.54Å; R510-Y520 WeakPolarHBondContact CA-O 2.75Å; R510-I521 HydrophobicContact CB-CG1 4.26Å
511K88.9Confident88.7Confident70 Ų7056.6 Ų56.630%0.30427%0.268SS..EExtended strand (participates in β ladder)trans-109.1137178.3176.664.5177.4-171.70110F509 E513 V519 Y520 W608F509-K511 HydrophobicContact CE2-CB 3.86Å; F509-K511 HydrophobicContact CE2-CD 4.09Å; F509-K511 HydrophobicContact CZ-CB 4.14Å; F509-K511 HydrophobicContact CZ-CD 4.3Å; K511-E513 HydrophobicContact CG-CG 4.48Å; K511-V519 WeakPolarHBondContact O-CA 3.31Å; K511-Y520 HydrophobicContact CB-CD2 4.02Å; K511-Y520 HydrophobicContact CB-CE2 3.62Å; K511-Y520 HydrophobicContact CG-CE1 4.4Å; K511-Y520 HydrophobicContact CG-CE2 3.72Å; K511-Y520 PolarHBondContact N-O 3.49Å; K511-Y520 PolarHBondContact O-N 3.06Å; K511-Y520 VanDerWaalsContact O-N 3.08Å; K511-W608 HydrophobicContact CD-CH2 4.21Å; K511-W608 HydrophobicContact CG-CH2 4.35Å; K511-W608 HydrophobicContact CG-CZ3 4.49Å
512V87.6Confident88.7Confident50 Ų5056.6 Ų56.630%0.30327%0.268SS..EExtended strand (participates in β ladder)trans-116.3124.9169-1790000108.4V519 L618V512-V519 HydrophobicContact CG2-CG2 4.16Å; V512-L618 HydrophobicContact CG1-CD1 4.27Å; V512-L618 HydrophobicContact CG1-CD2 4.14Å
513E79.8Confident88.7Confident30 Ų3056.5 Ų56.514%0.1427%0.267CS..EExtended strand (participates in β ladder)trans-100.8101.3172.8-68.8177.3163.700108.7K511 W516 K517 M518 Y520 R615K511-E513 HydrophobicContact CG-CG 4.48Å; E513-W516 HydrophobicContact CB-CB 4.22Å; E513-K517 VanDerWaalsContact O-CA 3.29Å; E513-K517 WeakPolarHBondContact O-CA 3.28Å; E513-K517 PolarHBondContact O-N 2.86Å; E513-M518 HydrophobicContact CB-CB 4.33Å; E513-M518 PolarHBondContact N-O 3.17Å; E513-M518 PolarHBondContact O-N 3.31Å; E513-M518 VanDerWaalsContact O-N 3.08Å; E513-Y520 VanDerWaalsContact CD-CE1 3.46Å; E513-Y520 VanDerWaalsContact CD-OH 3.24Å; E513-Y520 HydrophobicContact CG-CE1 3.91Å; E513-Y520 WeakPolarHBondContact OE1-CE1 3.31Å; E513-Y520 PolarHBondContact OE1-OH 3.22Å; E513-R615 IonicContact OE2-NH1 2.8Å; E513-R615 IonicContact OE2-NH2 3.34Å
514N73.2Confident88.1Confident79 Ų7955.8 Ų55.842%0.42227%0.271SS..THydrogen-bonded Turntrans-67.9-37.8-178.2-68-34.9000112.3W516 K517N514-W516 VanDerWaalsContact C-N 3.3Å; N514-W516 PolarHBondContact O-N 2.86Å; N514-K517 PolarHBondContact O-N 2.82Å
515D63.8Low87.5Confident129 Ų12958.8 Ų58.869%0.6928%0.28SS*.THydrogen-bonded Turntrans-64.6-37.3-178.3-54.3-31.8000111.6
516W77.1Confident86.8Confident189 Ų18960.2 Ų60.272%0.71631%0.308SS*.THydrogen-bonded Turntrans-98.3-5.6-178.7-54.2107.9000113.5E513 N514 M518E513-W516 HydrophobicContact CB-CB 4.22Å; N514-W516 VanDerWaalsContact C-N 3.3Å; N514-W516 PolarHBondContact O-N 2.86Å; W516-M518 VanDerWaalsContact C-N 3.26Å; W516-M518 HydrophobicContact CB-CG 4.02Å; W516-M518 WeakPolarHBondContact O-CG 3.36Å; W516-M518 PolarHBondContact O-N 3.28Å
517K87.4Confident86.3Confident130 Ų13056.5 Ų56.557%0.56529%0.293SS*.THydrogen-bonded Turntrans51.343.1-172.5-58.3-176.5178-179.50112.9E513 N514 G617 L618E513-K517 VanDerWaalsContact O-CA 3.29Å; E513-K517 WeakPolarHBondContact O-CA 3.28Å; E513-K517 PolarHBondContact O-N 2.86Å; N514-K517 PolarHBondContact O-N 2.82Å; K517-G617 CarbonylContact O-C 3.45Å; K517-G617 WeakPolarHBondContact O-CA 3.32Å; K517-L618 HydrophobicContact CB-CD1 4.19Å; K517-L618 HydrophobicContact CB-CG 4.47Å; K517-L618 PolarHBondContact O-N 3.11Å
518M90.8Very high86.1Confident34 Ų3459.7 Ų59.717%0.16731%0.31CS..EExtended strand (participates in β ladder)trans-115.7150.8-179.2-63.7-60.7-63.900111.6E513 W516 R615 Q616E513-M518 HydrophobicContact CB-CB 4.33Å; E513-M518 PolarHBondContact N-O 3.17Å; E513-M518 PolarHBondContact O-N 3.31Å; E513-M518 VanDerWaalsContact O-N 3.08Å; W516-M518 VanDerWaalsContact C-N 3.26Å; W516-M518 HydrophobicContact CB-CG 4.02Å; W516-M518 WeakPolarHBondContact O-CG 3.36Å; W516-M518 PolarHBondContact O-N 3.28Å; M518-R615 HydrophobicContact CE-CG 3.48Å; M518-R615 VanDerWaalsContact CE-CG 3.48Å; M518-Q616 WeakPolarHBondContact CA-O 3.3Å; M518-Q616 WeakPolarHBondContact CE-O 3.26Å
519V94.6Very high86.1Confident0 Ų060.7 Ų60.70%032%0.316CS..EExtended strand (participates in β ladder)trans-133.4144.5172.859.60000110.3A480 P481 R510 K511 V512 R615 Q616 L618A480-V519 HydrophobicContact CB-CG1 4.01Å; A480-V519 HydrophobicContact CB-CG2 4.36Å; P481-V519 HydrophobicContact CB-CG1 4.45Å; P481-V519 HydrophobicContact CG-CG1 4.03Å; R510-V519 HydrophobicContact CG-CG2 4.1Å; K511-V519 WeakPolarHBondContact O-CA 3.31Å; V512-V519 HydrophobicContact CG2-CG2 4.16Å; V519-R615 VanDerWaalsContact O-CA 3.3Å; V519-R615 WeakPolarHBondContact O-CA 3.36Å; V519-Q616 WeakPolarHBondContact CG1-O 3.49Å; V519-Q616 PolarHBondContact N-O 3.29Å; V519-Q616 PolarHBondContact O-N 3.48Å; V519-L618 HydrophobicContact CB-CD2 4.05Å; V519-L618 HydrophobicContact CG1-CD2 4.23Å
520Y97.1Very high86.3Confident0 Ų057.6 Ų57.60%030%0.303CS..EExtended strand (participates in β ladder)trans-163.3168.4175.645.9-91.2000111.3R510 K511 E513 A522 Q612 L613 R615R510-Y520 CarbonylContact C-O 3.54Å; R510-Y520 WeakPolarHBondContact CA-O 2.75Å; K511-Y520 HydrophobicContact CB-CD2 4.02Å; K511-Y520 HydrophobicContact CB-CE2 3.62Å; K511-Y520 HydrophobicContact CG-CE1 4.4Å; K511-Y520 HydrophobicContact CG-CE2 3.72Å; K511-Y520 PolarHBondContact N-O 3.49Å; K511-Y520 PolarHBondContact O-N 3.06Å; K511-Y520 VanDerWaalsContact O-N 3.08Å; E513-Y520 VanDerWaalsContact CD-CE1 3.46Å; E513-Y520 VanDerWaalsContact CD-OH 3.24Å; E513-Y520 HydrophobicContact CG-CE1 3.91Å; E513-Y520 WeakPolarHBondContact OE1-CE1 3.31Å; E513-Y520 PolarHBondContact OE1-OH 3.22Å; Y520-A522 HydrophobicContact CD2-CB 3.86Å; Y520-A522 HydrophobicContact CE2-CB 3.88Å; Y520-Q612 HydrophobicContact CD2-CB 4.07Å; Y520-Q612 HydrophobicContact CD2-CG 3.72Å; Y520-Q612 HydrophobicContact CE2-CG 4.01Å; Y520-Q612 HydrophobicContact CG-CB 4.1Å; Y520-Q612 HydrophobicContact CG-CG 4.07Å; Y520-L613 CarbonylContact C-O 3.58Å; Y520-L613 WeakPolarHBondContact CA-O 3.32Å; Y520-L613 WeakPolarHBondContact CB-O 3.18Å; Y520-R615 HydrophobicContact CD1-CG 4.26Å
521I97.6Very high86.5Confident0 Ų059.6 Ų59.60%031%0.31CS..EExtended strand (participates in β ladder)trans-100.4131164.7-61.7177000108.4W498 V508 F509 R510 I532 Q612 L613 F614W498-I521 HydrophobicContact CB-CD1 4.17Å; W498-I521 HydrophobicContact CD2-CD1 4.04Å; W498-I521 HydrophobicContact CE3-CD1 3.78Å; W498-I521 HydrophobicContact CG-CD1 4.24Å; W498-I521 HydrophobicContact CZ3-CD1 4.49Å; V508-I521 HydrophobicContact CB-CG2 4.11Å; F509-I521 WeakPolarHBondContact O-CA 3.22Å; R510-I521 HydrophobicContact CB-CG1 4.26Å; I521-I532 HydrophobicContact CD1-CD1 4.31Å; I521-Q612 CarbonylContact O-C 3.57Å; I521-Q612 WeakPolarHBondContact O-CA 3.3Å; I521-L613 HydrophobicContact CB-CB 4.21Å; I521-L613 PolarHBondContact N-O 2.81Å; I521-L613 PolarHBondContact O-N 3.5Å; I521-F614 HydrophobicContact CD1-CD2 3.75Å; I521-F614 HydrophobicContact CD1-CE2 3.88Å; I521-F614 HydrophobicContact CG1-CD2 4.24Å
522A95.1Very high86.9Confident0 Ų056.3 Ų56.30%030%0.296CS..EExtended strand (participates in β ladder)trans-132.8175.8-179.900000110.8V508 F509 Y520 W608V508-A522 CarbonylContact C-O 3.59Å; V508-A522 VanDerWaalsContact CA-O 3.25Å; V508-A522 WeakPolarHBondContact CA-O 3.36Å; F509-A522 PolarHBondContact N-O 3.18Å; F509-A522 PolarHBondContact O-N 2.78Å; Y520-A522 HydrophobicContact CD2-CB 3.86Å; Y520-A522 HydrophobicContact CE2-CB 3.88Å; A522-W608 HydrophobicContact CB-CE3 3.99Å; A522-W608 HydrophobicContact CB-CZ3 4.05Å
523R93.8Very high87.3Confident4 Ų454.2 Ų54.22%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-69.5149.6173.3-61.1-157.2-53.9-102.39.2110.7S507 F509 S527 L599 S600 G601 S607 W608 S611S507-R523 CarbonylContact O-C 3.54Å; S507-R523 VanDerWaalsContact O-CA 3.3Å; S507-R523 WeakPolarHBondContact O-CA 3.43Å; F509-R523 WeakPolarHBondContact CE1-O 3.33Å; R523-S527 PolarHBondContact NE-O 3.08Å; R523-S527 PolarHBondContact NH2-O 3.49Å; R523-L599 WeakPolarHBondContact CD-O 3.47Å; R523-L599 HydrophobicContact CG-CB 3.65Å; R523-L599 HydrophobicContact CG-CD2 4.2Å; R523-S600 PolarHBondContact NH1-O 3.2Å; R523-S600 VanDerWaalsContact NH1-O 3.12Å; R523-G601 VanDerWaalsContact CZ-O 3.23Å; R523-G601 PolarHBondContact NH1-O 3.4Å; R523-G601 PolarHBondContact NH2-O 2.95Å; R523-S607 PolarHBondContact NH2-O 3.43Å; R523-W608 HydrophobicContact CB-CB 4.2Å; R523-W608 PolarHBondContact N-O 3.28Å; R523-W608 VanDerWaalsContact O-CE3 3.24Å; R523-S611 PolarHBondContact NH1-OG 2.68Å
524T82.1Confident88.2Confident61 Ų6152.8 Ų52.837%0.37428%0.277SS..PPolyproline II helixtrans-61.1141.1167.6-54.50000109.9S507 V508 G526 S527S507-T524 PolarHBondContact O-N 2.92Å; S507-T524 PolarHBondContact O-OG1 2.82Å; V508-T524 PolarHBondContact N-OG1 3.02Å; T524-G526 PolarHBondContact O-N 3.45Å; T524-S527 WeakPolarHBondContact O-CB 3.41Å; T524-S527 PolarHBondContact O-N 3.18Å; T524-S527 PolarHBondContact O-OG 3.11Å; T524-S527 VanDerWaalsContact O-OG 3.11Å
525E76.6Confident89.3Confident133 Ų13350.9 Ų50.962%0.62127%0.265SS*.THydrogen-bonded Turntrans-55.7134.3178.6-173.8171.8-176.400111.4S527 W608E525-S527 VanDerWaalsContact C-N 3.3Å; E525-S527 PolarHBondContact O-N 3.43Å; E525-W608 HydrophobicContact CB-CD2 4.48Å; E525-W608 HydrophobicContact CB-CG 4.17Å; E525-W608 HydrophobicContact CG-CG 4.41Å
526G77.2Confident90.8Very high75 Ų7544.8 Ų44.877%0.77323%0.232SC*.THydrogen-bonded Turntrans82.2-7.8-175.300000115.6T524T524-G526 PolarHBondContact O-N 3.45Å
527S80.2Confident91.5Very high19 Ų1937.7 Ų37.713%0.13321%0.209CC..  trans-84.9138.8176.387.90000112.7R523 T524 E525 V529R523-S527 PolarHBondContact NE-O 3.08Å; R523-S527 PolarHBondContact NH2-O 3.49Å; T524-S527 WeakPolarHBondContact O-CB 3.41Å; T524-S527 PolarHBondContact O-N 3.18Å; T524-S527 PolarHBondContact O-OG 3.11Å; T524-S527 VanDerWaalsContact O-OG 3.11Å; E525-S527 VanDerWaalsContact C-N 3.3Å; E525-S527 PolarHBondContact O-N 3.43Å; S527-V529 PolarHBondContact OG-O 3.39Å
528T88.4Confident91.7Very high116 Ų11631.5 Ų31.571%0.71218%0.182SC*.SBendtrans-81.7-28.7177.552.80000112.3
529V92.3Very high91.6Very high35 Ų3532.5 Ų32.521%0.21220%0.195CC..  trans-137.4145.5179.5-177.20000109.7S507 S527 R531 E598 L599S507-V529 WeakPolarHBondContact CB-O 3.41Å; S527-V529 PolarHBondContact OG-O 3.39Å; V529-R531 HydrophobicContact CG1-CG 4.25Å; V529-E598 HydrophobicContact CG1-CG 3.71Å; V529-L599 CarbonylContact C-O 3.57Å; V529-L599 VanDerWaalsContact CA-O 3.31Å; V529-L599 WeakPolarHBondContact CA-O 3.38Å
530G95.2Very high91Very high0 Ų036.4 Ų36.40%022%0.223CC..EExtended strand (participates in β ladder)trans-131.2143.816900000110E506 E598 L599E506-G530 CarbonylContact O-C 3.47Å; E506-G530 VanDerWaalsContact O-CA 3.3Å; E506-G530 WeakPolarHBondContact O-CA 3.2Å; G530-E598 WeakPolarHBondContact O-CA 3.23Å; G530-L599 PolarHBondContact N-O 3.45Å; G530-L599 PolarHBondContact O-N 3.42Å
531R97.2Very high90.5Very high97 Ų9737.6 Ų37.637%0.36623%0.232SC..EExtended strand (participates in β ladder)trans-132.3145.7-179.1-62.3-176176.793.44111K505 E506 V508 V529 A597 E598K505-R531 CarbonylContact C-O 3.58Å; K505-R531 VanDerWaalsContact CA-O 3.24Å; K505-R531 WeakPolarHBondContact CA-O 3.37Å; E506-R531 HydrophobicContact CB-CB 4.23Å; E506-R531 PolarHBondContact N-O 2.78Å; E506-R531 PolarHBondContact O-N 3.41Å; E506-R531 IonicContact OE2-CZ 3.05Å; E506-R531 IonicContact OE2-NH1 3.25Å; E506-R531 PolarHBondContact OE2-NH1 3.2Å; V508-R531 WeakPolarHBondContact CG2-O 3.33Å; V529-R531 HydrophobicContact CG1-CG 4.25Å; R531-A597 WeakPolarHBondContact CA-O 3.49Å; R531-E598 HydrophobicContact CG-CG 4.2Å; R531-E598 IonicContact CZ-OE2 3.82Å; R531-E598 VanDerWaalsContact CZ-OE2 3.25Å; R531-E598 IonicContact NE-OE2 3.43Å; R531-E598 PolarHBondContact NE-OE2 2.97Å; R531-E598 IonicContact NH2-OE2 3.51Å; R531-E598 PolarHBondContact NH2-OE2 3.19Å
532I97.3Very high90.1Very high2 Ų239.4 Ų39.41%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-148.8142.5173.2-170.6172000109.7W498 V502 T504 K505 V508 I521 W534 A596 A597 L613W498-I532 HydrophobicContact CE3-CD1 3.86Å; W498-I532 HydrophobicContact CZ3-CD1 3.63Å; V502-I532 HydrophobicContact CG1-CG1 3.95Å; V502-I532 HydrophobicContact CG2-CD1 3.94Å; V502-I532 HydrophobicContact CG2-CG1 4.12Å; T504-I532 CarbonylContact O-C 3.44Å; T504-I532 WeakPolarHBondContact O-CA 3.25Å; K505-I532 HydrophobicContact CB-CG1 4.46Å; V508-I532 HydrophobicContact CG2-CB 4.3Å; I521-I532 HydrophobicContact CD1-CD1 4.31Å; I532-W534 HydrophobicContact CB-CH2 4.45Å; I532-W534 HydrophobicContact CD1-CH2 3.73Å; I532-W534 HydrophobicContact CD1-CZ2 3.69Å; I532-W534 HydrophobicContact CG1-CH2 3.86Å; I532-W534 HydrophobicContact CG1-CZ2 4.05Å; I532-W534 HydrophobicContact CG1-CZ3 4.31Å; I532-W534 HydrophobicContact CG2-CH2 3.83Å; I532-W534 HydrophobicContact CG2-CZ3 4.03Å; I532-A596 CarbonylContact O-C 3.46Å; I532-A596 WeakPolarHBondContact O-CA 3.33Å; I532-A597 HydrophobicContact CG2-CB 3.89Å; I532-A597 PolarHBondContact N-O 3.07Å; I532-A597 PolarHBondContact O-N 3.43Å; I532-L613 HydrophobicContact CG2-CD1 3.52Å
533S97.4Very high90.1Very high6 Ų639.7 Ų39.74%0.04225%0.253CS..EExtended strand (participates in β ladder)trans-146.4153.6178.9720000113.6W503 T504 V595W503-S533 WeakPolarHBondContact CB-O 3.41Å; W503-S533 PolarHBondContact N-O 3.01Å; T504-S533 PolarHBondContact N-O 3.12Å; T504-S533 PolarHBondContact N-OG 3.14Å; T504-S533 PolarHBondContact O-N 3.16Å; T504-S533 PolarHBondContact OG1-OG 2.82Å; S533-V595 CarbonylContact C-O 3.32Å; S533-V595 WeakPolarHBondContact CA-O 3.5Å; S533-V595 WeakPolarHBondContact CB-O 3.3Å
534W98.1Very high90.1Very high0 Ų042.6 Ų42.60%027%0.265CS..EExtended strand (participates in β ladder)trans-120.6134.9172.7-60.7-95.3000109.2Y485 I532 F536 W564 I594 V595 F614 F625Y485-W534 AromaticContact CE1-NE1 3.59Å; Y485-W534 AromaticContact CZ-NE1 3.63Å; Y485-W534 PolarHBondContact OH-NE1 3.04Å; I532-W534 HydrophobicContact CB-CH2 4.45Å; I532-W534 HydrophobicContact CD1-CH2 3.73Å; I532-W534 HydrophobicContact CD1-CZ2 3.69Å; I532-W534 HydrophobicContact CG1-CH2 3.86Å; I532-W534 HydrophobicContact CG1-CZ2 4.05Å; I532-W534 HydrophobicContact CG1-CZ3 4.31Å; I532-W534 HydrophobicContact CG2-CH2 3.83Å; I532-W534 HydrophobicContact CG2-CZ3 4.03Å; W534-F536 HydrophobicContact CB-CE2 4.07Å; W534-W564 HydrophobicContact CH2-CH2 4.15Å; W534-W564 HydrophobicContact CH2-CZ3 4.39Å; W534-W564 AromaticContact CZ3-CH2 3.95Å; W534-W564 HydrophobicContact CZ3-CH2 3.95Å; W534-W564 AromaticContact CZ3-CZ3 3.73Å; W534-W564 HydrophobicContact CZ3-CZ3 3.73Å; W534-I594 CarbonylContact O-C 3.53Å; W534-I594 VanDerWaalsContact O-CA 3.29Å; W534-I594 WeakPolarHBondContact O-CA 3.4Å; W534-V595 HydrophobicContact CE3-CB 4.42Å; W534-V595 PolarHBondContact N-O 3.34Å; W534-V595 PolarHBondContact O-N 3.01Å; W534-F614 AromaticContact CH2-CE2 3.96Å; W534-F614 HydrophobicContact CH2-CE2 3.96Å; W534-F614 AromaticContact CH2-CZ 3.67Å; W534-F614 HydrophobicContact CH2-CZ 3.67Å; W534-F614 HydrophobicContact CZ2-CE2 4.07Å; W534-F614 HydrophobicContact CZ2-CZ 4.05Å; W534-F625 AromaticContact CD2-CE1 3.83Å; W534-F625 HydrophobicContact CD2-CE1 3.83Å; W534-F625 AromaticContact CD2-CZ 3.96Å; W534-F625 HydrophobicContact CD2-CZ 3.96Å; W534-F625 AromaticContact CE2-CE1 3.99Å; W534-F625 HydrophobicContact CE3-CE1 4.22Å; W534-F625 AromaticContact CE3-CZ 3.9Å; W534-F625 HydrophobicContact CE3-CZ 3.9Å; W534-F625 HydrophobicContact CG-CE1 4.06Å; W534-F625 HydrophobicContact CG-CZ 4.34Å; W534-F625 HydrophobicContact CZ3-CZ 4.41Å
535K95.9Very high90.7Very high38 Ų3839.7 Ų39.717%0.16525%0.247CC..EExtended strand (participates in β ladder)trans-117.8138-178179.6171.2162.2154.90111.3V461 F462 W503 E592 L593 I594V461-K535 HydrophobicContact CG1-CG 4.21Å; V461-K535 HydrophobicContact CG2-CD 4.17Å; V461-K535 HydrophobicContact CG2-CG 4.37Å; F462-K535 PolarHBondContact N-O 2.94Å; W503-K535 HydrophobicContact CB-CB 3.62Å; W503-K535 HydrophobicContact CD2-CB 3.77Å; W503-K535 HydrophobicContact CD2-CD 3.66Å; W503-K535 HydrophobicContact CD2-CG 4.34Å; W503-K535 HydrophobicContact CE3-CB 4.16Å; W503-K535 HydrophobicContact CE3-CD 3.96Å; W503-K535 HydrophobicContact CG-CB 3.49Å; W503-K535 VanDerWaalsContact CG-CB 3.49Å; W503-K535 HydrophobicContact CG-CD 4.14Å; W503-K535 HydrophobicContact CG-CG 4.45Å; W503-K535 HydrophobicContact CH2-CD 4.23Å; W503-K535 HydrophobicContact CZ2-CD 3.91Å; W503-K535 HydrophobicContact CZ3-CD 4.25Å; K535-E592 WeakPolarHBondContact CE-OE1 3.47Å; K535-E592 IonicContact NZ-OE1 2.62Å; K535-E592 PolarHBondContact NZ-OE1 2.94Å; K535-L593 CarbonylContact C-O 3.58Å; K535-L593 WeakPolarHBondContact CA-O 3.2Å; K535-I594 HydrophobicContact CB-CG1 4.31Å; K535-I594 HydrophobicContact CD-CG1 4.44Å; K535-I594 HydrophobicContact CG-CG1 4.12Å
536F95.5Very high91.6Very high1 Ų138.2 Ų38.20%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-123.5120.7176.5-55-101.5000108.1F462 L474 V476 W534 E592 L593 V595 V627 I629F462-F536 HydrophobicContact CB-CB 4.4Å; F462-F536 HydrophobicContact CB-CD1 3.37Å; F462-F536 HydrophobicContact CB-CE1 3.8Å; F462-F536 HydrophobicContact CB-CG 4.06Å; F462-F536 HydrophobicContact CD1-CE1 4.38Å; F462-F536 AromaticContact CD2-CD1 3.95Å; F462-F536 HydrophobicContact CD2-CD1 3.95Å; F462-F536 AromaticContact CD2-CE1 3.59Å; F462-F536 HydrophobicContact CD2-CE1 3.59Å; F462-F536 HydrophobicContact CD2-CE2 4.47Å; F462-F536 AromaticContact CD2-CZ 3.87Å; F462-F536 HydrophobicContact CD2-CZ 3.87Å; F462-F536 HydrophobicContact CE2-CE1 4.25Å; F462-F536 HydrophobicContact CE2-CZ 4.26Å; F462-F536 AromaticContact CG-CD1 3.8Å; F462-F536 HydrophobicContact CG-CD1 3.8Å; F462-F536 AromaticContact CG-CE1 3.66Å; F462-F536 HydrophobicContact CG-CE1 3.66Å; F462-F536 HydrophobicContact CG-CZ 4.41Å; F462-F536 CarbonylContact O-C 3.58Å; F462-F536 WeakPolarHBondContact O-CA 3.42Å; L474-F536 HydrophobicContact CD1-CD1 4.27Å; L474-F536 HydrophobicContact CD2-CD1 3.67Å; L474-F536 HydrophobicContact CD2-CE1 3.62Å; V476-F536 HydrophobicContact CG2-CE1 4.41Å; W534-F536 HydrophobicContact CB-CE2 4.07Å; F536-E592 WeakPolarHBondContact O-CA 3.44Å; F536-L593 HydrophobicContact CB-CB 4.21Å; F536-L593 HydrophobicContact CD2-CB 4.34Å; F536-L593 HydrophobicContact CD2-CD2 4.09Å; F536-L593 HydrophobicContact CD2-CG 4.23Å; F536-L593 PolarHBondContact N-O 3.31Å; F536-L593 PolarHBondContact O-N 3.36Å; F536-V595 HydrophobicContact CE2-CG2 4.03Å; F536-V627 HydrophobicContact CE1-CB 4.48Å; F536-V627 HydrophobicContact CE1-CG1 4.13Å; F536-V627 HydrophobicContact CE2-CG1 4.08Å; F536-V627 HydrophobicContact CE2-CG2 4.39Å; F536-V627 HydrophobicContact CZ-CB 3.92Å; F536-V627 HydrophobicContact CZ-CG1 3.72Å; F536-V627 HydrophobicContact CZ-CG2 4.02Å; F536-I629 HydrophobicContact CB-CD1 3.96Å; F536-I629 HydrophobicContact CD1-CD1 3.66Å; F536-I629 HydrophobicContact CD2-CD1 4.37Å; F536-I629 HydrophobicContact CE1-CD1 4.28Å; F536-I629 HydrophobicContact CG-CD1 3.74Å
537D92.4Very high92.4Very high41 Ų4136.2 Ų36.222%0.21922%0.215CC..EExtended strand (participates in β ladder)trans-112.4116.1176.7173.330.5000109.7V461 F462 T463 P464 A539 S540V461-D537 HydrophobicContact CG1-CB 3.49Å; V461-D537 VanDerWaalsContact CG1-CB 3.49Å; F462-D537 PolarHBondContact O-N 3.09Å; T463-D537 HydrophobicContact CG2-CB 4.37Å; P464-D537 VanDerWaalsContact CD-O 3.23Å; P464-D537 WeakPolarHBondContact CD-O 3.35Å; D537-A539 WeakPolarHBondContact OD1-CB 3.04Å; D537-A539 PolarHBondContact OD1-N 3.2Å; D537-S540 WeakPolarHBondContact OD2-CB 3.48Å; D537-S540 PolarHBondContact OD2-OG 2.82Å
538L92Very high93.2Very high0 Ų035.3 Ų35.30%021%0.208CC..  trans-104.4-15180-47.2178.9000111.7P464 S540 A541 G542 L543 I545 S591 I629 L631P464-L538 HydrophobicContact CG-CD2 3.51Å; L538-S540 VanDerWaalsContact C-N 3.34Å; L538-S540 PolarHBondContact O-N 3.07Å; L538-A541 PolarHBondContact O-N 2.87Å; L538-A541 VanDerWaalsContact O-N 3.1Å; L538-G542 PolarHBondContact O-N 3.3Å; L538-L543 CarbonylContact C-O 3.51Å; L538-L543 HydrophobicContact CB-CB 4.22Å; L538-L543 VanDerWaalsContact CB-O 3.29Å; L538-L543 WeakPolarHBondContact CB-O 3.39Å; L538-L543 PolarHBondContact O-N 2.88Å; L538-I545 HydrophobicContact CD1-CB 4.48Å; L538-I545 HydrophobicContact CD1-CD1 4.43Å; L538-I545 HydrophobicContact CD1-CG1 3.45Å; L538-I545 VanDerWaalsContact CD1-CG1 3.45Å; L538-S591 WeakPolarHBondContact CA-O 3.32Å; L538-S591 WeakPolarHBondContact CB-O 3.38Å; L538-S591 PolarHBondContact N-O 3.33Å; L538-I629 HydrophobicContact CD1-CG2 4.37Å; L538-L631 HydrophobicContact CD1-CD2 3.6Å; L538-L631 HydrophobicContact CD2-CD2 3.73Å; L538-L631 HydrophobicContact CG-CD2 4.26Å
539A87.6Confident93.6Very high55 Ų5530.7 Ų30.746%0.45518%0.181SC..G310 helixtrans-63.8-42.5-176.800000111D537 A541 G542 S591D537-A539 WeakPolarHBondContact OD1-CB 3.04Å; D537-A539 PolarHBondContact OD1-N 3.2Å; A539-A541 PolarHBondContact O-N 3.29Å; A539-A541 VanDerWaalsContact O-N 3.17Å; A539-G542 PolarHBondContact O-N 2.77Å; A539-S591 PolarHBondContact N-O 3.35Å
540S82.2Confident93.8Very high82 Ų8229 Ų2957%0.57317%0.171SC*.G310 helixtrans-59.7-23.3175.750.70000113.6D537 L538D537-S540 WeakPolarHBondContact OD2-CB 3.48Å; D537-S540 PolarHBondContact OD2-OG 2.82Å; L538-S540 VanDerWaalsContact C-N 3.34Å; L538-S540 PolarHBondContact O-N 3.07Å
541A86.2Confident93.9Very high24 Ų2429.7 Ų29.720%0.19817%0.174CC..G310 helixtrans-96.1-0.4176.200000113.9P464 L538 A539 L543P464-A541 HydrophobicContact CB-CB 4.02Å; P464-A541 HydrophobicContact CG-CB 3.89Å; L538-A541 PolarHBondContact O-N 2.87Å; L538-A541 VanDerWaalsContact O-N 3.1Å; A539-A541 PolarHBondContact O-N 3.29Å; A539-A541 VanDerWaalsContact O-N 3.17Å; A541-L543 VanDerWaalsContact C-N 3.3Å; A541-L543 HydrophobicContact CB-CD1 4.22Å; A541-L543 HydrophobicContact CB-CG 4.22Å
542G90Very high93.9Very high38 Ų3825.1 Ų25.139%0.39216%0.156SC..THydrogen-bonded Turntrans67.529-174.400000113.4L538 A539 A634L538-G542 PolarHBondContact O-N 3.3Å; A539-G542 PolarHBondContact O-N 2.77Å; G542-A634 VanDerWaalsContact O-CB 3.23Å; G542-A634 WeakPolarHBondContact O-CB 3.31Å; G542-A634 PolarHBondContact O-N 3.21Å
543L94.3Very high93.8Very high7 Ų727 Ų274%0.03717%0.167CC..EExtended strand (participates in β ladder)trans-120.1156.7-175.5-65-179.5000112P464 K469 L538 A541 L631 Q632P464-L543 HydrophobicContact CB-CD1 4.21Å; P464-L543 HydrophobicContact CG-CD1 4.24Å; K469-L543 HydrophobicContact CB-CD1 4.39Å; K469-L543 HydrophobicContact CG-CD1 3.91Å; L538-L543 CarbonylContact C-O 3.51Å; L538-L543 HydrophobicContact CB-CB 4.22Å; L538-L543 VanDerWaalsContact CB-O 3.29Å; L538-L543 WeakPolarHBondContact CB-O 3.39Å; L538-L543 PolarHBondContact O-N 2.88Å; A541-L543 VanDerWaalsContact C-N 3.3Å; A541-L543 HydrophobicContact CB-CD1 4.22Å; A541-L543 HydrophobicContact CB-CG 4.22Å; L543-L631 HydrophobicContact CD1-CB 4.28Å; L543-L631 HydrophobicContact CD1-CD1 3.87Å; L543-Q632 WeakPolarHBondContact CA-O 3.32Å; L543-Q632 WeakPolarHBondContact CD2-O 3.24Å
544K94.5Very high93.8Very high65 Ų6528 Ų2828%0.28317%0.174SC..EExtended strand (participates in β ladder)trans-125.1159.7172.6-76.2175178.9170.70110.9H546 G589 S590 L631 Q632 A634K544-H546 PolarHBondContact O-N 2.93Å; K544-G589 WeakPolarHBondContact CD-O 3.13Å; K544-G589 WeakPolarHBondContact CG-O 3.48Å; K544-S590 CarbonylContact C-O 3.52Å; K544-S590 WeakPolarHBondContact CA-O 3.21Å; K544-L631 WeakPolarHBondContact O-CA 3.42Å; K544-Q632 HydrophobicContact CB-CG 4.04Å; K544-Q632 PolarHBondContact N-O 3.15Å; K544-Q632 PolarHBondContact O-N 3.43Å; K544-A634 HydrophobicContact CD-CB 4.29Å; K544-A634 WeakPolarHBondContact CD-OXT 3.29Å; K544-A634 WeakPolarHBondContact CE-OXT 3.15Å; K544-A634 HydrophobicContact CG-CB 4.12Å; K544-A634 PolarHBondContact NZ-OXT 2.68Å
545I95Very high93.8Very high0 Ų033.3 Ų33.30%020%0.197CC..EExtended strand (participates in β ladder)trans-68.2125.8171.5-64.1176.3000108.9L538 V548 L587 S588 G589 S590 L593 I629L538-I545 HydrophobicContact CD1-CB 4.48Å; L538-I545 HydrophobicContact CD1-CD1 4.43Å; L538-I545 HydrophobicContact CD1-CG1 3.45Å; L538-I545 VanDerWaalsContact CD1-CG1 3.45Å; I545-V548 HydrophobicContact CD1-CG2 3.99Å; I545-V548 HydrophobicContact CG1-CG2 4.41Å; I545-V548 HydrophobicContact CG2-CG2 3.61Å; I545-L587 HydrophobicContact CD1-CB 4.48Å; I545-L587 HydrophobicContact CG2-CB 4.44Å; I545-S588 CarbonylContact O-C 3.51Å; I545-S588 WeakPolarHBondContact O-CA 3.33Å; I545-S588 PolarHBondContact O-OG 2.81Å; I545-G589 PolarHBondContact O-N 2.75Å; I545-S590 WeakPolarHBondContact CG1-O 3.38Å; I545-S590 PolarHBondContact N-O 3.49Å; I545-L593 HydrophobicContact CD1-CB 3.98Å; I545-I629 HydrophobicContact CG1-CG2 4.06Å; I545-I629 HydrophobicContact CG2-CG2 4.44Å
546H94.1Very high93.8Very high101 Ų10134.7 Ų34.747%0.46821%0.208SC..EExtended strand (participates in β ladder)trans-84.4-52.9162.5-178.465.5000110.1K544 S588 Q630 Q632K544-H546 PolarHBondContact O-N 2.93Å; H546-S588 VanDerWaalsContact O-CB 3.3Å; H546-S588 WeakPolarHBondContact O-CB 3.37Å; H546-S588 PolarHBondContact O-OG 2.76Å; H546-Q630 HydrophobicContact CB-CB 4.07Å; H546-Q630 WeakPolarHBondContact CB-O 3.23Å; H546-Q630 PolarHBondContact N-O 3.41Å; H546-Q632 HydrophobicContact CB-CB 4.18Å; H546-Q632 HydrophobicContact CB-CG 4.21Å; H546-Q632 PolarHBondContact ND1-OE1 3.01Å
547S94.4Very high93.7Very high34 Ų3438 Ų3824%0.23822%0.223CC..EExtended strand (participates in β ladder)trans-154149.7175.963.80000110.9Q630S547-Q630 PolarHBondContact N-O 3.24Å; S547-Q630 PolarHBondContact O-N 3.38Å; S547-Q630 WeakPolarHBondContact OG-CB 3.46Å; S547-Q630 WeakPolarHBondContact OG-CG 3.46Å
548V96.4Very high93.8Very high0 Ų042.2 Ų42.20%024%0.241CC..EExtended strand (participates in β ladder)trans-117.7139175.3168.40000109.8I545 V550 S583 F584 L587 L593 V628 I629I545-V548 HydrophobicContact CD1-CG2 3.99Å; I545-V548 HydrophobicContact CG1-CG2 4.41Å; I545-V548 HydrophobicContact CG2-CG2 3.61Å; V548-V550 HydrophobicContact CG1-CG2 3.62Å; V548-S583 CarbonylContact O-C 3.58Å; V548-S583 WeakPolarHBondContact O-CA 3.37Å; V548-F584 PolarHBondContact N-O 2.98Å; V548-F584 PolarHBondContact O-N 3.12Å; V548-L587 HydrophobicContact CB-CD1 4.33Å; V548-L587 HydrophobicContact CG2-CD1 4.42Å; V548-L593 HydrophobicContact CG1-CD2 3.89Å; V548-L593 HydrophobicContact CG2-CD2 3.89Å; V548-V628 CarbonylContact C-O 3.52Å; V548-V628 WeakPolarHBondContact CA-O 3.34Å; V548-I629 HydrophobicContact CG2-CG1 4.27Å; V548-I629 HydrophobicContact CG2-CG2 4.08Å
549S97.4Very high93.9Very high19 Ų1944.4 Ų44.413%0.13326%0.257CS..EExtended strand (participates in β ladder)trans-124.3131.8164.6-55.90000110.2Q582 S583 V628S549-Q582 CarbonylContact C-O 3.52Å; S549-Q582 WeakPolarHBondContact CA-O 3.44Å; S549-S583 PolarHBondContact OG-OG 3.11Å; S549-V628 PolarHBondContact N-O 3.45Å; S549-V628 PolarHBondContact O-N 2.95Å
550V97.4Very high94.3Very high0 Ų042.1 Ų42.10%024%0.239CC..EExtended strand (participates in β ladder)trans-128.6136.9-179.9-176.60000110V548 L566 F575 Q582 F584 V595 F625 E626 V627V548-V550 HydrophobicContact CG1-CG2 3.62Å; V550-L566 HydrophobicContact CG2-CD1 4.3Å; V550-L566 HydrophobicContact CG2-CD2 3.82Å; V550-F575 HydrophobicContact CB-CE2 4.41Å; V550-F575 HydrophobicContact CB-CZ 4.43Å; V550-F575 HydrophobicContact CG1-CE1 4.5Å; V550-F575 HydrophobicContact CG1-CE2 3.76Å; V550-F575 HydrophobicContact CG1-CZ 3.64Å; V550-Q582 PolarHBondContact N-O 3.36Å; V550-Q582 PolarHBondContact O-N 2.94Å; V550-F584 HydrophobicContact CB-CE2 4.38Å; V550-V595 HydrophobicContact CG1-CG1 4.2Å; V550-V595 HydrophobicContact CG2-CG2 4.45Å; V550-F625 HydrophobicContact CG1-CE2 4.02Å; V550-E626 CarbonylContact C-O 3.57Å; V550-E626 WeakPolarHBondContact CA-O 3.5Å; V550-V627 HydrophobicContact CG1-CG2 4.31Å; V550-V627 HydrophobicContact CG2-CG1 4.33Å; V550-V627 HydrophobicContact CG2-CG2 4.34Å
551M97.6Very high95Very high14 Ų1444.9 Ų44.97%0.06924%0.24CC..EExtended strand (participates in β ladder)trans-121.8131.8167178-79.8-70.600107.6G579 L581 A623 F625 E626M551-G579 WeakPolarHBondContact CG-O 3.47Å; M551-L581 HydrophobicContact CB-CB 4.34Å; M551-L581 HydrophobicContact CB-CD1 3.86Å; M551-A623 HydrophobicContact CE-CB 4.05Å; M551-A623 WeakPolarHBondContact CE-O 3.3Å; M551-F625 CarbonylContact O-C 3.51Å; M551-F625 WeakPolarHBondContact O-CA 3.36Å; M551-F625 VanDerWaalsContact O-CD2 3.24Å; M551-F625 WeakPolarHBondContact O-CD2 3.43Å; M551-E626 HydrophobicContact CB-CB 4.2Å; M551-E626 HydrophobicContact CE-CB 3.86Å; M551-E626 PolarHBondContact N-O 2.82Å; M551-E626 PolarHBondContact O-N 3.32Å
552A96.9Very high95.6Very high0 Ų045.2 Ų45.20%024%0.239CC..EExtended strand (participates in β ladder)trans-137.9143.817000000109.2W564 F575 G577 D578 G579 F625A552-W564 HydrophobicContact CB-CD2 3.87Å; A552-W564 HydrophobicContact CB-CE3 4.02Å; A552-W564 HydrophobicContact CB-CH2 3.8Å; A552-W564 HydrophobicContact CB-CZ2 3.61Å; A552-W564 HydrophobicContact CB-CZ3 3.98Å; A552-F575 HydrophobicContact CB-CE2 3.9Å; A552-F575 HydrophobicContact CB-CZ 4.39Å; A552-G577 CarbonylContact O-C 3.59Å; A552-G577 WeakPolarHBondContact O-CA 3.15Å; A552-D578 PolarHBondContact O-N 3.5Å; A552-G579 WeakPolarHBondContact O-CA 3.24Å; A552-G579 PolarHBondContact O-N 2.92Å; A552-F625 HydrophobicContact CB-CD2 4.02Å
553N95.4Very high96Very high43 Ų4345.6 Ų45.623%0.2324%0.236CC..BIsolated β-bridgetrans-108.7137.3173.8-1703.4000110.4G577 F614 S624N553-G577 CarbonylContact C-O 3.59Å; N553-F614 WeakPolarHBondContact O-CD1 3.47Å; N553-F614 PolarHBondContact O-N 3.23Å; N553-S624 PolarHBondContact N-O 3.07Å; N553-S624 VanDerWaalsContact N-O 3.1Å
554S96.9Very high96.2Very high26 Ų2645.4 Ų45.418%0.18224%0.235CC..EExtended strand (participates in β ladder)trans-148150.5175.958.50000111.3G577 Q612S554-G577 PolarHBondContact N-O 3.25Å; S554-G577 WeakPolarHBondContact OG-CA 3.39Å; S554-G577 PolarHBondContact OG-O 2.97Å; S554-Q612 CarbonylContact C-O 3.59Å; S554-Q612 VanDerWaalsContact CA-O 3.26Å; S554-Q612 WeakPolarHBondContact CA-O 3.16Å
555K97.4Very high96.3Very high111 Ų11143 Ų4348%0.48323%0.226SC..EExtended strand (participates in β ladder)trans-131.9134176.4-163.970.1175.8-178.70109.6F557 Q612 R615K555-F557 HydrophobicContact CB-CE2 4.37Å; K555-F557 HydrophobicContact CG-CE2 3.8Å; K555-F557 HydrophobicContact CG-CZ 3.81Å; K555-Q612 PolarHBondContact N-O 3.15Å; K555-Q612 WeakPolarHBondContact O-CB 3.32Å; K555-Q612 PolarHBondContact O-N 3.02Å; K555-R615 HydrophobicContact CB-CB 4.04Å
556T96.7Very high96.3Very high67 Ų6743 Ų4341%0.41123%0.226SC..EExtended strand (participates in β ladder)trans-115.2151.5173.455.10000110.7G560 V562 H610T556-G560 WeakPolarHBondContact CB-O 3.23Å; T556-G560 WeakPolarHBondContact CG2-O 3.44Å; T556-V562 HydrophobicContact CG2-CB 4.39Å; T556-V562 HydrophobicContact CG2-CG2 3.94Å; T556-H610 CarbonylContact C-O 3.59Å; T556-H610 VanDerWaalsContact CA-O 3.27Å; T556-H610 WeakPolarHBondContact CA-O 3.42Å
557F91.9Very high96.3Very high71 Ų7141.5 Ų41.531%0.31122%0.219SC..  trans-132.7151.5175.3-59.5-89.1000108.9K555 S559 G560 H610 Q612K555-F557 HydrophobicContact CB-CE2 4.37Å; K555-F557 HydrophobicContact CG-CE2 3.8Å; K555-F557 HydrophobicContact CG-CZ 3.81Å; F557-S559 PolarHBondContact O-N 2.87Å; F557-G560 WeakPolarHBondContact O-CA 3.1Å; F557-G560 PolarHBondContact O-N 3.14Å; F557-H610 HydrophobicContact CB-CB 4.5Å; F557-H610 PolarHBondContact N-O 3.29Å; F557-H610 WeakPolarHBondContact O-CB 3.42Å; F557-Q612 HydrophobicContact CE2-CG 4.43Å
558Q94.9Very high96.1Very high129 Ų12940.4 Ų40.460%0.60321%0.212SC*.THydrogen-bonded Turntrans46.2-128.6-177-57.879.219.800112.1G560 D603 H610Q558-G560 VanDerWaalsContact C-N 3.29Å; Q558-G560 PolarHBondContact O-N 3.33Å; Q558-D603 VanDerWaalsContact CB-OD2 3.28Å; Q558-D603 WeakPolarHBondContact CB-OD2 3.41Å; Q558-H610 PolarHBondContact OE1-CD2 3.05Å; Q558-H610 VanDerWaalsContact OE1-CD2 3.25Å; Q558-H610 PolarHBondContact OE1-CE1 3.42Å; Q558-H610 PolarHBondContact OE1-ND1 3.12Å; Q558-H610 PolarHBondContact OE1-NE2 2.82Å
559S95.1Very high95.3Very high47 Ų4743.7 Ų43.733%0.32925%0.245SC..THydrogen-bonded Turntrans-84.29.2177.171.50000114.8F557 G602 D603F557-S559 PolarHBondContact O-N 2.87Å; S559-G602 PolarHBondContact O-N 3.07Å; S559-G602 WeakPolarHBondContact OG-CA 3.29Å; S559-G602 PolarHBondContact OG-N 3.35Å; S559-G602 PolarHBondContact OG-O 3.31Å; S559-D603 WeakPolarHBondContact CB-OD1 3.48Å; S559-D603 PolarHBondContact N-OD2 3.09Å; S559-D603 PolarHBondContact OG-OD1 2.69Å; S559-D603 PolarHBondContact OG-OD2 3.44Å
560G95.9Very high94.4Very high7 Ų752.4 Ų52.47%0.07228%0.284CS..  trans-63.7144.7-179.500000113.1T556 F557 Q558T556-G560 WeakPolarHBondContact CB-O 3.23Å; T556-G560 WeakPolarHBondContact CG2-O 3.44Å; F557-G560 WeakPolarHBondContact O-CA 3.1Å; F557-G560 PolarHBondContact O-N 3.14Å; Q558-G560 VanDerWaalsContact C-N 3.29Å; Q558-G560 PolarHBondContact O-N 3.33Å
561K97.3Very high93.8Very high140 Ų14055.9 Ų55.961%0.60930%0.301SS*.EExtended strand (participates in β ladder)trans-134.5142-177.9-65-177.8-177.4179.70111S600 S611K561-S600 PolarHBondContact N-O 3.47Å; K561-S600 PolarHBondContact O-N 3.48Å; K561-S611 WeakPolarHBondContact O-CB 3.1Å
562V98.2Very high93.5Very high30 Ų3059.3 Ų59.318%0.18232%0.323CS..EExtended strand (participates in β ladder)trans-129124.8170.2177.40000107.3T556 E598 L599 L613T556-V562 HydrophobicContact CG2-CB 4.39Å; T556-V562 HydrophobicContact CG2-CG2 3.94Å; V562-E598 CarbonylContact C-O 3.57Å; V562-E598 WeakPolarHBondContact CA-O 3.27Å; V562-L599 HydrophobicContact CG2-CG 4.48Å; V562-L613 HydrophobicContact CB-CD2 4.41Å; V562-L613 HydrophobicContact CG1-CD2 3.42Å; V562-L613 VanDerWaalsContact CG1-CD2 3.42Å; V562-L613 HydrophobicContact CG2-CD2 4.05Å
563C97.9Very high93.3Very high46 Ų4661.2 Ų61.231%0.31133%0.334SS..EExtended strand (participates in β ladder)trans-113.3121.4174.4178.70000108.7A597 E598C563-A597 CarbonylContact O-C 3.58Å; C563-A597 VanDerWaalsContact O-CA 3.3Å; C563-A597 WeakPolarHBondContact O-CA 3.39Å; C563-E598 PolarHBondContact N-O 3.3Å; C563-E598 PolarHBondContact O-N 3.47Å
564W98.3Very high93.3Very high4 Ų465.9 Ų65.92%0.01536%0.355CS..EExtended strand (participates in β ladder)trans-104.3135.3176.4-77.799.1000109.9W534 A552 E574 F575 V595 A596 A597 L613 F614 F625W534-W564 HydrophobicContact CH2-CH2 4.15Å; W534-W564 HydrophobicContact CH2-CZ3 4.39Å; W534-W564 AromaticContact CZ3-CH2 3.95Å; W534-W564 HydrophobicContact CZ3-CH2 3.95Å; W534-W564 AromaticContact CZ3-CZ3 3.73Å; W534-W564 HydrophobicContact CZ3-CZ3 3.73Å; A552-W564 HydrophobicContact CB-CD2 3.87Å; A552-W564 HydrophobicContact CB-CE3 4.02Å; A552-W564 HydrophobicContact CB-CH2 3.8Å; A552-W564 HydrophobicContact CB-CZ2 3.61Å; A552-W564 HydrophobicContact CB-CZ3 3.98Å; W564-E574 VanDerWaalsContact O-CA 3.23Å; W564-E574 WeakPolarHBondContact O-CA 3.44Å; W564-F575 HydrophobicContact CB-CD1 3.92Å; W564-F575 HydrophobicContact CB-CD2 4.13Å; W564-F575 HydrophobicContact CB-CE1 3.72Å; W564-F575 HydrophobicContact CB-CE2 3.93Å; W564-F575 HydrophobicContact CB-CG 4.13Å; W564-F575 HydrophobicContact CB-CZ 3.72Å; W564-F575 WeakPolarHBondContact CB-O 3.47Å; W564-F575 HydrophobicContact CD2-CE2 4.29Å; W564-F575 HydrophobicContact CD2-CZ 4Å; W564-F575 HydrophobicContact CE3-CE1 4.26Å; W564-F575 HydrophobicContact CE3-CE2 4.27Å; W564-F575 AromaticContact CE3-CZ 3.59Å; W564-F575 HydrophobicContact CE3-CZ 3.59Å; W564-F575 HydrophobicContact CG-CE2 4.18Å; W564-F575 HydrophobicContact CG-CZ 4.1Å; W564-F575 HydrophobicContact CZ3-CZ 4.48Å; W564-F575 PolarHBondContact O-N 3.33Å; W564-V595 HydrophobicContact CE3-CG1 4.38Å; W564-V595 HydrophobicContact CZ3-CG1 4.29Å; W564-A596 WeakPolarHBondContact CA-O 3.42Å; W564-A597 HydrophobicContact CD2-CB 3.83Å; W564-A597 HydrophobicContact CE3-CB 3.71Å; W564-A597 HydrophobicContact CH2-CB 3.75Å; W564-A597 HydrophobicContact CZ2-CB 3.88Å; W564-A597 HydrophobicContact CZ3-CB 3.69Å; W564-L613 HydrophobicContact CH2-CD1 4.2Å; W564-L613 HydrophobicContact CZ2-CB 4.37Å; W564-L613 HydrophobicContact CZ2-CD1 4.08Å; W564-L613 HydrophobicContact CZ2-CD2 3.78Å; W564-L613 HydrophobicContact CZ2-CG 4.29Å; W564-F614 AromaticContact CH2-CE1 3.64Å; W564-F614 HydrophobicContact CH2-CE1 3.64Å; W564-F614 AromaticContact CH2-CZ 3.65Å; W564-F614 HydrophobicContact CH2-CZ 3.65Å; W564-F614 AromaticContact CZ2-CE1 3.8Å; W564-F614 HydrophobicContact CZ2-CE1 3.8Å; W564-F614 HydrophobicContact CZ2-CZ 4.19Å; W564-F625 HydrophobicContact CZ3-CE2 4.27Å
565S96.9Very high93.3Very high15 Ų1565.5 Ų65.511%0.10535%0.35CS..EExtended strand (participates in β ladder)trans-141.1149.6179.462.80000113T573 A596S565-T573 CarbonylContact C-O 3.53Å; S565-T573 WeakPolarHBondContact CA-O 3.36Å; S565-A596 PolarHBondContact N-O 2.95Å; S565-A596 PolarHBondContact O-N 3.45Å
566L95.9Very high93.1Very high0 Ų062.6 Ų62.60%034%0.343CS..EExtended strand (participates in β ladder)trans-108.2130.9167.3-58.7176.6000108.3V550 T572 T573 F575 F584 L587 L593 I594 V595V550-L566 HydrophobicContact CG2-CD1 4.3Å; V550-L566 HydrophobicContact CG2-CD2 3.82Å; L566-T572 CarbonylContact O-C 3.48Å; L566-T572 VanDerWaalsContact O-CA 3.3Å; L566-T572 WeakPolarHBondContact O-CA 3.47Å; L566-T573 PolarHBondContact N-O 3.41Å; L566-T573 PolarHBondContact O-N 3.41Å; L566-F575 HydrophobicContact CD1-CD1 4.4Å; L566-F575 HydrophobicContact CD2-CD1 4.24Å; L566-F575 HydrophobicContact CD2-CE1 3.7Å; L566-F575 HydrophobicContact CD2-CZ 4.4Å; L566-F575 HydrophobicContact CG-CD1 3.8Å; L566-F575 HydrophobicContact CG-CE1 3.78Å; L566-F584 HydrophobicContact CD1-CB 4.18Å; L566-F584 HydrophobicContact CD1-CD1 3.8Å; L566-F584 HydrophobicContact CD1-CD2 3.28Å; L566-F584 HydrophobicContact CD1-CE1 3.98Å; L566-F584 HydrophobicContact CD1-CE2 3.5Å; L566-F584 VanDerWaalsContact CD1-CE2 3.5Å; L566-F584 HydrophobicContact CD1-CG 3.46Å; L566-F584 VanDerWaalsContact CD1-CG 3.46Å; L566-F584 HydrophobicContact CD1-CZ 3.85Å; L566-L587 HydrophobicContact CB-CD1 4.12Å; L566-L587 HydrophobicContact CD1-CD1 3.87Å; L566-L593 HydrophobicContact CB-CD1 4.28Å; L566-L593 HydrophobicContact CD2-CD1 4.25Å; L566-I594 CarbonylContact C-O 3.55Å; L566-I594 WeakPolarHBondContact CA-O 3.31Å; L566-V595 HydrophobicContact CD2-CB 4.08Å; L566-V595 HydrophobicContact CD2-CG1 3.86Å; L566-V595 HydrophobicContact CD2-CG2 3.62Å
567Q93.3Very high93Very high69 Ų6959.9 Ų59.932%0.32233%0.329SS..EExtended strand (participates in β ladder)trans-123.2137.2179.8-49.8172.22.500109.8M571 T572 I594Q567-M571 WeakPolarHBondContact CA-O 3.44Å; Q567-T572 HydrophobicContact CG-CG2 4.07Å; Q567-I594 HydrophobicContact CB-CB 4.17Å; Q567-I594 PolarHBondContact N-O 3.03Å; Q567-I594 PolarHBondContact O-N 3.4Å
568S89.5Confident93.1Very high11 Ų1160.5 Ų60.58%0.07734%0.336CS..EExtended strand (participates in β ladder)trans-150.1114.7170.8-170.50000109.5Q570 M571 S590 E592S568-Q570 PolarHBondContact O-N 2.79Å; S568-M571 PolarHBondContact N-O 2.96Å; S568-M571 PolarHBondContact O-N 2.48Å; S568-S590 WeakPolarHBondContact OG-CB 3.34Å; S568-S590 PolarHBondContact OG-OG 3.2Å; S568-E592 WeakPolarHBondContact CB-O 3.46Å; S568-E592 PolarHBondContact OG-O 3.16Å
569G80.3Confident93.1Very high68 Ų6856 Ų5670%0.70132%0.324SS*.THydrogen-bonded Turntrans57-118.6-17100000111.8
570Q77.7Confident93Very high203 Ų20362.3 Ų62.395%0.94934%0.34SS*.THydrogen-bonded Turntrans-91.7-7.3177.3-66.5-171.3-1400113.8S568S568-Q570 PolarHBondContact O-N 2.79Å
571M84.9Confident93Very high73 Ų7366.4 Ų66.436%0.3636%0.36SS..EExtended strand (participates in β ladder)trans-89.2128.9-177.1-170159.768.900110.6Q567 S568 S586 L587Q567-M571 WeakPolarHBondContact CA-O 3.44Å; S568-M571 PolarHBondContact N-O 2.96Å; S568-M571 PolarHBondContact O-N 2.48Å; M571-S586 WeakPolarHBondContact CE-O 3.49Å; M571-L587 HydrophobicContact CE-CD2 3.69Å; M571-L587 HydrophobicContact CE-CG 4.35Å
572T91.9Very high93Very high86 Ų8661.9 Ų61.953%0.52834%0.341SS..EExtended strand (participates in β ladder)trans-123.6129.6172.2-600000109L566 Q567L566-T572 CarbonylContact O-C 3.48Å; L566-T572 VanDerWaalsContact O-CA 3.3Å; L566-T572 WeakPolarHBondContact O-CA 3.47Å; Q567-T572 HydrophobicContact CG-CG2 4.07Å
573T93.1Very high92.8Very high39 Ų3964.8 Ų64.824%0.23936%0.363CS..EExtended strand (participates in β ladder)trans-127.2124.8178.1-57.50000109.4S565 L566 F584S565-T573 CarbonylContact C-O 3.53Å; S565-T573 WeakPolarHBondContact CA-O 3.36Å; L566-T573 PolarHBondContact N-O 3.41Å; L566-T573 PolarHBondContact O-N 3.41Å; T573-F584 HydrophobicContact CG2-CD1 4.15Å; T573-F584 HydrophobicContact CG2-CE1 4.18Å
574E95.5Very high92.6Very high141 Ų14163.7 Ų63.766%0.65935%0.352SS*.EExtended strand (participates in β ladder)trans-81.4151.2175-66.5-176.9-173.700111.7W564W564-E574 VanDerWaalsContact O-CA 3.23Å; W564-E574 WeakPolarHBondContact O-CA 3.44Å
575F95.9Very high92Very high19 Ų1968.1 Ų68.18%0.08338%0.384CS..EExtended strand (participates in β ladder)trans-143.4163.9176.669.9-85.3000112.6V550 A552 W564 L566 F584 V595V550-F575 HydrophobicContact CB-CE2 4.41Å; V550-F575 HydrophobicContact CB-CZ 4.43Å; V550-F575 HydrophobicContact CG1-CE1 4.5Å; V550-F575 HydrophobicContact CG1-CE2 3.76Å; V550-F575 HydrophobicContact CG1-CZ 3.64Å; A552-F575 HydrophobicContact CB-CE2 3.9Å; A552-F575 HydrophobicContact CB-CZ 4.39Å; W564-F575 HydrophobicContact CB-CD1 3.92Å; W564-F575 HydrophobicContact CB-CD2 4.13Å; W564-F575 HydrophobicContact CB-CE1 3.72Å; W564-F575 HydrophobicContact CB-CE2 3.93Å; W564-F575 HydrophobicContact CB-CG 4.13Å; W564-F575 HydrophobicContact CB-CZ 3.72Å; W564-F575 WeakPolarHBondContact CB-O 3.47Å; W564-F575 HydrophobicContact CD2-CE2 4.29Å; W564-F575 HydrophobicContact CD2-CZ 4Å; W564-F575 HydrophobicContact CE3-CE1 4.26Å; W564-F575 HydrophobicContact CE3-CE2 4.27Å; W564-F575 AromaticContact CE3-CZ 3.59Å; W564-F575 HydrophobicContact CE3-CZ 3.59Å; W564-F575 HydrophobicContact CG-CE2 4.18Å; W564-F575 HydrophobicContact CG-CZ 4.1Å; W564-F575 HydrophobicContact CZ3-CZ 4.48Å; W564-F575 PolarHBondContact O-N 3.33Å; L566-F575 HydrophobicContact CD1-CD1 4.4Å; L566-F575 HydrophobicContact CD2-CD1 4.24Å; L566-F575 HydrophobicContact CD2-CE1 3.7Å; L566-F575 HydrophobicContact CD2-CZ 4.4Å; L566-F575 HydrophobicContact CG-CD1 3.8Å; L566-F575 HydrophobicContact CG-CE1 3.78Å; F575-F584 HydrophobicContact CB-CE1 3.98Å; F575-F584 HydrophobicContact CB-CE2 4.5Å; F575-F584 HydrophobicContact CB-CZ 3.46Å; F575-F584 VanDerWaalsContact CB-CZ 3.46Å; F575-F584 HydrophobicContact CD1-CZ 4.5Å; F575-F584 HydrophobicContact CG-CZ 4.01Å; F575-V595 HydrophobicContact CE1-CG1 4.15Å; F575-V595 HydrophobicContact CZ-CG1 3.94Å
576S94.5Very high91.4Very high49 Ų4970.5 Ų70.534%0.34340%0.401SS..  trans-81.2135.7179.756.20000112D578 Q582S576-D578 PolarHBondContact O-N 3.44Å; S576-D578 PolarHBondContact OG-OD1 3.02Å; S576-Q582 PolarHBondContact O-NE2 2.88Å; S576-Q582 PolarHBondContact OG-NE2 3.31Å; S576-Q582 PolarHBondContact OG-OE1 3.03Å
577G95Very high91Very high11 Ų1170.5 Ų70.511%0.11340%0.401CS..  trans-88.347168.600000112.4A552 N553 S554A552-G577 CarbonylContact O-C 3.59Å; A552-G577 WeakPolarHBondContact O-CA 3.15Å; N553-G577 CarbonylContact C-O 3.59Å; S554-G577 PolarHBondContact N-O 3.25Å; S554-G577 WeakPolarHBondContact OG-CA 3.39Å; S554-G577 PolarHBondContact OG-O 2.97Å
578D94.1Very high90.8Very high84 Ų8469.8 Ų69.845%0.44940%0.404SS..BIsolated β-bridgetrans-93.56.4-173.169.5-29.1000114A552 S576 R580A552-D578 PolarHBondContact O-N 3.5Å; S576-D578 PolarHBondContact O-N 3.44Å; S576-D578 PolarHBondContact OG-OD1 3.02Å; D578-R580 VanDerWaalsContact C-N 3.3Å; D578-R580 PolarHBondContact O-N 3.42Å; D578-R580 PolarHBondContact OD1-N 2.92Å; D578-R580 VanDerWaalsContact OD2-CD 3.27Å; D578-R580 WeakPolarHBondContact OD2-CD 3.13Å; D578-R580 WeakPolarHBondContact OD2-CG 3.43Å
579G93.5Very high90.9Very high34 Ų3470.9 Ų70.935%0.35142%0.416SS..SBendtrans78.58.6-178.200000114.3M551 A552M551-G579 WeakPolarHBondContact CG-O 3.47Å; A552-G579 WeakPolarHBondContact O-CA 3.24Å; A552-G579 PolarHBondContact O-N 2.92Å
580R94.5Very high91.5Very high180 Ų18069 Ų6968%0.67939%0.392SS*.  trans-100.6140.8176.1-58.6-177.2112.8-179.43.3111D578 Q582D578-R580 VanDerWaalsContact C-N 3.3Å; D578-R580 PolarHBondContact O-N 3.42Å; D578-R580 PolarHBondContact OD1-N 2.92Å; D578-R580 VanDerWaalsContact OD2-CD 3.27Å; D578-R580 WeakPolarHBondContact OD2-CD 3.13Å; D578-R580 WeakPolarHBondContact OD2-CG 3.43Å; R580-Q582 PolarHBondContact O-N 3.3Å
581L95Very high92.1Very high92 Ų9261.5 Ų61.548%0.48236%0.363SS..  trans-70.7121.6175-16971.3000110M551M551-L581 HydrophobicContact CB-CB 4.34Å; M551-L581 HydrophobicContact CB-CD1 3.86Å
582Q96.5Very high92.5Very high46 Ų4660.6 Ų60.622%0.21536%0.357CS..EExtended strand (participates in β ladder)trans-116138.8-179.8-71.7163.879.500110.1S549 V550 S576 R580 F584S549-Q582 CarbonylContact C-O 3.52Å; S549-Q582 WeakPolarHBondContact CA-O 3.44Å; V550-Q582 PolarHBondContact N-O 3.36Å; V550-Q582 PolarHBondContact O-N 2.94Å; S576-Q582 PolarHBondContact O-NE2 2.88Å; S576-Q582 PolarHBondContact OG-NE2 3.31Å; S576-Q582 PolarHBondContact OG-OE1 3.03Å; R580-Q582 PolarHBondContact O-N 3.3Å; Q582-F584 HydrophobicContact CB-CE2 3.66Å; Q582-F584 HydrophobicContact CB-CZ 3.69Å; Q582-F584 VanDerWaalsContact O-CE2 3.27Å; Q582-F584 WeakPolarHBondContact O-CE2 3.2Å
583S94.7Very high92.7Very high91 Ų9156.5 Ų56.564%0.63633%0.332SS*.EExtended strand (participates in β ladder)trans-109.4137.6-177.4-63.10000112V548 S549V548-S583 CarbonylContact O-C 3.58Å; V548-S583 WeakPolarHBondContact O-CA 3.37Å; S549-S583 PolarHBondContact OG-OG 3.11Å
584F92.8Very high92.9Very high22 Ų2255.9 Ų55.910%0.09633%0.327CS..EExtended strand (participates in β ladder)trans-126.9100.4-173.9-56-88.9000109.5V548 V550 L566 T573 F575 Q582 L587V548-F584 PolarHBondContact N-O 2.98Å; V548-F584 PolarHBondContact O-N 3.12Å; V550-F584 HydrophobicContact CB-CE2 4.38Å; L566-F584 HydrophobicContact CD1-CB 4.18Å; L566-F584 HydrophobicContact CD1-CD1 3.8Å; L566-F584 HydrophobicContact CD1-CD2 3.28Å; L566-F584 HydrophobicContact CD1-CE1 3.98Å; L566-F584 HydrophobicContact CD1-CE2 3.5Å; L566-F584 VanDerWaalsContact CD1-CE2 3.5Å; L566-F584 HydrophobicContact CD1-CG 3.46Å; L566-F584 VanDerWaalsContact CD1-CG 3.46Å; L566-F584 HydrophobicContact CD1-CZ 3.85Å; T573-F584 HydrophobicContact CG2-CD1 4.15Å; T573-F584 HydrophobicContact CG2-CE1 4.18Å; F575-F584 HydrophobicContact CB-CE1 3.98Å; F575-F584 HydrophobicContact CB-CE2 4.5Å; F575-F584 HydrophobicContact CB-CZ 3.46Å; F575-F584 VanDerWaalsContact CB-CZ 3.46Å; F575-F584 HydrophobicContact CD1-CZ 4.5Å; F575-F584 HydrophobicContact CG-CZ 4.01Å; Q582-F584 HydrophobicContact CB-CE2 3.66Å; Q582-F584 HydrophobicContact CB-CZ 3.69Å; Q582-F584 VanDerWaalsContact O-CE2 3.27Å; Q582-F584 WeakPolarHBondContact O-CE2 3.2Å; F584-L587 HydrophobicContact CB-CD1 3.94Å; F584-L587 HydrophobicContact CB-CG 4.46Å
585S85.9Confident93Very high97 Ų9749.1 Ų49.168%0.67830%0.296SS*.SBendtrans-84-18.1174.353.70000112.9L587 S588S585-L587 PolarHBondContact O-N 3.19Å; S585-S588 VanDerWaalsContact O-CB 3.23Å; S585-S588 WeakPolarHBondContact O-CB 3.17Å; S585-S588 PolarHBondContact O-N 2.94Å; S585-S588 VanDerWaalsContact O-N 3.08Å
586S85.3Confident93.1Very high65 Ų6548.9 Ų48.946%0.45530%0.297SS..THydrogen-bonded Turntrans-58.3-29.1177.851.30000112.6M571 S588M571-S586 WeakPolarHBondContact CE-O 3.49Å; S586-S588 VanDerWaalsContact C-N 3.26Å; S586-S588 PolarHBondContact O-N 2.81Å
587L86.4Confident93.2Very high0 Ų046.7 Ų46.70%028%0.282CS..THydrogen-bonded Turntrans-80.9-1.7-178.9-62.5168.9000113.8I545 V548 L566 M571 F584 S585 S590 L593I545-L587 HydrophobicContact CD1-CB 4.48Å; I545-L587 HydrophobicContact CG2-CB 4.44Å; V548-L587 HydrophobicContact CB-CD1 4.33Å; V548-L587 HydrophobicContact CG2-CD1 4.42Å; L566-L587 HydrophobicContact CB-CD1 4.12Å; L566-L587 HydrophobicContact CD1-CD1 3.87Å; M571-L587 HydrophobicContact CE-CD2 3.69Å; M571-L587 HydrophobicContact CE-CG 4.35Å; F584-L587 HydrophobicContact CB-CD1 3.94Å; F584-L587 HydrophobicContact CB-CG 4.46Å; S585-L587 PolarHBondContact O-N 3.19Å; L587-S590 VanDerWaalsContact O-CB 3.3Å; L587-S590 WeakPolarHBondContact O-CB 3.49Å; L587-S590 PolarHBondContact O-N 3.45Å; L587-S590 PolarHBondContact O-OG 3.42Å; L587-L593 HydrophobicContact CD1-CD1 3.86Å
588S90.8Very high93.4Very high55 Ų5549.5 Ų49.539%0.38529%0.292SS..THydrogen-bonded Turntrans-58.2138.4-179.9-163.70000111.8I545 H546 S585 S586 S590I545-S588 CarbonylContact O-C 3.51Å; I545-S588 WeakPolarHBondContact O-CA 3.33Å; I545-S588 PolarHBondContact O-OG 2.81Å; H546-S588 VanDerWaalsContact O-CB 3.3Å; H546-S588 WeakPolarHBondContact O-CB 3.37Å; H546-S588 PolarHBondContact O-OG 2.76Å; S585-S588 VanDerWaalsContact O-CB 3.23Å; S585-S588 WeakPolarHBondContact O-CB 3.17Å; S585-S588 PolarHBondContact O-N 2.94Å; S585-S588 VanDerWaalsContact O-N 3.08Å; S586-S588 VanDerWaalsContact C-N 3.26Å; S586-S588 PolarHBondContact O-N 2.81Å; S588-S590 VanDerWaalsContact C-N 3.3Å; S588-S590 PolarHBondContact O-N 3.49Å
589G89.9Confident93.6Very high33 Ų3345.5 Ų45.534%0.3427%0.271SS..THydrogen-bonded Turntrans84.2-6.1-176.500000115.1K544 I545K544-G589 WeakPolarHBondContact CD-O 3.13Å; K544-G589 WeakPolarHBondContact CG-O 3.48Å; I545-G589 PolarHBondContact O-N 2.75Å
590S92.6Very high93.8Very high28 Ų2845.3 Ų45.320%0.19626%0.264CS..  trans-80.4150.2176.7-470000111.8K544 I545 S568 L587 S588K544-S590 CarbonylContact C-O 3.52Å; K544-S590 WeakPolarHBondContact CA-O 3.21Å; I545-S590 WeakPolarHBondContact CG1-O 3.38Å; I545-S590 PolarHBondContact N-O 3.49Å; S568-S590 WeakPolarHBondContact OG-CB 3.34Å; S568-S590 PolarHBondContact OG-OG 3.2Å; L587-S590 VanDerWaalsContact O-CB 3.3Å; L587-S590 WeakPolarHBondContact O-CB 3.49Å; L587-S590 PolarHBondContact O-N 3.45Å; L587-S590 PolarHBondContact O-OG 3.42Å; S588-S590 VanDerWaalsContact C-N 3.3Å; S588-S590 PolarHBondContact O-N 3.49Å
591S91.3Very high93.8Very high47 Ų4738.2 Ų38.233%0.32925%0.247SC..SBendtrans-104.30.7178.860.70000113.7L538 A539L538-S591 WeakPolarHBondContact CA-O 3.32Å; L538-S591 WeakPolarHBondContact CB-O 3.38Å; L538-S591 PolarHBondContact N-O 3.33Å; A539-S591 PolarHBondContact N-O 3.35Å
592E93.6Very high93.8Very high53 Ų5334.6 Ų34.625%0.24823%0.232CC..EExtended strand (participates in β ladder)trans-138.9145.9179.5-177.9-177.8-136.900109.5K535 F536 S568K535-E592 WeakPolarHBondContact CE-OE1 3.47Å; K535-E592 IonicContact NZ-OE1 2.62Å; K535-E592 PolarHBondContact NZ-OE1 2.94Å; F536-E592 WeakPolarHBondContact O-CA 3.44Å; S568-E592 WeakPolarHBondContact CB-O 3.46Å; S568-E592 PolarHBondContact OG-O 3.16Å
593L95.4Very high93.2Very high0 Ų036.5 Ų36.50%024%0.244CC..EExtended strand (participates in β ladder)trans-136.6135.1169.5173.668.3000109.8K535 F536 I545 V548 L566 L587 V595 V627 I629K535-L593 CarbonylContact C-O 3.58Å; K535-L593 WeakPolarHBondContact CA-O 3.2Å; F536-L593 HydrophobicContact CB-CB 4.21Å; F536-L593 HydrophobicContact CD2-CB 4.34Å; F536-L593 HydrophobicContact CD2-CD2 4.09Å; F536-L593 HydrophobicContact CD2-CG 4.23Å; F536-L593 PolarHBondContact N-O 3.31Å; F536-L593 PolarHBondContact O-N 3.36Å; I545-L593 HydrophobicContact CD1-CB 3.98Å; V548-L593 HydrophobicContact CG1-CD2 3.89Å; V548-L593 HydrophobicContact CG2-CD2 3.89Å; L566-L593 HydrophobicContact CB-CD1 4.28Å; L566-L593 HydrophobicContact CD2-CD1 4.25Å; L587-L593 HydrophobicContact CD1-CD1 3.86Å; L593-V595 HydrophobicContact CD2-CG2 4.2Å; L593-V595 HydrophobicContact CG-CG2 4.27Å; L593-V627 HydrophobicContact CD2-CG1 4.36Å; L593-I629 HydrophobicContact CD2-CD1 3.75Å; L593-I629 HydrophobicContact CD2-CG1 4.31Å
594I97Very high92.7Very high26 Ų2635 Ų3513%0.13324%0.242CC..EExtended strand (participates in β ladder)trans-120.3126.3167-57.7172.3000108.3W534 K535 L566 Q567W534-I594 CarbonylContact O-C 3.53Å; W534-I594 VanDerWaalsContact O-CA 3.29Å; W534-I594 WeakPolarHBondContact O-CA 3.4Å; K535-I594 HydrophobicContact CB-CG1 4.31Å; K535-I594 HydrophobicContact CD-CG1 4.44Å; K535-I594 HydrophobicContact CG-CG1 4.12Å; L566-I594 CarbonylContact C-O 3.55Å; L566-I594 WeakPolarHBondContact CA-O 3.31Å; Q567-I594 HydrophobicContact CB-CB 4.17Å; Q567-I594 PolarHBondContact N-O 3.03Å; Q567-I594 PolarHBondContact O-N 3.4Å
595V97.8Very high91.7Very high0 Ų041.2 Ų41.20%028%0.277CS..EExtended strand (participates in β ladder)trans-101.9125.8169.3-170.90000107.2S533 W534 F536 V550 W564 L566 F575 L593 F625 V627S533-V595 CarbonylContact C-O 3.32Å; S533-V595 WeakPolarHBondContact CA-O 3.5Å; S533-V595 WeakPolarHBondContact CB-O 3.3Å; W534-V595 HydrophobicContact CE3-CB 4.42Å; W534-V595 PolarHBondContact N-O 3.34Å; W534-V595 PolarHBondContact O-N 3.01Å; F536-V595 HydrophobicContact CE2-CG2 4.03Å; V550-V595 HydrophobicContact CG1-CG1 4.2Å; V550-V595 HydrophobicContact CG2-CG2 4.45Å; W564-V595 HydrophobicContact CE3-CG1 4.38Å; W564-V595 HydrophobicContact CZ3-CG1 4.29Å; L566-V595 HydrophobicContact CD2-CB 4.08Å; L566-V595 HydrophobicContact CD2-CG1 3.86Å; L566-V595 HydrophobicContact CD2-CG2 3.62Å; F575-V595 HydrophobicContact CE1-CG1 4.15Å; F575-V595 HydrophobicContact CZ-CG1 3.94Å; L593-V595 HydrophobicContact CD2-CG2 4.2Å; L593-V595 HydrophobicContact CG-CG2 4.27Å; V595-F625 HydrophobicContact CB-CZ 4.27Å; V595-F625 HydrophobicContact CG1-CE2 3.88Å; V595-F625 HydrophobicContact CG1-CZ 3.95Å; V595-V627 HydrophobicContact CG2-CG2 4.21Å
596A97.6Very high91.4Very high14 Ų1439.7 Ų39.712%0.11626%0.263CS..EExtended strand (participates in β ladder)trans-134.3148.2-175.500000112.4I532 W564 S565I532-A596 CarbonylContact O-C 3.46Å; I532-A596 WeakPolarHBondContact O-CA 3.33Å; W564-A596 WeakPolarHBondContact CA-O 3.42Å; S565-A596 PolarHBondContact N-O 2.95Å; S565-A596 PolarHBondContact O-N 3.45Å
597A98.3Very high91.5Very high3 Ų337.9 Ų37.93%0.02525%0.251CS..EExtended strand (participates in β ladder)trans-126.7133.5169.700000110.8R531 I532 C563 W564 L613R531-A597 WeakPolarHBondContact CA-O 3.49Å; I532-A597 HydrophobicContact CG2-CB 3.89Å; I532-A597 PolarHBondContact N-O 3.07Å; I532-A597 PolarHBondContact O-N 3.43Å; C563-A597 CarbonylContact O-C 3.58Å; C563-A597 VanDerWaalsContact O-CA 3.3Å; C563-A597 WeakPolarHBondContact O-CA 3.39Å; W564-A597 HydrophobicContact CD2-CB 3.83Å; W564-A597 HydrophobicContact CE3-CB 3.71Å; W564-A597 HydrophobicContact CH2-CB 3.75Å; W564-A597 HydrophobicContact CZ2-CB 3.88Å; W564-A597 HydrophobicContact CZ3-CB 3.69Å; A597-L613 HydrophobicContact CB-CD1 3.79Å; A597-L613 HydrophobicContact CB-CD2 4.12Å
598E98.3Very high91.5Very high69 Ų6939 Ų3932%0.32226%0.255SS..EExtended strand (participates in β ladder)trans-111.3130.3168.6-173.4174.8106.800109.9V529 G530 R531 V562 C563V529-E598 HydrophobicContact CG1-CG 3.71Å; G530-E598 WeakPolarHBondContact O-CA 3.23Å; R531-E598 HydrophobicContact CG-CG 4.2Å; R531-E598 IonicContact CZ-OE2 3.82Å; R531-E598 VanDerWaalsContact CZ-OE2 3.25Å; R531-E598 IonicContact NE-OE2 3.43Å; R531-E598 PolarHBondContact NE-OE2 2.97Å; R531-E598 IonicContact NH2-OE2 3.51Å; R531-E598 PolarHBondContact NH2-OE2 3.19Å; V562-E598 CarbonylContact C-O 3.57Å; V562-E598 WeakPolarHBondContact CA-O 3.27Å; C563-E598 PolarHBondContact N-O 3.3Å; C563-E598 PolarHBondContact O-N 3.47Å
599L98.3Very high91.5Very high0 Ų038.7 Ų38.70%025%0.248CC..EExtended strand (participates in β ladder)trans-109.1129.8178.1-64.786.2000108.9V508 R523 V529 G530 V562 S611 L613V508-L599 HydrophobicContact CG1-CD1 4.05Å; R523-L599 WeakPolarHBondContact CD-O 3.47Å; R523-L599 HydrophobicContact CG-CB 3.65Å; R523-L599 HydrophobicContact CG-CD2 4.2Å; V529-L599 CarbonylContact C-O 3.57Å; V529-L599 VanDerWaalsContact CA-O 3.31Å; V529-L599 WeakPolarHBondContact CA-O 3.38Å; G530-L599 PolarHBondContact N-O 3.45Å; G530-L599 PolarHBondContact O-N 3.42Å; V562-L599 HydrophobicContact CG2-CG 4.48Å; L599-S611 WeakPolarHBondContact CD2-O 3.26Å; L599-L613 HydrophobicContact CD1-CD1 3.97Å; L599-L613 HydrophobicContact CD1-CD2 4.12Å; L599-L613 HydrophobicContact CD1-CG 4.09Å; L599-L613 HydrophobicContact CD2-CD2 4.28Å; L599-L613 HydrophobicContact CD2-CG 4.12Å; L599-L613 HydrophobicContact CG-CD2 4.11Å; L599-L613 HydrophobicContact CG-CG 4.33Å
600S97.5Very high91.7Very high30 Ų3037.7 Ų37.721%0.2123%0.234CC..EExtended strand (participates in β ladder)trans-154.1179.5179.864.50000112.3R523 K561R523-S600 PolarHBondContact NH1-O 3.2Å; R523-S600 VanDerWaalsContact NH1-O 3.12Å; K561-S600 PolarHBondContact N-O 3.47Å; K561-S600 PolarHBondContact O-N 3.48Å
601G95.6Very high91.9Very high32 Ų3236.3 Ų36.333%0.3323%0.225SC..  trans71.5-160.9-179.400000114R523R523-G601 VanDerWaalsContact CZ-O 3.23Å; R523-G601 PolarHBondContact NH1-O 3.4Å; R523-G601 PolarHBondContact NH2-O 2.95Å
602G93.2Very high92.3Very high16 Ų1634.3 Ų34.317%0.16521%0.21CC..  trans95.5161.3-174.100000112.1S559 S607 H610S559-G602 PolarHBondContact O-N 3.07Å; S559-G602 WeakPolarHBondContact OG-CA 3.29Å; S559-G602 PolarHBondContact OG-N 3.35Å; S559-G602 PolarHBondContact OG-O 3.31Å; G602-S607 VanDerWaalsContact C-CB 3.43Å; G602-H610 WeakPolarHBondContact CA-ND1 3.38Å
603D85.3Confident92.5Very high85 Ų8531.8 Ų31.846%0.45520%0.198SC..  trans-125.6138-168.2-56.6-39.7000110.4Q558 S559 H610Q558-D603 VanDerWaalsContact CB-OD2 3.28Å; Q558-D603 WeakPolarHBondContact CB-OD2 3.41Å; S559-D603 WeakPolarHBondContact CB-OD1 3.48Å; S559-D603 PolarHBondContact N-OD2 3.09Å; S559-D603 PolarHBondContact OG-OD1 2.69Å; S559-D603 PolarHBondContact OG-OD2 3.44Å; D603-H610 PolarHBondContact N-ND1 3.43Å; D603-H610 VanDerWaalsContact N-ND1 3.13Å; D603-H610 PolarHBondContact O-CE1 3.38Å
604G83.6Confident92.6Very high59 Ų5931.8 Ų31.861%0.60820%0.198SC*.SBendtrans67.6-163.9176.300000115T606 S607G604-T606 PolarHBondContact O-N 2.95Å; G604-S607 VanDerWaalsContact O-CB 3.22Å; G604-S607 WeakPolarHBondContact O-CB 3.28Å; G604-S607 PolarHBondContact O-N 3.46Å; G604-S607 PolarHBondContact O-OG 3.07Å
605D73.1Confident92.6Very high153 Ų15333.2 Ų33.282%0.81820%0.202SC*.THydrogen-bonded Turntrans-67-21-174.7-60-25.4000112.6
606T79.4Confident92.5Very high65 Ų6533.4 Ų33.440%0.39920%0.203SC..THydrogen-bonded Turntrans-93.67.8175.860.20000113.8G604 W608 Q609 H610G604-T606 PolarHBondContact O-N 2.95Å; T606-W608 PolarHBondContact O-N 3.46Å; T606-Q609 WeakPolarHBondContact O-CG 3.44Å; T606-Q609 PolarHBondContact O-N 3.39Å; T606-H610 PolarHBondContact O-CD2 3.07Å; T606-H610 PolarHBondContact O-NE2 3.14Å; T606-H610 PolarHBondContact OG1-NE2 3.23Å
607S86.4Confident92.3Very high27 Ų2733.3 Ų33.319%0.18920%0.203CC..G310 helixtrans-52.5-29.6-177.456.40000114.3R523 G602 G604 Q609 H610R523-S607 PolarHBondContact NH2-O 3.43Å; G602-S607 VanDerWaalsContact C-CB 3.43Å; G604-S607 VanDerWaalsContact O-CB 3.22Å; G604-S607 WeakPolarHBondContact O-CB 3.28Å; G604-S607 PolarHBondContact O-N 3.46Å; G604-S607 PolarHBondContact O-OG 3.07Å; S607-Q609 VanDerWaalsContact C-N 3.26Å; S607-Q609 PolarHBondContact O-N 3.04Å; S607-H610 WeakPolarHBondContact O-CB 3.34Å; S607-H610 PolarHBondContact O-N 3.45Å; S607-H610 VanDerWaalsContact O-N 3.17Å
608W86.4Confident91.8Very high23 Ų2335.9 Ų35.99%0.08722%0.216CC..G310 helixtrans-59.6-31179.268.3-94.9000114F509 K511 A522 R523 E525 T606F509-W608 AromaticContact CE1-CE3 3.69Å; F509-W608 HydrophobicContact CE1-CE3 3.69Å; F509-W608 HydrophobicContact CE1-CH2 4.4Å; F509-W608 AromaticContact CE1-CZ3 3.54Å; F509-W608 HydrophobicContact CE1-CZ3 3.54Å; F509-W608 AromaticContact CZ-CE3 3.98Å; F509-W608 HydrophobicContact CZ-CE3 3.98Å; F509-W608 AromaticContact CZ-CH2 3.84Å; F509-W608 HydrophobicContact CZ-CH2 3.84Å; F509-W608 AromaticContact CZ-CZ3 3.34Å; F509-W608 HydrophobicContact CZ-CZ3 3.34Å; K511-W608 HydrophobicContact CD-CH2 4.21Å; K511-W608 HydrophobicContact CG-CH2 4.35Å; K511-W608 HydrophobicContact CG-CZ3 4.49Å; A522-W608 HydrophobicContact CB-CE3 3.99Å; A522-W608 HydrophobicContact CB-CZ3 4.05Å; R523-W608 HydrophobicContact CB-CB 4.2Å; R523-W608 PolarHBondContact N-O 3.28Å; R523-W608 VanDerWaalsContact O-CE3 3.24Å; E525-W608 HydrophobicContact CB-CD2 4.48Å; E525-W608 HydrophobicContact CB-CG 4.17Å; E525-W608 HydrophobicContact CG-CG 4.41Å; T606-W608 PolarHBondContact O-N 3.46Å
609Q89.9Confident91.3Very high50 Ų5039.1 Ų39.123%0.23424%0.236CC..G310 helixtrans-94.90.9-179.878.9-170.6-17.300113.5T606 S607 S611 Q612T606-Q609 WeakPolarHBondContact O-CG 3.44Å; T606-Q609 PolarHBondContact O-N 3.39Å; S607-Q609 VanDerWaalsContact C-N 3.26Å; S607-Q609 PolarHBondContact O-N 3.04Å; Q609-S611 VanDerWaalsContact C-N 3.31Å; Q609-S611 PolarHBondContact O-N 3.42Å; Q609-Q612 WeakPolarHBondContact O-CG 3.39Å; Q609-Q612 PolarHBondContact O-NE2 3.18Å
610H95.8Very high90.7Very high11 Ų1143.4 Ų43.45%0.05126%0.255CS..SBendtrans-80.6-13.6-176.3-68.3-171.2000113.1T556 F557 Q558 G602 D603 T606 S607T556-H610 CarbonylContact C-O 3.59Å; T556-H610 VanDerWaalsContact CA-O 3.27Å; T556-H610 WeakPolarHBondContact CA-O 3.42Å; F557-H610 HydrophobicContact CB-CB 4.5Å; F557-H610 PolarHBondContact N-O 3.29Å; F557-H610 WeakPolarHBondContact O-CB 3.42Å; Q558-H610 PolarHBondContact OE1-CD2 3.05Å; Q558-H610 VanDerWaalsContact OE1-CD2 3.25Å; Q558-H610 PolarHBondContact OE1-CE1 3.42Å; Q558-H610 PolarHBondContact OE1-ND1 3.12Å; Q558-H610 PolarHBondContact OE1-NE2 2.82Å; G602-H610 WeakPolarHBondContact CA-ND1 3.38Å; D603-H610 PolarHBondContact N-ND1 3.43Å; D603-H610 VanDerWaalsContact N-ND1 3.13Å; D603-H610 PolarHBondContact O-CE1 3.38Å; T606-H610 PolarHBondContact O-CD2 3.07Å; T606-H610 PolarHBondContact O-NE2 3.14Å; T606-H610 PolarHBondContact OG1-NE2 3.23Å; S607-H610 WeakPolarHBondContact O-CB 3.34Å; S607-H610 PolarHBondContact O-N 3.45Å; S607-H610 VanDerWaalsContact O-N 3.17Å
611S97.1Very high90.2Very high0 Ų049.2 Ų49.20%028%0.279CS..EExtended strand (participates in β ladder)trans-117.8116.1171.450.30000108R523 K561 L599 Q609R523-S611 PolarHBondContact NH1-OG 2.68Å; K561-S611 WeakPolarHBondContact O-CB 3.1Å; L599-S611 WeakPolarHBondContact CD2-O 3.26Å; Q609-S611 VanDerWaalsContact C-N 3.31Å; Q609-S611 PolarHBondContact O-N 3.42Å
612Q97.8Very high89.8Confident5 Ų554.8 Ų54.82%0.02330%0.297CS..EExtended strand (participates in β ladder)trans-128.8125.2-172.1-58.5-176.92.200110.2Y520 I521 S554 K555 F557 Q609 R615Y520-Q612 HydrophobicContact CD2-CB 4.07Å; Y520-Q612 HydrophobicContact CD2-CG 3.72Å; Y520-Q612 HydrophobicContact CE2-CG 4.01Å; Y520-Q612 HydrophobicContact CG-CB 4.1Å; Y520-Q612 HydrophobicContact CG-CG 4.07Å; I521-Q612 CarbonylContact O-C 3.57Å; I521-Q612 WeakPolarHBondContact O-CA 3.3Å; S554-Q612 CarbonylContact C-O 3.59Å; S554-Q612 VanDerWaalsContact CA-O 3.26Å; S554-Q612 WeakPolarHBondContact CA-O 3.16Å; K555-Q612 PolarHBondContact N-O 3.15Å; K555-Q612 WeakPolarHBondContact O-CB 3.32Å; K555-Q612 PolarHBondContact O-N 3.02Å; F557-Q612 HydrophobicContact CE2-CG 4.43Å; Q609-Q612 WeakPolarHBondContact O-CG 3.39Å; Q609-Q612 PolarHBondContact O-NE2 3.18Å; Q612-R615 HydrophobicContact CB-CB 4.39Å
613L98.3Very high89.7Confident0 Ų055.3 Ų55.30%030%0.299CS..EExtended strand (participates in β ladder)trans-89.1145.7167.1-43.3-176.6000109.2Y520 I521 I532 V562 W564 A597 L599 R615Y520-L613 CarbonylContact C-O 3.58Å; Y520-L613 WeakPolarHBondContact CA-O 3.32Å; Y520-L613 WeakPolarHBondContact CB-O 3.18Å; I521-L613 HydrophobicContact CB-CB 4.21Å; I521-L613 PolarHBondContact N-O 2.81Å; I521-L613 PolarHBondContact O-N 3.5Å; I532-L613 HydrophobicContact CG2-CD1 3.52Å; V562-L613 HydrophobicContact CB-CD2 4.41Å; V562-L613 HydrophobicContact CG1-CD2 3.42Å; V562-L613 VanDerWaalsContact CG1-CD2 3.42Å; V562-L613 HydrophobicContact CG2-CD2 4.05Å; W564-L613 HydrophobicContact CH2-CD1 4.2Å; W564-L613 HydrophobicContact CZ2-CB 4.37Å; W564-L613 HydrophobicContact CZ2-CD1 4.08Å; W564-L613 HydrophobicContact CZ2-CD2 3.78Å; W564-L613 HydrophobicContact CZ2-CG 4.29Å; A597-L613 HydrophobicContact CB-CD1 3.79Å; A597-L613 HydrophobicContact CB-CD2 4.12Å; L599-L613 HydrophobicContact CD1-CD1 3.97Å; L599-L613 HydrophobicContact CD1-CD2 4.12Å; L599-L613 HydrophobicContact CD1-CG 4.09Å; L599-L613 HydrophobicContact CD2-CD2 4.28Å; L599-L613 HydrophobicContact CD2-CG 4.12Å; L599-L613 HydrophobicContact CG-CD2 4.11Å; L599-L613 HydrophobicContact CG-CG 4.33Å; L613-R615 PolarHBondContact O-N 3.22Å; L613-R615 VanDerWaalsContact O-N 3.17Å
614F97.5Very high90.1Very high0 Ų051.2 Ų51.20%028%0.278CS..EExtended strand (participates in β ladder)trans59.729.8168.3-44.8-36.4000114.2Y478 A480 I521 W534 N553 W564 Q616 S624 F625Y478-F614 AromaticContact CD1-CD2 3.95Å; Y478-F614 HydrophobicContact CD1-CD2 3.95Å; Y478-F614 HydrophobicContact CD1-CE2 4.1Å; Y478-F614 HydrophobicContact CD1-CG 4.49Å; Y478-F614 AromaticContact CE1-CD2 3.76Å; Y478-F614 HydrophobicContact CE1-CD2 3.76Å; Y478-F614 HydrophobicContact CE1-CE2 4.21Å; Y478-F614 HydrophobicContact CE1-CG 4.45Å; A480-F614 HydrophobicContact CB-CB 3.85Å; A480-F614 WeakPolarHBondContact CB-O 3.48Å; I521-F614 HydrophobicContact CD1-CD2 3.75Å; I521-F614 HydrophobicContact CD1-CE2 3.88Å; I521-F614 HydrophobicContact CG1-CD2 4.24Å; W534-F614 AromaticContact CH2-CE2 3.96Å; W534-F614 HydrophobicContact CH2-CE2 3.96Å; W534-F614 AromaticContact CH2-CZ 3.67Å; W534-F614 HydrophobicContact CH2-CZ 3.67Å; W534-F614 HydrophobicContact CZ2-CE2 4.07Å; W534-F614 HydrophobicContact CZ2-CZ 4.05Å; N553-F614 WeakPolarHBondContact O-CD1 3.47Å; N553-F614 PolarHBondContact O-N 3.23Å; W564-F614 AromaticContact CH2-CE1 3.64Å; W564-F614 HydrophobicContact CH2-CE1 3.64Å; W564-F614 AromaticContact CH2-CZ 3.65Å; W564-F614 HydrophobicContact CH2-CZ 3.65Å; W564-F614 AromaticContact CZ2-CE1 3.8Å; W564-F614 HydrophobicContact CZ2-CE1 3.8Å; W564-F614 HydrophobicContact CZ2-CZ 4.19Å; F614-Q616 PolarHBondContact O-N 3.04Å; F614-Q616 VanDerWaalsContact O-N 3.07Å; F614-S624 VanDerWaalsContact CD1-O 3.26Å; F614-S624 WeakPolarHBondContact CD1-O 3.34Å; F614-F625 HydrophobicContact CD1-CB 4.21Å; F614-F625 HydrophobicContact CE1-CB 3.57Å; F614-F625 HydrophobicContact CE1-CD2 4.19Å; F614-F625 HydrophobicContact CE1-CG 4.12Å; F614-F625 HydrophobicContact CZ-CB 3.77Å; F614-F625 HydrophobicContact CZ-CD2 4.28Å; F614-F625 HydrophobicContact CZ-CG 4.02Å
615R96.6Very high90.8Very high56 Ų5648.5 Ų48.521%0.21125%0.249CC..EExtended strand (participates in β ladder)trans-60.7112.2178.3-174.5-171.5-179.469.92.7110.6E513 M518 V519 Y520 K555 Q612 L613E513-R615 IonicContact OE2-NH1 2.8Å; E513-R615 IonicContact OE2-NH2 3.34Å; M518-R615 HydrophobicContact CE-CG 3.48Å; M518-R615 VanDerWaalsContact CE-CG 3.48Å; V519-R615 VanDerWaalsContact O-CA 3.3Å; V519-R615 WeakPolarHBondContact O-CA 3.36Å; Y520-R615 HydrophobicContact CD1-CG 4.26Å; K555-R615 HydrophobicContact CB-CB 4.04Å; Q612-R615 HydrophobicContact CB-CB 4.39Å; L613-R615 PolarHBondContact O-N 3.22Å; L613-R615 VanDerWaalsContact O-N 3.17Å
616Q95.6Very high92Very high4 Ų442.5 Ų42.52%0.01922%0.216CC..EExtended strand (participates in β ladder)trans-143.7155.6-179.4-73.8-174.6-50.100111.4P481 M518 V519 F614 E620 E622 S624P481-Q616 HydrophobicContact CG-CB 4.02Å; M518-Q616 WeakPolarHBondContact CA-O 3.3Å; M518-Q616 WeakPolarHBondContact CE-O 3.26Å; V519-Q616 WeakPolarHBondContact CG1-O 3.49Å; V519-Q616 PolarHBondContact N-O 3.29Å; V519-Q616 PolarHBondContact O-N 3.48Å; F614-Q616 PolarHBondContact O-N 3.04Å; F614-Q616 VanDerWaalsContact O-N 3.07Å; Q616-E620 WeakPolarHBondContact CB-OE2 3.19Å; Q616-E620 WeakPolarHBondContact CG-OE2 3.35Å; Q616-E622 PolarHBondContact NE2-O 3.35Å; Q616-S624 PolarHBondContact OE1-OG 3.09Å
617G93.9Very high92.8Very high11 Ų1139.4 Ų39.411%0.11320%0.197CC..EExtended strand (participates in β ladder)trans-69.8146.6169.100000112.2P481 K517 N619 E620P481-G617 VanDerWaalsContact CG-O 3.31Å; P481-G617 WeakPolarHBondContact CG-O 3.23Å; K517-G617 CarbonylContact O-C 3.45Å; K517-G617 WeakPolarHBondContact O-CA 3.32Å; G617-N619 PolarHBondContact O-N 2.74Å; G617-E620 VanDerWaalsContact N-CD 3.27Å; G617-E620 PolarHBondContact N-OE1 2.88Å; G617-E620 WeakPolarHBondContact O-CB 3.4Å; G617-E620 PolarHBondContact O-N 3.48Å
618L88.1Confident93.4Very high57 Ų5739.2 Ų39.230%0.29820%0.195SC..THydrogen-bonded Turntrans-60-18.5-178-72.1175.9000114.7V512 K517 V519V512-L618 HydrophobicContact CG1-CD1 4.27Å; V512-L618 HydrophobicContact CG1-CD2 4.14Å; K517-L618 HydrophobicContact CB-CD1 4.19Å; K517-L618 HydrophobicContact CB-CG 4.47Å; K517-L618 PolarHBondContact O-N 3.11Å; V519-L618 HydrophobicContact CB-CD2 4.05Å; V519-L618 HydrophobicContact CG1-CD2 4.23Å
619N87.6Confident93.9Very high138 Ų13838.1 Ų38.174%0.73819%0.191SC*.THydrogen-bonded Turntrans-100.8-3.2179.8-63.6-22.2000113.4G617G617-N619 PolarHBondContact O-N 2.74Å
620E86.9Confident94.2Very high89 Ų8939.4 Ų39.442%0.41620%0.197SC..  trans-71.8142.4179.1-70.3174.2-151.600110.7Q616 G617Q616-E620 WeakPolarHBondContact CB-OE2 3.19Å; Q616-E620 WeakPolarHBondContact CG-OE2 3.35Å; G617-E620 VanDerWaalsContact N-CD 3.27Å; G617-E620 PolarHBondContact N-OE1 2.88Å; G617-E620 WeakPolarHBondContact O-CB 3.4Å; G617-E620 PolarHBondContact O-N 3.48Å
621Q85.3Confident94.2Very high153 Ų15339.3 Ų39.372%0.71520%0.197SC*.  trans-109.5-8.2-176.7-62.6-142.624.700113.9
622E88Confident94.1Very high148 Ų14842.3 Ų42.369%0.69221%0.211SC*.SBendtrans-71148.6-179.5-63.5-177.9177.100111.3Q616Q616-E622 PolarHBondContact NE2-O 3.35Å
623A90.2Very high93.7Very high27 Ų2747 Ų4722%0.22324%0.236CC..  trans-65.7138.5174.400000109.9R477 M551R477-A623 HydrophobicContact CB-CB 4.19Å; R477-A623 HydrophobicContact CG-CB 4.25Å; M551-A623 HydrophobicContact CE-CB 4.05Å; M551-A623 WeakPolarHBondContact CE-O 3.3Å
624S94.5Very high92.8Very high0 Ų051.3 Ų51.30%027%0.271CS..SBendtrans-90.2-20.3176.7-19.80000112.2Y478 A480 N553 F614 Q616Y478-S624 PolarHBondContact O-N 3.36Å; A480-S624 WeakPolarHBondContact CB-OG 3.27Å; A480-S624 PolarHBondContact N-OG 2.93Å; N553-S624 PolarHBondContact N-O 3.07Å; N553-S624 VanDerWaalsContact N-O 3.1Å; F614-S624 VanDerWaalsContact CD1-O 3.26Å; F614-S624 WeakPolarHBondContact CD1-O 3.34Å; Q616-S624 PolarHBondContact OE1-OG 3.09Å
625F97.7Very high92.6Very high1 Ų153.9 Ų53.90%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-151.2138.3-179.7175.8-116.6000109.5R477 Y478 W534 V550 M551 A552 W564 V595 F614 V627R477-F625 CarbonylContact C-O 3.56Å; R477-F625 VanDerWaalsContact CA-O 3.32Å; R477-F625 WeakPolarHBondContact CA-O 3.44Å; Y478-F625 PolarHBondContact N-O 3.31Å; Y478-F625 PolarHBondContact O-N 2.89Å; W534-F625 AromaticContact CD2-CE1 3.83Å; W534-F625 HydrophobicContact CD2-CE1 3.83Å; W534-F625 AromaticContact CD2-CZ 3.96Å; W534-F625 HydrophobicContact CD2-CZ 3.96Å; W534-F625 AromaticContact CE2-CE1 3.99Å; W534-F625 HydrophobicContact CE3-CE1 4.22Å; W534-F625 AromaticContact CE3-CZ 3.9Å; W534-F625 HydrophobicContact CE3-CZ 3.9Å; W534-F625 HydrophobicContact CG-CE1 4.06Å; W534-F625 HydrophobicContact CG-CZ 4.34Å; W534-F625 HydrophobicContact CZ3-CZ 4.41Å; V550-F625 HydrophobicContact CG1-CE2 4.02Å; M551-F625 CarbonylContact O-C 3.51Å; M551-F625 WeakPolarHBondContact O-CA 3.36Å; M551-F625 VanDerWaalsContact O-CD2 3.24Å; M551-F625 WeakPolarHBondContact O-CD2 3.43Å; A552-F625 HydrophobicContact CB-CD2 4.02Å; W564-F625 HydrophobicContact CZ3-CE2 4.27Å; V595-F625 HydrophobicContact CB-CZ 4.27Å; V595-F625 HydrophobicContact CG1-CE2 3.88Å; V595-F625 HydrophobicContact CG1-CZ 3.95Å; F614-F625 HydrophobicContact CD1-CB 4.21Å; F614-F625 HydrophobicContact CE1-CB 3.57Å; F614-F625 HydrophobicContact CE1-CD2 4.19Å; F614-F625 HydrophobicContact CE1-CG 4.12Å; F614-F625 HydrophobicContact CZ-CB 3.77Å; F614-F625 HydrophobicContact CZ-CD2 4.28Å; F614-F625 HydrophobicContact CZ-CG 4.02Å; F625-V627 HydrophobicContact CE1-CG2 3.77Å; F625-V627 HydrophobicContact CE2-CG2 3.89Å; F625-V627 HydrophobicContact CZ-CG2 3.33Å
626E98.1Very high92.4Very high27 Ų2753.8 Ų53.813%0.12629%0.289CS..EExtended strand (participates in β ladder)trans-147.8134.3-179179.1169.4-155.900110.1H475 V476 R477 V550 M551 V628H475-E626 IonicContact CD2-OE1 3.4Å; H475-E626 IonicContact CE1-OE1 2.75Å; H475-E626 PolarHBondContact CE1-OE1 2.97Å; H475-E626 IonicContact NE2-OE1 2.79Å; H475-E626 PolarHBondContact NE2-OE1 3.34Å; V476-E626 CarbonylContact O-C 3.55Å; V476-E626 WeakPolarHBondContact O-CA 3.27Å; R477-E626 HydrophobicContact CG-CB 4.13Å; R477-E626 HydrophobicContact CG-CG 3.83Å; R477-E626 IonicContact CZ-OE1 3.37Å; R477-E626 VanDerWaalsContact NE-CD 3.34Å; R477-E626 IonicContact NE-OE1 3.88Å; R477-E626 PolarHBondContact NE-OE1 3Å; R477-E626 IonicContact NE-OE2 3.76Å; R477-E626 IonicContact NH2-OE1 2.63Å; R477-E626 PolarHBondContact NH2-OE1 3.49Å; V550-E626 CarbonylContact C-O 3.57Å; V550-E626 WeakPolarHBondContact CA-O 3.5Å; M551-E626 HydrophobicContact CB-CB 4.2Å; M551-E626 HydrophobicContact CE-CB 3.86Å; M551-E626 PolarHBondContact N-O 2.82Å; M551-E626 PolarHBondContact O-N 3.32Å; E626-V628 HydrophobicContact CG-CG2 4.09Å
627V97.9Very high92.2Very high0 Ų056.6 Ų56.60%030%0.304CS..EExtended strand (participates in β ladder)trans-128.3125.7175.4-178.40000108.3H475 V476 F536 V550 L593 V595 F625 I629H475-V627 WeakPolarHBondContact CA-O 3.12Å; V476-V627 PolarHBondContact N-O 3.26Å; V476-V627 PolarHBondContact O-N 3.48Å; F536-V627 HydrophobicContact CE1-CB 4.48Å; F536-V627 HydrophobicContact CE1-CG1 4.13Å; F536-V627 HydrophobicContact CE2-CG1 4.08Å; F536-V627 HydrophobicContact CE2-CG2 4.39Å; F536-V627 HydrophobicContact CZ-CB 3.92Å; F536-V627 HydrophobicContact CZ-CG1 3.72Å; F536-V627 HydrophobicContact CZ-CG2 4.02Å; V550-V627 HydrophobicContact CG1-CG2 4.31Å; V550-V627 HydrophobicContact CG2-CG1 4.33Å; V550-V627 HydrophobicContact CG2-CG2 4.34Å; L593-V627 HydrophobicContact CD2-CG1 4.36Å; V595-V627 HydrophobicContact CG2-CG2 4.21Å; F625-V627 HydrophobicContact CE1-CG2 3.77Å; F625-V627 HydrophobicContact CE2-CG2 3.89Å; F625-V627 HydrophobicContact CZ-CG2 3.33Å; V627-I629 HydrophobicContact CG1-CD1 4.18Å; V627-I629 HydrophobicContact CG1-CG1 3.88Å
628V97.9Very high92.1Very high23 Ų2359.2 Ų59.214%0.13932%0.315CS..EExtended strand (participates in β ladder)trans-123.3118.6178.2-168.30000107.9L473 L474 V548 S549 E626L473-V628 HydrophobicContact CD1-CG1 3.67Å; L474-V628 CarbonylContact O-C 3.38Å; V548-V628 CarbonylContact C-O 3.52Å; V548-V628 WeakPolarHBondContact CA-O 3.34Å; S549-V628 PolarHBondContact N-O 3.45Å; S549-V628 PolarHBondContact O-N 2.95Å; E626-V628 HydrophobicContact CG-CG2 4.09Å
629I97.3Very high92.4Very high0 Ų059.4 Ų59.40%032%0.316CS..EExtended strand (participates in β ladder)trans-119.8114.7179.3-46.1-177.5000107.9L473 L474 F536 L538 I545 V548 L593 V627 L631L473-I629 WeakPolarHBondContact CA-O 3.48Å; L474-I629 HydrophobicContact CB-CB 4.33Å; L474-I629 HydrophobicContact CD2-CD1 4.37Å; L474-I629 PolarHBondContact N-O 3.23Å; L474-I629 PolarHBondContact O-N 2.94Å; F536-I629 HydrophobicContact CB-CD1 3.96Å; F536-I629 HydrophobicContact CD1-CD1 3.66Å; F536-I629 HydrophobicContact CD2-CD1 4.37Å; F536-I629 HydrophobicContact CE1-CD1 4.28Å; F536-I629 HydrophobicContact CG-CD1 3.74Å; L538-I629 HydrophobicContact CD1-CG2 4.37Å; I545-I629 HydrophobicContact CG1-CG2 4.06Å; I545-I629 HydrophobicContact CG2-CG2 4.44Å; V548-I629 HydrophobicContact CG2-CG1 4.27Å; V548-I629 HydrophobicContact CG2-CG2 4.08Å; L593-I629 HydrophobicContact CD2-CD1 3.75Å; L593-I629 HydrophobicContact CD2-CG1 4.31Å; V627-I629 HydrophobicContact CG1-CD1 4.18Å; V627-I629 HydrophobicContact CG1-CG1 3.88Å; I629-L631 HydrophobicContact CB-CD2 4.45Å; I629-L631 HydrophobicContact CG2-CD2 3.77Å
630Q96.8Very high92.7Very high78 Ų7854.1 Ų54.136%0.36429%0.288SS..EExtended strand (participates in β ladder)trans-81.2133.2166.8-63.9-68.1-20.500108R472 H546 S547R472-Q630 PolarHBondContact O-OE1 3.25Å; H546-Q630 HydrophobicContact CB-CB 4.07Å; H546-Q630 WeakPolarHBondContact CB-O 3.23Å; H546-Q630 PolarHBondContact N-O 3.41Å; S547-Q630 PolarHBondContact N-O 3.24Å; S547-Q630 PolarHBondContact O-N 3.38Å; S547-Q630 WeakPolarHBondContact OG-CB 3.46Å; S547-Q630 WeakPolarHBondContact OG-CG 3.46Å
631L95.4Very high93.1Very high9 Ų951.6 Ų51.65%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-109.2146.4-171.1-55.4169.1000110.6P464 R472 L474 L538 L543 K544 I629P464-L631 HydrophobicContact CB-CD1 4.43Å; P464-L631 HydrophobicContact CG-CD1 4.36Å; R472-L631 HydrophobicContact CB-CB 4.43Å; R472-L631 PolarHBondContact O-N 2.73Å; L474-L631 HydrophobicContact CB-CD1 4.37Å; L538-L631 HydrophobicContact CD1-CD2 3.6Å; L538-L631 HydrophobicContact CD2-CD2 3.73Å; L538-L631 HydrophobicContact CG-CD2 4.26Å; L543-L631 HydrophobicContact CD1-CB 4.28Å; L543-L631 HydrophobicContact CD1-CD1 3.87Å; K544-L631 WeakPolarHBondContact O-CA 3.42Å; I629-L631 HydrophobicContact CB-CD2 4.45Å; I629-L631 HydrophobicContact CG2-CD2 3.77Å
632Q93.7Very high93.7Very high63 Ų6343.8 Ų43.829%0.29425%0.245SC..EExtended strand (participates in β ladder)trans-132.6165.6170.864.1-174.328.800109.8L543 K544 H546L543-Q632 WeakPolarHBondContact CA-O 3.32Å; L543-Q632 WeakPolarHBondContact CD2-O 3.24Å; K544-Q632 HydrophobicContact CB-CG 4.04Å; K544-Q632 PolarHBondContact N-O 3.15Å; K544-Q632 PolarHBondContact O-N 3.43Å; H546-Q632 HydrophobicContact CB-CB 4.18Å; H546-Q632 HydrophobicContact CB-CG 4.21Å; H546-Q632 PolarHBondContact ND1-OE1 3.01Å
633D90.8Very high94.2Very high104 Ų10435.2 Ų35.256%0.55621%0.208SC*.EExtended strand (participates in β ladder)trans-64.3147.2175.5-72.6-42.7000111.6R472R472-D633 IonicContact CZ-OD1 2.71Å; R472-D633 IonicContact CZ-OD2 3.82Å; R472-D633 IonicContact NH1-OD1 2.92Å; R472-D633 PolarHBondContact NH1-OD1 3.48Å; R472-D633 IonicContact NH1-OD2 3.5Å; R472-D633 IonicContact NH2-OD1 2.74Å; R472-D633 PolarHBondContact NH2-OD1 3.45Å; R472-D633 IonicContact NH2-OD2 3.92Å; R472-D633 PolarHBondContact NH2-OD2 3.17Å
634A79.7Confident94.5Very high90 Ų9035.9 Ų35.974%0.74421%0.207SC*.  trans-68.80178.500000113.5G542 K544G542-A634 VanDerWaalsContact O-CB 3.23Å; G542-A634 WeakPolarHBondContact O-CB 3.31Å; G542-A634 PolarHBondContact O-N 3.21Å; K544-A634 HydrophobicContact CD-CB 4.29Å; K544-A634 WeakPolarHBondContact CD-OXT 3.29Å; K544-A634 WeakPolarHBondContact CE-OXT 3.15Å; K544-A634 HydrophobicContact CG-CB 4.12Å; K544-A634 PolarHBondContact NZ-OXT 2.68Å

Retrieved 634 of 634 residues in 422.5 ms (Link to these results)

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