A0A3Q0KC17_SCHMA Loading...

Transcription elongation factor

Necessary for efficient RNA polymerase II transcription elongation past template-encoded arresting sites. The arresting sites in DNA have the property of trapping a certain fraction of elongating RNA polymerases that pass through, resulting in locked ternary complexes. Cleavage of the nascent transcript by S-II allows the resumption of elongation from the new 3'-terminus.

AlphaFold DB (G4VPZ1), UniProt , Accession A0A3Q0KC17, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 318 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
1M71.6Confident85.1Confident96 Ų9677.2 Ų77.247%0.47334%0.343SS..  0-50.20-162.9177.4-6500111.2E3 T4 E5 I41 K44M1-E3 PolarHBondContact O-N 3.4Å; M1-T4 PolarHBondContact O-N 2.84Å; M1-T4 PolarHBondContact O-OG1 2.97Å; M1-E5 PolarHBondContact O-N 3.39Å; M1-E5 VanDerWaalsContact O-N 3.09Å; M1-I41 HydrophobicContact CE-CG1 4.48Å; M1-K44 HydrophobicContact CE-CD 4.01Å; M1-K44 HydrophobicContact SD-CD 3.96Å
2E81.8Confident85.3Confident170 Ų17074.6 Ų74.679%0.79434%0.335SS*.Hα-helixtrans-58.6-42.8179.1-65.2-176.2164.800113.6T4 E5 H6E2-T4 PolarHBondContact O-N 2.75Å; E2-E5 PolarHBondContact O-N 3.49Å; E2-H6 PolarHBondContact O-N 3.43Å
3E83.4Confident85.5Confident104 Ų10479.5 Ų79.549%0.48635%0.35SS..Hα-helixtrans-61.6-41.6177.4-66.6-164.2-167.100112.7M1 H6 V7 R31 I35M1-E3 PolarHBondContact O-N 3.4Å; E3-H6 PolarHBondContact O-N 2.95Å; E3-V7 WeakPolarHBondContact O-CG2 3.29Å; E3-V7 PolarHBondContact O-N 3.4Å; E3-V7 VanDerWaalsContact O-N 3.07Å; E3-R31 IonicContact OE1-NH2 3.53Å; E3-R31 IonicContact OE2-CZ 3.68Å; E3-R31 IonicContact OE2-NE 2.96Å; E3-R31 PolarHBondContact OE2-NE 3.29Å; E3-R31 IonicContact OE2-NH2 2.96Å; E3-R31 PolarHBondContact OE2-NH2 3.43Å; E3-I35 HydrophobicContact CB-CD1 3.94Å
4T85.7Confident85.4Confident0 Ų075 Ų750%033%0.33CS..Hα-helixtrans-68.3-37.9180490000111.4M1 E2 V7 A8 L32 I35 M37 I41M1-T4 PolarHBondContact O-N 2.84Å; M1-T4 PolarHBondContact O-OG1 2.97Å; E2-T4 PolarHBondContact O-N 2.75Å; T4-V7 PolarHBondContact O-N 2.99Å; T4-A8 VanDerWaalsContact O-CB 3.26Å; T4-A8 WeakPolarHBondContact O-CB 3.46Å; T4-A8 PolarHBondContact O-N 3.49Å; T4-L32 HydrophobicContact CG2-CD2 4.21Å; T4-I35 HydrophobicContact CG2-CB 4.29Å; T4-I35 HydrophobicContact CG2-CD1 3.78Å; T4-I35 HydrophobicContact CG2-CG2 3.72Å; T4-M37 HydrophobicContact CG2-CE 3.94Å; T4-I41 HydrophobicContact CG2-CG2 4.06Å; T4-I41 VanDerWaalsContact OG1-CG2 3.31Å; T4-I41 WeakPolarHBondContact OG1-CG2 3.35Å
5E86.3Confident85.3Confident66 Ų6671.1 Ų71.131%0.30831%0.314SS..Hα-helixtrans-65.1-42.1173.9-74.4-178-158.500112.5M1 E2 V7 A8 R9 T45M1-E5 PolarHBondContact O-N 3.39Å; M1-E5 VanDerWaalsContact O-N 3.09Å; E2-E5 PolarHBondContact O-N 3.49Å; E5-V7 VanDerWaalsContact C-N 3.34Å; E5-V7 PolarHBondContact O-N 3.05Å; E5-A8 WeakPolarHBondContact O-CB 3.49Å; E5-A8 PolarHBondContact O-N 3.24Å; E5-R9 WeakPolarHBondContact O-CB 3.47Å; E5-R9 VanDerWaalsContact O-CG 3.3Å; E5-R9 WeakPolarHBondContact O-CG 3.43Å; E5-R9 PolarHBondContact O-N 2.93Å; E5-T45 HydrophobicContact CG-CG2 3.61Å
6H87.8Confident85.2Confident125 Ų12576 Ų7658%0.57934%0.335SS*.Hα-helixtrans-60-46.9177.2-175.781.8000111.1E2 E3 R9 R10E2-H6 PolarHBondContact O-N 3.43Å; E3-H6 PolarHBondContact O-N 2.95Å; H6-R9 PolarHBondContact O-N 3.01Å; H6-R10 WeakPolarHBondContact O-CB 3.37Å; H6-R10 PolarHBondContact O-N 3.14Å; H6-R10 VanDerWaalsContact O-N 3.13Å
7V88.6Confident84.8Confident7 Ų777.9 Ų77.94%0.04235%0.35CS..Hα-helixtrans-65.5-42.6176.8-179.10000111.2E3 T4 E5 R9 R10 L11 Y28 R31 L32E3-V7 WeakPolarHBondContact O-CG2 3.29Å; E3-V7 PolarHBondContact O-N 3.4Å; E3-V7 VanDerWaalsContact O-N 3.07Å; T4-V7 PolarHBondContact O-N 2.99Å; E5-V7 VanDerWaalsContact C-N 3.34Å; E5-V7 PolarHBondContact O-N 3.05Å; V7-R9 PolarHBondContact O-N 3.24Å; V7-R10 PolarHBondContact O-N 3.25Å; V7-R10 VanDerWaalsContact O-N 3.16Å; V7-L11 HydrophobicContact CG1-CD1 4.03Å; V7-L11 HydrophobicContact CG1-CG 4.12Å; V7-L11 WeakPolarHBondContact O-CB 3.48Å; V7-L11 WeakPolarHBondContact O-CG 3.33Å; V7-L11 PolarHBondContact O-N 3.23Å; V7-Y28 HydrophobicContact CG1-CD1 3.9Å; V7-Y28 HydrophobicContact CG1-CG 4.07Å; V7-Y28 HydrophobicContact CG2-CD1 4.28Å; V7-R31 HydrophobicContact CG2-CG 4.39Å; V7-L32 HydrophobicContact CB-CD2 4.15Å; V7-L32 HydrophobicContact CB-CG 4.25Å; V7-L32 HydrophobicContact CG1-CD1 3.72Å; V7-L32 HydrophobicContact CG1-CD2 4.11Å; V7-L32 HydrophobicContact CG1-CG 3.69Å
8A88.1Confident84.1Confident7 Ų784.2 Ų84.26%0.05838%0.376CS..Hα-helixtrans-55.6-49176.500000112T4 E5 R10 L11 D12 V47 I50T4-A8 VanDerWaalsContact O-CB 3.26Å; T4-A8 WeakPolarHBondContact O-CB 3.46Å; T4-A8 PolarHBondContact O-N 3.49Å; E5-A8 WeakPolarHBondContact O-CB 3.49Å; E5-A8 PolarHBondContact O-N 3.24Å; A8-R10 VanDerWaalsContact C-N 3.28Å; A8-R10 PolarHBondContact O-N 2.95Å; A8-L11 PolarHBondContact O-N 3.05Å; A8-D12 WeakPolarHBondContact O-CB 3.45Å; A8-D12 PolarHBondContact O-N 3.04Å; A8-V47 HydrophobicContact CB-CG2 3.47Å; A8-V47 VanDerWaalsContact CB-CG2 3.47Å; A8-I50 HydrophobicContact CB-CD1 3.99Å
9R88.1Confident83.4Confident170 Ų17088 Ų8864%0.64239%0.392SS*.Hα-helixtrans-63.1-35.6179.1-72.3176.5-171.1-135.75.9112E5 H6 V7 R13E5-R9 WeakPolarHBondContact O-CB 3.47Å; E5-R9 VanDerWaalsContact O-CG 3.3Å; E5-R9 WeakPolarHBondContact O-CG 3.43Å; E5-R9 PolarHBondContact O-N 2.93Å; H6-R9 PolarHBondContact O-N 3.01Å; V7-R9 PolarHBondContact O-N 3.24Å; R9-R13 WeakPolarHBondContact O-CB 3.43Å; R9-R13 PolarHBondContact O-N 2.92Å
10R88.1Confident82.8Confident104 Ų10485.3 Ų85.339%0.39238%0.381SS..Hα-helixtrans-72.5-43.7179.9-169.358.2176-173.88.3111.4H6 V7 A8 R13 M14 Y28H6-R10 WeakPolarHBondContact O-CB 3.37Å; H6-R10 PolarHBondContact O-N 3.14Å; H6-R10 VanDerWaalsContact O-N 3.13Å; V7-R10 PolarHBondContact O-N 3.25Å; V7-R10 VanDerWaalsContact O-N 3.16Å; A8-R10 VanDerWaalsContact C-N 3.28Å; A8-R10 PolarHBondContact O-N 2.95Å; R10-R13 WeakPolarHBondContact O-CB 3.48Å; R10-R13 PolarHBondContact O-N 2.82Å; R10-M14 WeakPolarHBondContact O-CG 3.34Å; R10-M14 PolarHBondContact O-N 3.11Å; R10-M14 VanDerWaalsContact O-N 3.09Å; R10-Y28 HydrophobicContact CB-CE1 4.36Å; R10-Y28 HydrophobicContact CB-CE2 4.45Å; R10-Y28 HydrophobicContact CG-CD2 4.23Å; R10-Y28 HydrophobicContact CG-CE1 3.83Å; R10-Y28 HydrophobicContact CG-CE2 3.47Å; R10-Y28 VanDerWaalsContact CG-CE2 3.47Å; R10-Y28 VanDerWaalsContact CG-OH 3.27Å; R10-Y28 WeakPolarHBondContact CG-OH 3.39Å; R10-Y28 PolarHBondContact NE-OH 3.16Å
11L86.7Confident82.7Confident0 Ų085.8 Ų85.80%039%0.387CS..Hα-helixtrans-62-43.3172.9-73.9-172.7000112.2V7 A8 R13 M14 L15 Y28 L32 I50 I54V7-L11 HydrophobicContact CG1-CD1 4.03Å; V7-L11 HydrophobicContact CG1-CG 4.12Å; V7-L11 WeakPolarHBondContact O-CB 3.48Å; V7-L11 WeakPolarHBondContact O-CG 3.33Å; V7-L11 PolarHBondContact O-N 3.23Å; A8-L11 PolarHBondContact O-N 3.05Å; L11-R13 VanDerWaalsContact C-N 3.31Å; L11-R13 PolarHBondContact O-N 3.07Å; L11-M14 HydrophobicContact CD2-SD 4.3Å; L11-M14 PolarHBondContact O-N 3.28Å; L11-L15 PolarHBondContact O-N 3.45Å; L11-L15 VanDerWaalsContact O-N 3.14Å; L11-Y28 HydrophobicContact CD2-CD2 3.84Å; L11-Y28 HydrophobicContact CD2-CG 4.01Å; L11-Y28 HydrophobicContact CG-CG 4.48Å; L11-L32 HydrophobicContact CD1-CD1 3.88Å; L11-I50 HydrophobicContact CB-CG2 3.62Å; L11-I54 HydrophobicContact CB-CD1 3.6Å; L11-I54 HydrophobicContact CD1-CD1 3.91Å; L11-I54 HydrophobicContact CD2-CD1 3.58Å; L11-I54 HydrophobicContact CG-CD1 3.86Å
12D87.8Confident83.1Confident46 Ų4683.5 Ų83.525%0.24638%0.377CS..Hα-helixtrans-64.4-34.7175.1-172.861.5000112.5A8 L15 K16 I50A8-D12 WeakPolarHBondContact O-CB 3.45Å; A8-D12 PolarHBondContact O-N 3.04Å; D12-L15 PolarHBondContact O-N 3.45Å; D12-K16 WeakPolarHBondContact O-CG 3.39Å; D12-K16 PolarHBondContact O-N 3.31Å; D12-K16 VanDerWaalsContact OD2-CE 3.31Å; D12-K16 WeakPolarHBondContact OD2-CE 3.32Å; D12-K16 IonicContact OD2-NZ 2.88Å; D12-K16 PolarHBondContact OD2-NZ 3.14Å; D12-I50 HydrophobicContact CB-CD1 4.22Å
13R87.7Confident83.2Confident139 Ų13983.5 Ų83.553%0.52538%0.377SS..Hα-helixtrans-66.7-37.2174.5-167.3-178.9-59.4-178.91.1112.1R9 R10 L11 K16 N17R9-R13 WeakPolarHBondContact O-CB 3.43Å; R9-R13 PolarHBondContact O-N 2.92Å; R10-R13 WeakPolarHBondContact O-CB 3.48Å; R10-R13 PolarHBondContact O-N 2.82Å; L11-R13 VanDerWaalsContact C-N 3.31Å; L11-R13 PolarHBondContact O-N 3.07Å; R13-K16 PolarHBondContact O-N 3.27Å; R13-N17 WeakPolarHBondContact O-CB 3.26Å; R13-N17 PolarHBondContact O-N 3.03Å; R13-N17 VanDerWaalsContact O-N 3.12Å
14M83.7Confident83.3Confident16 Ų1680.5 Ų80.58%0.07937%0.368CS..Hα-helixtrans-64.6-42.9175.1-67173.174.800111R10 L11 N17 K18 D21 A25 Y28R10-M14 WeakPolarHBondContact O-CG 3.34Å; R10-M14 PolarHBondContact O-N 3.11Å; R10-M14 VanDerWaalsContact O-N 3.09Å; L11-M14 HydrophobicContact CD2-SD 4.3Å; L11-M14 PolarHBondContact O-N 3.28Å; M14-N17 PolarHBondContact O-N 2.94Å; M14-K18 PolarHBondContact O-N 2.99Å; M14-D21 HydrophobicContact CE-CB 3.96Å; M14-D21 VanDerWaalsContact CE-O 3.28Å; M14-D21 WeakPolarHBondContact CE-O 3.46Å; M14-A25 HydrophobicContact CE-CB 4.36Å; M14-Y28 HydrophobicContact SD-CD2 4.07Å; M14-Y28 HydrophobicContact SD-CE2 4.06Å
15L84.5Confident83.4Confident17 Ų1780.5 Ų80.59%0.08937%0.368CS..Hα-helixtrans-60.8-45.4173.9-70174.3000112.3L11 D12 N17 K18 I20 I50 K53 I54 E57L11-L15 PolarHBondContact O-N 3.45Å; L11-L15 VanDerWaalsContact O-N 3.14Å; D12-L15 PolarHBondContact O-N 3.45Å; L15-N17 VanDerWaalsContact C-N 3.29Å; L15-N17 PolarHBondContact O-N 3.01Å; L15-K18 PolarHBondContact O-N 3.42Å; L15-I20 HydrophobicContact CD2-CD1 4.26Å; L15-I50 HydrophobicContact CD1-CG2 3.96Å; L15-K53 HydrophobicContact CD1-CB 3.74Å; L15-K53 HydrophobicContact CD1-CD 4.11Å; L15-K53 HydrophobicContact CD2-CB 4.16Å; L15-I54 HydrophobicContact CD1-CG1 4.01Å; L15-I54 HydrophobicContact CD2-CG1 3.65Å; L15-I54 HydrophobicContact CG-CD1 4.5Å; L15-I54 HydrophobicContact CG-CG1 3.81Å; L15-E57 WeakPolarHBondContact CD2-OE2 3.36Å
16K83.1Confident83.4Confident149 Ų14978.3 Ų78.365%0.64836%0.358SS*.Hα-helixtrans-62.2-35179.1-79.9171.8173.71540113.2D12 R13 K18D12-K16 WeakPolarHBondContact O-CG 3.39Å; D12-K16 PolarHBondContact O-N 3.31Å; D12-K16 VanDerWaalsContact OD2-CE 3.31Å; D12-K16 WeakPolarHBondContact OD2-CE 3.32Å; D12-K16 IonicContact OD2-NZ 2.88Å; D12-K16 PolarHBondContact OD2-NZ 3.14Å; R13-K16 PolarHBondContact O-N 3.27Å; K16-K18 VanDerWaalsContact C-N 3.3Å; K16-K18 PolarHBondContact O-N 2.92Å
17N77.9Confident83.5Confident109 Ų10979.5 Ų79.558%0.58336%0.362SS*.THydrogen-bonded Turntrans-84-2.5-177.7-70.2-4.7000113.5R13 M14 L15 K19R13-N17 WeakPolarHBondContact O-CB 3.26Å; R13-N17 PolarHBondContact O-N 3.03Å; R13-N17 VanDerWaalsContact O-N 3.12Å; M14-N17 PolarHBondContact O-N 2.94Å; L15-N17 VanDerWaalsContact C-N 3.29Å; L15-N17 PolarHBondContact O-N 3.01Å; N17-K19 PolarHBondContact O-N 3.09Å
18K72.7Confident83.5Confident190 Ų19081.2 Ų81.283%0.82637%0.368SS*.THydrogen-bonded Turntrans50.417.3-174.4-66.8-175.2176.4-178.50114.8M14 L15 K16M14-K18 PolarHBondContact O-N 2.99Å; L15-K18 PolarHBondContact O-N 3.42Å; K16-K18 VanDerWaalsContact C-N 3.3Å; K16-K18 PolarHBondContact O-N 2.92Å
19K70.9Confident83.5Confident157 Ų15781 Ų8168%0.68337%0.366SS*.  trans-113.993.7173.6-72-171.9178.6-173.40106.2N17 D21N17-K19 PolarHBondContact O-N 3.09Å; K19-D21 PolarHBondContact O-N 3.48Å
20I71.3Confident83.6Confident33 Ų3379.7 Ų79.717%0.16936%0.361CS..  trans-89.899.6175.1-60.2177.9000106.1L15 D22 A25 E57L15-I20 HydrophobicContact CD2-CD1 4.26Å; I20-D22 PolarHBondContact O-N 3.41Å; I20-A25 HydrophobicContact CG2-CB 4.44Å; I20-E57 HydrophobicContact CD1-CB 3.21Å; I20-E57 HydrophobicContact CD1-CG 4.37Å
21D80.6Confident83.6Confident96 Ų9680.7 Ų80.751%0.51336%0.364SS..  trans-75.6101.8168.5-55-37.1000107.1M14 K19 E23 S24 A25M14-D21 HydrophobicContact CE-CB 3.96Å; M14-D21 VanDerWaalsContact CE-O 3.28Å; M14-D21 WeakPolarHBondContact CE-O 3.46Å; K19-D21 PolarHBondContact O-N 3.48Å; D21-E23 VanDerWaalsContact C-N 3.25Å; D21-E23 PolarHBondContact O-N 3Å; D21-S24 WeakPolarHBondContact O-CB 3.3Å; D21-S24 PolarHBondContact O-N 2.91Å; D21-A25 PolarHBondContact O-N 2.82Å
22D81Confident83.7Confident49 Ų4980.7 Ų80.726%0.26236%0.364SS..Hα-helixtrans-56.1-38.4-174.1-71.7-36.8000112.3I20 S24 A25 L26 D60I20-D22 PolarHBondContact O-N 3.41Å; D22-S24 PolarHBondContact O-N 3.39Å; D22-A25 WeakPolarHBondContact O-CB 3.28Å; D22-A25 PolarHBondContact O-N 3.38Å; D22-L26 WeakPolarHBondContact O-CB 3.49Å; D22-L26 WeakPolarHBondContact O-CG 3.42Å; D22-L26 PolarHBondContact O-N 3.17Å; D22-D60 HydrophobicContact CB-CB 4.03Å
23E83.8Confident83.6Confident169 Ų16986.4 Ų86.479%0.7938%0.383SS*.Hα-helixtrans-61.3-42.6174.7-67.6-170162.400112.9D21 L26 K27D21-E23 VanDerWaalsContact C-N 3.25Å; D21-E23 PolarHBondContact O-N 3Å; E23-L26 PolarHBondContact O-N 3Å; E23-K27 WeakPolarHBondContact O-CB 3.27Å; E23-K27 PolarHBondContact O-N 2.67Å
24S85.4Confident83.6Confident41 Ų4183.6 Ų83.629%0.28738%0.384SS..Hα-helixtrans-68.7-41177.3-70.30000110.3D21 D22 L26 K27 Y28D21-S24 WeakPolarHBondContact O-CB 3.3Å; D21-S24 PolarHBondContact O-N 2.91Å; D22-S24 PolarHBondContact O-N 3.39Å; S24-L26 PolarHBondContact O-N 3.38Å; S24-K27 WeakPolarHBondContact O-CB 3.38Å; S24-K27 PolarHBondContact O-N 3.28Å; S24-Y28 WeakPolarHBondContact O-CD2 3.47Å; S24-Y28 PolarHBondContact O-N 2.86Å
25A86.6Confident83.6Confident1 Ų184.5 Ų84.51%0.00839%0.389CS..Hα-helixtrans-59.7-45.7175.500000111M14 I20 D21 D22 K27 Y28 L29 I54 V63M14-A25 HydrophobicContact CE-CB 4.36Å; I20-A25 HydrophobicContact CG2-CB 4.44Å; D21-A25 PolarHBondContact O-N 2.82Å; D22-A25 WeakPolarHBondContact O-CB 3.28Å; D22-A25 PolarHBondContact O-N 3.38Å; A25-K27 PolarHBondContact O-N 3.45Å; A25-Y28 PolarHBondContact O-N 3.48Å; A25-L29 WeakPolarHBondContact O-CB 3.4Å; A25-L29 VanDerWaalsContact O-CG 3.3Å; A25-L29 WeakPolarHBondContact O-CG 3.47Å; A25-L29 PolarHBondContact O-N 3Å; A25-I54 HydrophobicContact CB-CG2 4.37Å; A25-V63 HydrophobicContact CB-CG2 4.46Å
26L87.2Confident83.3Confident20 Ų2092.4 Ų92.411%0.10543%0.425CS..Hα-helixtrans-59.2-44.6174.3-76.1174.6000112.3D22 E23 S24 Y28 L29 R30 E62 V63 L66D22-L26 WeakPolarHBondContact O-CB 3.49Å; D22-L26 WeakPolarHBondContact O-CG 3.42Å; D22-L26 PolarHBondContact O-N 3.17Å; E23-L26 PolarHBondContact O-N 3Å; S24-L26 PolarHBondContact O-N 3.38Å; L26-Y28 VanDerWaalsContact C-N 3.34Å; L26-Y28 PolarHBondContact O-N 3.06Å; L26-L29 PolarHBondContact O-N 3.21Å; L26-R30 WeakPolarHBondContact O-CB 3.34Å; L26-R30 VanDerWaalsContact O-CG 3.29Å; L26-R30 WeakPolarHBondContact O-CG 3.34Å; L26-R30 PolarHBondContact O-N 3.02Å; L26-E62 HydrophobicContact CD1-CB 4.29Å; L26-E62 HydrophobicContact CD2-CB 3.78Å; L26-V63 HydrophobicContact CD1-CG2 4.38Å; L26-V63 HydrophobicContact CD2-CB 4.33Å; L26-V63 HydrophobicContact CD2-CG2 3.54Å; L26-V63 HydrophobicContact CG-CG2 3.55Å; L26-L66 HydrophobicContact CD2-CD1 3.93Å
27K89.9Confident83.3Confident150 Ų15086.2 Ų86.265%0.65240%0.399SS*.Hα-helixtrans-58.7-45.6177.2-176.2177.6179.9175.70111.7E23 S24 A25 R31E23-K27 WeakPolarHBondContact O-CB 3.27Å; E23-K27 PolarHBondContact O-N 2.67Å; S24-K27 WeakPolarHBondContact O-CB 3.38Å; S24-K27 PolarHBondContact O-N 3.28Å; A25-K27 PolarHBondContact O-N 3.45Å; K27-R31 PolarHBondContact O-N 2.68Å
28Y89.2Confident83.5Confident43 Ų4384.4 Ų84.417%0.16939%0.392CS..Hα-helixtrans-69.5-38.6178.5-70.5-53.6000112.7V7 R10 L11 M14 S24 A25 L26 R31 L32V7-Y28 HydrophobicContact CG1-CD1 3.9Å; V7-Y28 HydrophobicContact CG1-CG 4.07Å; V7-Y28 HydrophobicContact CG2-CD1 4.28Å; R10-Y28 HydrophobicContact CB-CE1 4.36Å; R10-Y28 HydrophobicContact CB-CE2 4.45Å; R10-Y28 HydrophobicContact CG-CD2 4.23Å; R10-Y28 HydrophobicContact CG-CE1 3.83Å; R10-Y28 HydrophobicContact CG-CE2 3.47Å; R10-Y28 VanDerWaalsContact CG-CE2 3.47Å; R10-Y28 VanDerWaalsContact CG-OH 3.27Å; R10-Y28 WeakPolarHBondContact CG-OH 3.39Å; R10-Y28 PolarHBondContact NE-OH 3.16Å; L11-Y28 HydrophobicContact CD2-CD2 3.84Å; L11-Y28 HydrophobicContact CD2-CG 4.01Å; L11-Y28 HydrophobicContact CG-CG 4.48Å; M14-Y28 HydrophobicContact SD-CD2 4.07Å; M14-Y28 HydrophobicContact SD-CE2 4.06Å; S24-Y28 WeakPolarHBondContact O-CD2 3.47Å; S24-Y28 PolarHBondContact O-N 2.86Å; A25-Y28 PolarHBondContact O-N 3.48Å; L26-Y28 VanDerWaalsContact C-N 3.34Å; L26-Y28 PolarHBondContact O-N 3.06Å; Y28-R31 PolarHBondContact O-N 2.88Å; Y28-L32 WeakPolarHBondContact O-CG 3.4Å; Y28-L32 PolarHBondContact O-N 3.1Å
29L88.1Confident84.1Confident2 Ų279.2 Ų79.21%0.0137%0.373CS..Hα-helixtrans-64.9-41.8174.7-72.3176.6000112.2A25 L26 R31 L32 R33 I51 V63 M70A25-L29 WeakPolarHBondContact O-CB 3.4Å; A25-L29 VanDerWaalsContact O-CG 3.3Å; A25-L29 WeakPolarHBondContact O-CG 3.47Å; A25-L29 PolarHBondContact O-N 3Å; L26-L29 PolarHBondContact O-N 3.21Å; L29-R31 VanDerWaalsContact C-N 3.3Å; L29-R31 PolarHBondContact O-N 2.96Å; L29-L32 PolarHBondContact O-N 2.96Å; L29-R33 PolarHBondContact O-N 3.32Å; L29-I51 HydrophobicContact CD2-CD1 3.94Å; L29-I51 HydrophobicContact CD2-CG1 3.95Å; L29-I51 HydrophobicContact CD2-CG2 4.05Å; L29-V63 HydrophobicContact CD1-CB 4.41Å; L29-V63 HydrophobicContact CD1-CG1 3.73Å; L29-M70 HydrophobicContact CB-SD 4.46Å; L29-M70 HydrophobicContact CD2-CE 4.45Å; L29-M70 HydrophobicContact CD2-SD 4.08Å
30R89.5Confident84.8Confident142 Ų14277.4 Ų77.454%0.53637%0.367SS..Hα-helixtrans-62.6-38.8174.5-71.9176-171.1-97.30.4111.3L26 R33 S34 E62 L66L26-R30 WeakPolarHBondContact O-CB 3.34Å; L26-R30 VanDerWaalsContact O-CG 3.29Å; L26-R30 WeakPolarHBondContact O-CG 3.34Å; L26-R30 PolarHBondContact O-N 3.02Å; R30-R33 WeakPolarHBondContact O-CB 3.36Å; R30-R33 PolarHBondContact O-N 2.96Å; R30-S34 PolarHBondContact O-N 2.74Å; R30-E62 IonicContact NH2-OE2 3.53Å; R30-E62 PolarHBondContact NH2-OE2 3.45Å; R30-L66 HydrophobicContact CG-CD1 4.46Å
31R88.8Confident85.4Confident125 Ų12576.7 Ų76.747%0.47236%0.363SS..Hα-helixtrans-66.9-38.1174.8-171.961.8-177.5-176.33.3112.6E3 V7 K27 Y28 L29 R33 S34E3-R31 IonicContact OE1-NH2 3.53Å; E3-R31 IonicContact OE2-CZ 3.68Å; E3-R31 IonicContact OE2-NE 2.96Å; E3-R31 PolarHBondContact OE2-NE 3.29Å; E3-R31 IonicContact OE2-NH2 2.96Å; E3-R31 PolarHBondContact OE2-NH2 3.43Å; V7-R31 HydrophobicContact CG2-CG 4.39Å; K27-R31 PolarHBondContact O-N 2.68Å; Y28-R31 PolarHBondContact O-N 2.88Å; L29-R31 VanDerWaalsContact C-N 3.3Å; L29-R31 PolarHBondContact O-N 2.96Å; R31-R33 VanDerWaalsContact C-N 3.3Å; R31-R33 PolarHBondContact O-N 3.49Å; R31-S34 PolarHBondContact O-N 2.79Å; R31-S34 PolarHBondContact O-OG 3.33Å
32L87.3Confident85.6Confident0 Ų073.5 Ų73.50%035%0.346CS..Hα-helixtrans-68.1-30.9174.6-76.2169.9000112.6T4 V7 L11 Y28 L29 S34 I35 M37 V47 I51 M70T4-L32 HydrophobicContact CG2-CD2 4.21Å; V7-L32 HydrophobicContact CB-CD2 4.15Å; V7-L32 HydrophobicContact CB-CG 4.25Å; V7-L32 HydrophobicContact CG1-CD1 3.72Å; V7-L32 HydrophobicContact CG1-CD2 4.11Å; V7-L32 HydrophobicContact CG1-CG 3.69Å; L11-L32 HydrophobicContact CD1-CD1 3.88Å; Y28-L32 WeakPolarHBondContact O-CG 3.4Å; Y28-L32 PolarHBondContact O-N 3.1Å; L29-L32 PolarHBondContact O-N 2.96Å; L32-S34 VanDerWaalsContact C-N 3.29Å; L32-S34 PolarHBondContact O-N 2.94Å; L32-I35 PolarHBondContact O-N 3.21Å; L32-M37 HydrophobicContact CD2-CE 4.42Å; L32-V47 HydrophobicContact CD1-CG1 3.88Å; L32-V47 HydrophobicContact CD2-CG1 4.34Å; L32-I51 HydrophobicContact CD1-CD1 3.96Å; L32-I51 HydrophobicContact CD1-CG1 4.48Å; L32-M70 HydrophobicContact CB-CE 3.42Å; L32-M70 VanDerWaalsContact CB-CE 3.42Å; L32-M70 HydrophobicContact CD1-CE 4.34Å
33R87.2Confident85.8Confident167 Ų16776.1 Ų76.163%0.6336%0.364SS*.Hα-helixtrans-65.4-30.5175.7-175178.7176.6-174.8-1.4112.9L29 R30 R31 I35L29-R33 PolarHBondContact O-N 3.32Å; R30-R33 WeakPolarHBondContact O-CB 3.36Å; R30-R33 PolarHBondContact O-N 2.96Å; R31-R33 VanDerWaalsContact C-N 3.3Å; R31-R33 PolarHBondContact O-N 3.49Å; R33-I35 VanDerWaalsContact C-N 3.3Å
34S86.1Confident86Confident79 Ų7974.3 Ų74.355%0.55235%0.353SS*.THydrogen-bonded Turntrans-77-14.5177.353.30000114R30 R31 L32R30-S34 PolarHBondContact O-N 2.74Å; R31-S34 PolarHBondContact O-N 2.79Å; R31-S34 PolarHBondContact O-OG 3.33Å; L32-S34 VanDerWaalsContact C-N 3.29Å; L32-S34 PolarHBondContact O-N 2.94Å
35I84Confident86Confident36 Ų3673.3 Ų73.319%0.18535%0.346CS..SBendtrans-94.4123.8-177.9-58.3167.2000108.7E3 T4 L32 R33 M37E3-I35 HydrophobicContact CB-CD1 3.94Å; T4-I35 HydrophobicContact CG2-CB 4.29Å; T4-I35 HydrophobicContact CG2-CD1 3.78Å; T4-I35 HydrophobicContact CG2-CG2 3.72Å; L32-I35 PolarHBondContact O-N 3.21Å; R33-I35 VanDerWaalsContact C-N 3.3Å; I35-M37 PolarHBondContact O-N 3.24Å
36E79.8Confident86Confident183 Ų18374.4 Ų74.486%0.85536%0.357SS*.PPolyproline II helixtrans-64.3117.8171.6-66.9-171.2164.600109.9
37M81.8Confident86.1Confident18 Ų1873.5 Ų73.59%0.08935%0.352CS..PPolyproline II helixtrans-94.5128.7-174.1-166.462.964.100110.1T4 L32 I35 I41 L42 W74 L77T4-M37 HydrophobicContact CG2-CE 3.94Å; L32-M37 HydrophobicContact CD2-CE 4.42Å; I35-M37 PolarHBondContact O-N 3.24Å; M37-I41 HydrophobicContact CE-CG2 4.43Å; M37-I41 HydrophobicContact SD-CB 3.79Å; M37-I41 HydrophobicContact SD-CG2 3.4Å; M37-I41 WeakPolarHBondContact SD-CG2 3.47Å; M37-L42 HydrophobicContact CG-CD1 3.63Å; M37-L42 HydrophobicContact CG-CD2 4.17Å; M37-L42 HydrophobicContact CG-CG 3.55Å; M37-L42 HydrophobicContact SD-CG 4.06Å; M37-W74 HydrophobicContact CB-CD2 4.47Å; M37-W74 HydrophobicContact CB-CG 4.48Å; M37-W74 HydrophobicContact CB-CZ2 4.19Å; M37-W74 VanDerWaalsContact CB-NE1 3.28Å; M37-W74 HydrophobicContact CE-CH2 3.67Å; M37-W74 HydrophobicContact CE-CZ2 3.43Å; M37-W74 VanDerWaalsContact CE-CZ2 3.43Å; M37-W74 HydrophobicContact CG-CD2 4.03Å; M37-W74 HydrophobicContact CG-CG 4.23Å; M37-W74 HydrophobicContact CG-CZ2 4.04Å; M37-L77 WeakPolarHBondContact O-CD1 3.49Å
38T83.6Confident85.9Confident71 Ų7167.5 Ų67.544%0.43633%0.333SS..  trans-110160.6174.363.50000111.2E40 I41 L42T38-E40 PolarHBondContact O-N 2.93Å; T38-I41 PolarHBondContact O-N 3.43Å; T38-I41 VanDerWaalsContact O-N 3.09Å; T38-I41 WeakPolarHBondContact OG1-CD1 3.46Å; T38-I41 WeakPolarHBondContact OG1-CG1 3.39Å; T38-L42 PolarHBondContact O-N 3.2Å
39L84.2Confident85.9Confident81 Ų8170.9 Ų70.942%0.42435%0.353SS..Hα-helixtrans-54.8-38.7177.8-171.984.8000111.9L42 T43 V78L39-L42 PolarHBondContact O-N 3.39Å; L39-T43 WeakPolarHBondContact O-CB 3.4Å; L39-T43 WeakPolarHBondContact O-CG2 3.2Å; L39-T43 PolarHBondContact O-N 3.08Å; L39-T43 PolarHBondContact O-OG1 2.94Å; L39-V78 HydrophobicContact CD1-CG2 4.13Å
40E84.5Confident85.9Confident120 Ų12071.7 Ų71.756%0.56136%0.357SS*.Hα-helixtrans-64.3-40.3177.2-66.4-171.3-171.500112.9T38 T43 K44T38-E40 PolarHBondContact O-N 2.93Å; E40-T43 WeakPolarHBondContact CA-OG1 3.48Å; E40-T43 PolarHBondContact O-OG1 3.35Å; E40-K44 WeakPolarHBondContact O-CB 3.28Å; E40-K44 VanDerWaalsContact O-CG 3.29Å; E40-K44 WeakPolarHBondContact O-CG 3.39Å; E40-K44 PolarHBondContact O-N 3.31Å
41I85.6Confident85.9Confident18 Ų1865 Ų659%0.09233%0.332CS..Hα-helixtrans-70.2-42.1179.1-61.9166.7000109.7M1 T4 M37 T38 T43 K44 T45M1-I41 HydrophobicContact CE-CG1 4.48Å; T4-I41 HydrophobicContact CG2-CG2 4.06Å; T4-I41 VanDerWaalsContact OG1-CG2 3.31Å; T4-I41 WeakPolarHBondContact OG1-CG2 3.35Å; M37-I41 HydrophobicContact CE-CG2 4.43Å; M37-I41 HydrophobicContact SD-CB 3.79Å; M37-I41 HydrophobicContact SD-CG2 3.4Å; M37-I41 WeakPolarHBondContact SD-CG2 3.47Å; T38-I41 PolarHBondContact O-N 3.43Å; T38-I41 VanDerWaalsContact O-N 3.09Å; T38-I41 WeakPolarHBondContact OG1-CD1 3.46Å; T38-I41 WeakPolarHBondContact OG1-CG1 3.39Å; I41-T43 PolarHBondContact O-N 2.99Å; I41-K44 PolarHBondContact O-N 2.91Å; I41-T45 HydrophobicContact CG2-CG2 3.95Å; I41-T45 VanDerWaalsContact O-CB 3.32Å; I41-T45 WeakPolarHBondContact O-CB 3.33Å; I41-T45 VanDerWaalsContact O-CG2 3.3Å; I41-T45 WeakPolarHBondContact O-CG2 3.37Å; I41-T45 PolarHBondContact O-N 3.24Å; I41-T45 PolarHBondContact O-OG1 2.91Å
42L85.1Confident85.9Confident28 Ų2861.9 Ų61.915%0.14732%0.324CS..Hα-helixtrans-59.1-45.1177-84.3151.8000112.6M37 T38 L39 G46 W74 L77M37-L42 HydrophobicContact CG-CD1 3.63Å; M37-L42 HydrophobicContact CG-CD2 4.17Å; M37-L42 HydrophobicContact CG-CG 3.55Å; M37-L42 HydrophobicContact SD-CG 4.06Å; T38-L42 PolarHBondContact O-N 3.2Å; L39-L42 PolarHBondContact O-N 3.39Å; L42-G46 PolarHBondContact O-N 2.99Å; L42-G46 VanDerWaalsContact O-N 3.13Å; L42-W74 HydrophobicContact CD1-CB 3.89Å; L42-W74 HydrophobicContact CD1-CG 4.15Å; L42-W74 HydrophobicContact CD2-CB 4.09Å; L42-W74 HydrophobicContact CD2-CD2 3.92Å; L42-W74 HydrophobicContact CD2-CE3 3.52Å; L42-W74 HydrophobicContact CD2-CG 4.19Å; L42-W74 HydrophobicContact CD2-CZ3 4.14Å; L42-L77 HydrophobicContact CD1-CD1 4.27Å
43T84.3Confident85.9Confident104 Ų10466.9 Ų66.964%0.63835%0.346SS*.Hα-helixtrans-70.9-41.9-17949.10000112.2L39 E40 I41L39-T43 WeakPolarHBondContact O-CB 3.4Å; L39-T43 WeakPolarHBondContact O-CG2 3.2Å; L39-T43 PolarHBondContact O-N 3.08Å; L39-T43 PolarHBondContact O-OG1 2.94Å; E40-T43 WeakPolarHBondContact CA-OG1 3.48Å; E40-T43 PolarHBondContact O-OG1 3.35Å; I41-T43 PolarHBondContact O-N 2.99Å
44K87Confident85.9Confident132 Ų13259.1 Ų59.157%0.57432%0.317SS*.Hα-helixtrans-71.2-41.7178.9-73.2176.9177.1171.90113.5M1 E40 I41M1-K44 HydrophobicContact CE-CD 4.01Å; M1-K44 HydrophobicContact SD-CD 3.96Å; E40-K44 WeakPolarHBondContact O-CB 3.28Å; E40-K44 VanDerWaalsContact O-CG 3.29Å; E40-K44 WeakPolarHBondContact O-CG 3.39Å; E40-K44 PolarHBondContact O-N 3.31Å; I41-K44 PolarHBondContact O-N 2.91Å
45T87.2Confident85.8Confident20 Ų2059.5 Ų59.512%0.12331%0.306CS..Hα-helixtrans-89.8-22-171.864.10000114E5 I41 V47E5-T45 HydrophobicContact CG-CG2 3.61Å; I41-T45 HydrophobicContact CG2-CG2 3.95Å; I41-T45 VanDerWaalsContact O-CB 3.32Å; I41-T45 WeakPolarHBondContact O-CB 3.33Å; I41-T45 VanDerWaalsContact O-CG2 3.3Å; I41-T45 WeakPolarHBondContact O-CG2 3.37Å; I41-T45 PolarHBondContact O-N 3.24Å; I41-T45 PolarHBondContact O-OG1 2.91Å; T45-V47 PolarHBondContact O-N 3.04Å; T45-V47 VanDerWaalsContact O-N 3.15Å; T45-V47 WeakPolarHBondContact OG1-CG2 3.27Å; T45-V47 PolarHBondContact OG1-N 3.41Å
46G85.9Confident85.9Confident24 Ų2465.5 Ų65.525%0.24733%0.331CS..  trans63.515-175.400000114.3L42 G48 I49 I50L42-G46 PolarHBondContact O-N 2.99Å; L42-G46 VanDerWaalsContact O-N 3.13Å; G46-G48 PolarHBondContact O-N 3.29Å; G46-G48 VanDerWaalsContact O-N 3.15Å; G46-I49 WeakPolarHBondContact O-CB 3.37Å; G46-I49 PolarHBondContact O-N 3.23Å; G46-I50 PolarHBondContact O-N 2.84Å
47V88.1Confident86Confident0 Ų061.7 Ų61.70%031%0.313CS..Hα-helixtrans-56.4-35.1-174.4171.60000112.4A8 L32 T45 I49 I50 I51 W74A8-V47 HydrophobicContact CB-CG2 3.47Å; A8-V47 VanDerWaalsContact CB-CG2 3.47Å; L32-V47 HydrophobicContact CD1-CG1 3.88Å; L32-V47 HydrophobicContact CD2-CG1 4.34Å; T45-V47 PolarHBondContact O-N 3.04Å; T45-V47 VanDerWaalsContact O-N 3.15Å; T45-V47 WeakPolarHBondContact OG1-CG2 3.27Å; T45-V47 PolarHBondContact OG1-N 3.41Å; V47-I49 VanDerWaalsContact C-N 3.25Å; V47-I49 PolarHBondContact O-N 2.91Å; V47-I50 PolarHBondContact O-N 3.44Å; V47-I50 VanDerWaalsContact O-N 3.16Å; V47-I51 HydrophobicContact CG1-CD1 3.7Å; V47-I51 HydrophobicContact CG1-CG1 3.99Å; V47-I51 WeakPolarHBondContact O-CG1 3.47Å; V47-I51 PolarHBondContact O-N 3.06Å; V47-W74 HydrophobicContact CG1-CH2 3.82Å; V47-W74 HydrophobicContact CG1-CZ3 3.83Å
48G87.4Confident85.9Confident24 Ų2461.4 Ų61.425%0.24731%0.313CS..Hα-helixtrans-58.8-34.5177.800000113.7G46 N52G46-G48 PolarHBondContact O-N 3.29Å; G46-G48 VanDerWaalsContact O-N 3.15Å; G48-N52 WeakPolarHBondContact O-CB 3.49Å; G48-N52 PolarHBondContact O-N 2.94Å
49I87.7Confident85.7Confident114 Ų11467 Ų6759%0.58533%0.334SS*.Hα-helixtrans-73.2-43.2177.3-58.2172.9000109.9G46 V47 N52 K53G46-I49 WeakPolarHBondContact O-CB 3.37Å; G46-I49 PolarHBondContact O-N 3.23Å; V47-I49 VanDerWaalsContact C-N 3.25Å; V47-I49 PolarHBondContact O-N 2.91Å; I49-N52 PolarHBondContact O-N 3Å; I49-K53 PolarHBondContact O-N 3.2Å
50I88.9Confident85.8Confident20 Ų2065.2 Ų65.210%0.10333%0.325CS..Hα-helixtrans-62.6-47.8-179.3-60.7168.7000110.3A8 L11 D12 L15 G46 V47 N52 K53 I54A8-I50 HydrophobicContact CB-CD1 3.99Å; L11-I50 HydrophobicContact CB-CG2 3.62Å; D12-I50 HydrophobicContact CB-CD1 4.22Å; L15-I50 HydrophobicContact CD1-CG2 3.96Å; G46-I50 PolarHBondContact O-N 2.84Å; V47-I50 PolarHBondContact O-N 3.44Å; V47-I50 VanDerWaalsContact O-N 3.16Å; I50-N52 VanDerWaalsContact C-N 3.31Å; I50-N52 PolarHBondContact O-N 3.33Å; I50-K53 PolarHBondContact O-N 3.48Å; I50-I54 HydrophobicContact CG2-CD1 4.04Å; I50-I54 WeakPolarHBondContact O-CG1 3.4Å; I50-I54 PolarHBondContact O-N 3.32Å
51I89Confident85.8Confident1 Ų164 Ų641%0.00533%0.328CS..Hα-helixtrans-62.6-39.2177.3-64.7179.7000111.2L29 L32 V47 K53 I54 R55 M70 I71 W74L29-I51 HydrophobicContact CD2-CD1 3.94Å; L29-I51 HydrophobicContact CD2-CG1 3.95Å; L29-I51 HydrophobicContact CD2-CG2 4.05Å; L32-I51 HydrophobicContact CD1-CD1 3.96Å; L32-I51 HydrophobicContact CD1-CG1 4.48Å; V47-I51 HydrophobicContact CG1-CD1 3.7Å; V47-I51 HydrophobicContact CG1-CG1 3.99Å; V47-I51 WeakPolarHBondContact O-CG1 3.47Å; V47-I51 PolarHBondContact O-N 3.06Å; I51-K53 VanDerWaalsContact C-N 3.28Å; I51-K53 PolarHBondContact O-N 3.01Å; I51-I54 PolarHBondContact O-N 2.97Å; I51-R55 WeakPolarHBondContact O-CB 3.33Å; I51-R55 PolarHBondContact O-N 3.47Å; I51-M70 HydrophobicContact CD1-CE 3.65Å; I51-M70 HydrophobicContact CD1-SD 4.48Å; I51-I71 HydrophobicContact CG2-CD1 4.13Å; I51-I71 HydrophobicContact CG2-CG1 4.31Å; I51-W74 HydrophobicContact CD1-CH2 3.57Å; I51-W74 HydrophobicContact CD1-CZ3 3.53Å
52N88.5Confident85.9Confident60 Ų6067.7 Ų67.732%0.32135%0.345SS..Hα-helixtrans-67-30178.5-167.542.4000112.5G48 I49 I50 K56 I71G48-N52 WeakPolarHBondContact O-CB 3.49Å; G48-N52 PolarHBondContact O-N 2.94Å; I49-N52 PolarHBondContact O-N 3Å; I50-N52 VanDerWaalsContact C-N 3.31Å; I50-N52 PolarHBondContact O-N 3.33Å; N52-K56 WeakPolarHBondContact O-CG 3.23Å; N52-I71 HydrophobicContact CB-CD1 3.89Å
53K88.4Confident86Confident105 Ų10566.4 Ų66.446%0.45734%0.338SS..Hα-helixtrans-71.6-49.4170.5-73-178.2-175.8178.70111.5L15 I49 I50 I51 R55 K56 E57L15-K53 HydrophobicContact CD1-CB 3.74Å; L15-K53 HydrophobicContact CD1-CD 4.11Å; L15-K53 HydrophobicContact CD2-CB 4.16Å; I49-K53 PolarHBondContact O-N 3.2Å; I50-K53 PolarHBondContact O-N 3.48Å; I51-K53 VanDerWaalsContact C-N 3.28Å; I51-K53 PolarHBondContact O-N 3.01Å; K53-R55 VanDerWaalsContact C-N 3.3Å; K53-R55 PolarHBondContact O-N 3.32Å; K53-K56 WeakPolarHBondContact O-CA 3.48Å; K53-K56 WeakPolarHBondContact O-CB 3.38Å; K53-K56 PolarHBondContact O-N 3.38Å; K53-E57 PolarHBondContact O-N 3.4Å; K53-E57 VanDerWaalsContact O-N 3.11Å
54I86.3Confident86.1Confident4 Ų462.5 Ų62.52%0.02132%0.316CS..Hα-helixtrans-55.7-47178.8-71.5170.1000110.9L11 L15 A25 I50 I51 K56 E57 S58 V63L11-I54 HydrophobicContact CB-CD1 3.6Å; L11-I54 HydrophobicContact CD1-CD1 3.91Å; L11-I54 HydrophobicContact CD2-CD1 3.58Å; L11-I54 HydrophobicContact CG-CD1 3.86Å; L15-I54 HydrophobicContact CD1-CG1 4.01Å; L15-I54 HydrophobicContact CD2-CG1 3.65Å; L15-I54 HydrophobicContact CG-CD1 4.5Å; L15-I54 HydrophobicContact CG-CG1 3.81Å; A25-I54 HydrophobicContact CB-CG2 4.37Å; I50-I54 HydrophobicContact CG2-CD1 4.04Å; I50-I54 WeakPolarHBondContact O-CG1 3.4Å; I50-I54 PolarHBondContact O-N 3.32Å; I51-I54 PolarHBondContact O-N 2.97Å; I54-K56 PolarHBondContact O-N 2.95Å; I54-K56 VanDerWaalsContact O-N 3.08Å; I54-E57 PolarHBondContact O-N 3.35Å; I54-S58 WeakPolarHBondContact O-CB 3.45Å; I54-S58 PolarHBondContact O-N 3.34Å; I54-S58 PolarHBondContact O-OG 3.02Å; I54-V63 HydrophobicContact CG2-CG1 3.76Å
55R84.1Confident86.3Confident87 Ų8759.6 Ų59.633%0.32831%0.31SS..Hα-helixtrans-55-29.6176.5166.7-178162.4-141-10.3113.6I51 K53 A64 K68I51-R55 WeakPolarHBondContact O-CB 3.33Å; I51-R55 PolarHBondContact O-N 3.47Å; K53-R55 VanDerWaalsContact C-N 3.3Å; K53-R55 PolarHBondContact O-N 3.32Å; R55-A64 HydrophobicContact CG-CB 4.32Å; R55-K68 VanDerWaalsContact CZ-CE 3.44Å; R55-K68 VanDerWaalsContact CZ-CG 3.41Å; R55-K68 VanDerWaalsContact NE-CE 3.3Å; R55-K68 VanDerWaalsContact NE-CG 3.29Å; R55-K68 VanDerWaalsContact NH2-CE 3.27Å
56K85.8Confident86.3Confident162 Ų16259.9 Ų59.970%0.70431%0.31SS*.Hα-helixtrans-86-27.9-179.8-72.4178.8179-170.60112.7N52 K53 I54N52-K56 WeakPolarHBondContact O-CG 3.23Å; K53-K56 WeakPolarHBondContact O-CA 3.48Å; K53-K56 WeakPolarHBondContact O-CB 3.38Å; K53-K56 PolarHBondContact O-N 3.38Å; I54-K56 PolarHBondContact O-N 2.95Å; I54-K56 VanDerWaalsContact O-N 3.08Å
57E83.8Confident86.5Confident102 Ų10258.8 Ų58.848%0.47730%0.299SS..Hα-helixtrans-97.5-21.9-176.5-65.7-179.8-161.700112.9L15 I20 K53 I54L15-E57 WeakPolarHBondContact CD2-OE2 3.36Å; I20-E57 HydrophobicContact CD1-CB 3.21Å; I20-E57 HydrophobicContact CD1-CG 4.37Å; K53-E57 PolarHBondContact O-N 3.4Å; K53-E57 VanDerWaalsContact O-N 3.11Å; I54-E57 PolarHBondContact O-N 3.35Å
58S79Confident86.5Confident13 Ų1362.9 Ų62.99%0.09132%0.317CS..  trans-77.6133.2175.462.20000111.6I54 V63I54-S58 WeakPolarHBondContact O-CB 3.45Å; I54-S58 PolarHBondContact O-N 3.34Å; I54-S58 PolarHBondContact O-OG 3.02Å; S58-V63 WeakPolarHBondContact OG-CG1 3.42Å
59E80Confident86.6Confident188 Ų18865.9 Ų65.988%0.87933%0.327SS*.  trans-81.1-20.8175.2-64.8-177.1176.700112.4
60D85Confident86.6Confident44 Ų4460.6 Ų60.624%0.23530%0.3CS..  trans-73.2123.1-174.4-165.6-16.7000113.1D22 E62 V63 A64D22-D60 HydrophobicContact CB-CB 4.03Å; D60-E62 PolarHBondContact O-N 2.81Å; D60-E62 PolarHBondContact OD1-N 3.23Å; D60-E62 VanDerWaalsContact OD1-N 3.14Å; D60-V63 HydrophobicContact CB-CB 4.45Å; D60-V63 HydrophobicContact CB-CG2 4Å; D60-V63 PolarHBondContact O-N 2.63Å; D60-A64 PolarHBondContact O-N 3.48Å
61P85.7Confident86.5Confident95 Ų9560.9 Ų60.962%0.61730%0.302SS*.Hα-helixtrans-61.2-28.5178.224.9-36.4000113.8A64 T65P61-A64 PolarHBondContact O-N 2.9Å; P61-T65 WeakPolarHBondContact O-CB 3.44Å; P61-T65 VanDerWaalsContact O-CG2 3.3Å; P61-T65 WeakPolarHBondContact O-CG2 3.39Å; P61-T65 PolarHBondContact O-N 2.9Å; P61-T65 PolarHBondContact O-OG1 3.04Å
62E86.5Confident86.5Confident95 Ų9567.4 Ų67.444%0.44433%0.33SS..Hα-helixtrans-67.1-43.1178.6-71.8-159.3-174.500111.8L26 R30 D60 A64 T65 L66L26-E62 HydrophobicContact CD1-CB 4.29Å; L26-E62 HydrophobicContact CD2-CB 3.78Å; R30-E62 IonicContact NH2-OE2 3.53Å; R30-E62 PolarHBondContact NH2-OE2 3.45Å; D60-E62 PolarHBondContact O-N 2.81Å; D60-E62 PolarHBondContact OD1-N 3.23Å; D60-E62 VanDerWaalsContact OD1-N 3.14Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 3.36Å; E62-T65 PolarHBondContact O-N 3.07Å; E62-T65 PolarHBondContact O-OG1 3.18Å; E62-L66 WeakPolarHBondContact O-CB 3.44Å; E62-L66 WeakPolarHBondContact O-CG 3.47Å; E62-L66 PolarHBondContact O-N 3.22Å
63V87.5Confident86.4Confident1 Ų169.9 Ų69.91%0.00634%0.339CS..Hα-helixtrans-61.5-44.7176.8178.40000109.6A25 L26 L29 I54 S58 D60 G67A25-V63 HydrophobicContact CB-CG2 4.46Å; L26-V63 HydrophobicContact CD1-CG2 4.38Å; L26-V63 HydrophobicContact CD2-CB 4.33Å; L26-V63 HydrophobicContact CD2-CG2 3.54Å; L26-V63 HydrophobicContact CG-CG2 3.55Å; L29-V63 HydrophobicContact CD1-CB 4.41Å; L29-V63 HydrophobicContact CD1-CG1 3.73Å; I54-V63 HydrophobicContact CG2-CG1 3.76Å; S58-V63 WeakPolarHBondContact OG-CG1 3.42Å; D60-V63 HydrophobicContact CB-CB 4.45Å; D60-V63 HydrophobicContact CB-CG2 4Å; D60-V63 PolarHBondContact O-N 2.63Å; V63-G67 PolarHBondContact O-N 3.07Å
64A87.1Confident86.4Confident21 Ų2165.9 Ų65.917%0.17432%0.322CS..Hα-helixtrans-66.1-40.5-178.700000113R55 D60 P61 E62 K68R55-A64 HydrophobicContact CG-CB 4.32Å; D60-A64 PolarHBondContact O-N 3.48Å; P61-A64 PolarHBondContact O-N 2.9Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 3.36Å; A64-K68 WeakPolarHBondContact O-CB 3.34Å; A64-K68 VanDerWaalsContact O-CG 3.26Å; A64-K68 WeakPolarHBondContact O-CG 3.26Å; A64-K68 PolarHBondContact O-N 3.44Å
65T89.5Confident86.3Confident72 Ų7272.8 Ų72.844%0.44235%0.351SS..Hα-helixtrans-72.3-46.1179.951.80000112P61 E62 K68 N69P61-T65 WeakPolarHBondContact O-CB 3.44Å; P61-T65 VanDerWaalsContact O-CG2 3.3Å; P61-T65 WeakPolarHBondContact O-CG2 3.39Å; P61-T65 PolarHBondContact O-N 2.9Å; P61-T65 PolarHBondContact O-OG1 3.04Å; E62-T65 PolarHBondContact O-N 3.07Å; E62-T65 PolarHBondContact O-OG1 3.18Å; T65-K68 PolarHBondContact O-N 3.37Å; T65-N69 VanDerWaalsContact O-CG 3.3Å; T65-N69 PolarHBondContact O-N 3.32Å; T65-N69 PolarHBondContact O-ND2 3.03Å
66L89.1Confident86.3Confident25 Ų2577.5 Ų77.513%0.13137%0.374CS..Hα-helixtrans-60.1-46.6174.7-76.4173.9000111.3L26 R30 E62 K68 N69 M70L26-L66 HydrophobicContact CD2-CD1 3.93Å; R30-L66 HydrophobicContact CG-CD1 4.46Å; E62-L66 WeakPolarHBondContact O-CB 3.44Å; E62-L66 WeakPolarHBondContact O-CG 3.47Å; E62-L66 PolarHBondContact O-N 3.22Å; L66-K68 PolarHBondContact O-N 3.31Å; L66-N69 PolarHBondContact O-N 2.97Å; L66-M70 WeakPolarHBondContact O-CG 3.48Å; L66-M70 PolarHBondContact O-N 3.31Å
67G88.7Confident85.9Confident1 Ų173.5 Ų73.51%0.0136%0.36CS..Hα-helixtrans-60.1-43176.800000113V63 N69 I71V63-G67 PolarHBondContact O-N 3.07Å; G67-N69 PolarHBondContact O-N 2.92Å; G67-I71 VanDerWaalsContact O-CG1 3.27Å; G67-I71 WeakPolarHBondContact O-CG1 3.26Å; G67-I71 PolarHBondContact O-N 3.36Å
68K88.5Confident85.6Confident87 Ų8772.5 Ų72.538%0.37836%0.361SS..Hα-helixtrans-59.8-44.8174.1-79.1179.3-155.9-178.60111.9R55 A64 T65 L66 I71 K72R55-K68 VanDerWaalsContact CZ-CE 3.44Å; R55-K68 VanDerWaalsContact CZ-CG 3.41Å; R55-K68 VanDerWaalsContact NE-CE 3.3Å; R55-K68 VanDerWaalsContact NE-CG 3.29Å; R55-K68 VanDerWaalsContact NH2-CE 3.27Å; A64-K68 WeakPolarHBondContact O-CB 3.34Å; A64-K68 VanDerWaalsContact O-CG 3.26Å; A64-K68 WeakPolarHBondContact O-CG 3.26Å; A64-K68 PolarHBondContact O-N 3.44Å; T65-K68 PolarHBondContact O-N 3.37Å; L66-K68 PolarHBondContact O-N 3.31Å; K68-I71 PolarHBondContact O-N 3.42Å; K68-K72 WeakPolarHBondContact O-CB 3.47Å; K68-K72 WeakPolarHBondContact O-CG 3.42Å; K68-K72 PolarHBondContact O-N 2.94Å
69N89.6Confident85.4Confident86 Ų8676.6 Ų76.646%0.4639%0.387SS..Hα-helixtrans-66-42.7-176.9-72.1-19.1000111.5T65 L66 G67 K72 Q73T65-N69 VanDerWaalsContact O-CG 3.3Å; T65-N69 PolarHBondContact O-N 3.32Å; T65-N69 PolarHBondContact O-ND2 3.03Å; L66-N69 PolarHBondContact O-N 2.97Å; G67-N69 PolarHBondContact O-N 2.92Å; N69-K72 PolarHBondContact O-N 3.1Å; N69-Q73 WeakPolarHBondContact O-CG 3.27Å; N69-Q73 PolarHBondContact O-N 3Å
70M87.4Confident84.3Confident4 Ų474.4 Ų74.42%0.0238%0.381CS..Hα-helixtrans-63.6-46176-67.7169.766.800111.9L29 L32 I51 L66 K72 Q73 W74L29-M70 HydrophobicContact CB-SD 4.46Å; L29-M70 HydrophobicContact CD2-CE 4.45Å; L29-M70 HydrophobicContact CD2-SD 4.08Å; L32-M70 HydrophobicContact CB-CE 3.42Å; L32-M70 VanDerWaalsContact CB-CE 3.42Å; L32-M70 HydrophobicContact CD1-CE 4.34Å; I51-M70 HydrophobicContact CD1-CE 3.65Å; I51-M70 HydrophobicContact CD1-SD 4.48Å; L66-M70 WeakPolarHBondContact O-CG 3.48Å; L66-M70 PolarHBondContact O-N 3.31Å; M70-K72 VanDerWaalsContact C-N 3.31Å; M70-K72 PolarHBondContact O-N 3.04Å; M70-Q73 PolarHBondContact O-N 2.91Å; M70-W74 HydrophobicContact CB-CZ2 4.44Å; M70-W74 HydrophobicContact CE-CH2 3.5Å; M70-W74 VanDerWaalsContact CE-CH2 3.5Å; M70-W74 HydrophobicContact CE-CZ2 3.54Å; M70-W74 HydrophobicContact CE-CZ3 4.44Å; M70-W74 VanDerWaalsContact O-CG 3.25Å; M70-W74 PolarHBondContact O-N 3.22Å
71I87.8Confident82.9Confident26 Ų2682.9 Ų82.913%0.13342%0.416CS..Hα-helixtrans-61.6-39.8177-66.7166.5000111I51 N52 G67 K68 W74 K75I51-I71 HydrophobicContact CG2-CD1 4.13Å; I51-I71 HydrophobicContact CG2-CG1 4.31Å; N52-I71 HydrophobicContact CB-CD1 3.89Å; G67-I71 VanDerWaalsContact O-CG1 3.27Å; G67-I71 WeakPolarHBondContact O-CG1 3.26Å; G67-I71 PolarHBondContact O-N 3.36Å; K68-I71 PolarHBondContact O-N 3.42Å; I71-W74 PolarHBondContact O-N 3.4Å; I71-K75 HydrophobicContact CG2-CD 4.26Å; I71-K75 HydrophobicContact CG2-CG 4.33Å; I71-K75 WeakPolarHBondContact O-CB 3.38Å; I71-K75 VanDerWaalsContact O-CG 3.3Å; I71-K75 WeakPolarHBondContact O-CG 3.29Å; I71-K75 PolarHBondContact O-N 2.99Å
72K88Confident80.8Confident137 Ų13782.1 Ų82.160%0.59641%0.413SS*.Hα-helixtrans-64-42175.5-77.1178.6179.8-176.90112.1K68 N69 M70K68-K72 WeakPolarHBondContact O-CB 3.47Å; K68-K72 WeakPolarHBondContact O-CG 3.42Å; K68-K72 PolarHBondContact O-N 2.94Å; N69-K72 PolarHBondContact O-N 3.1Å; M70-K72 VanDerWaalsContact C-N 3.31Å; M70-K72 PolarHBondContact O-N 3.04Å
73Q87.5Confident78.6Confident113 Ų11386.6 Ų86.653%0.52843%0.434SS..Hα-helixtrans-63.5-44.2176.8-75.4176.4-31.800111.3N69 M70 K76N69-Q73 WeakPolarHBondContact O-CG 3.27Å; N69-Q73 PolarHBondContact O-N 3Å; M70-Q73 PolarHBondContact O-N 2.91Å; Q73-K76 WeakPolarHBondContact O-CB 3.38Å; Q73-K76 PolarHBondContact O-N 3.47Å
74W88.1Confident76.2Confident21 Ų2190.6 Ų90.68%0.0847%0.467CS..Hα-helixtrans-76.3-28.1-177.9-60.8-17000113.9M37 L42 V47 I51 M70 I71 K76 L77M37-W74 HydrophobicContact CB-CD2 4.47Å; M37-W74 HydrophobicContact CB-CG 4.48Å; M37-W74 HydrophobicContact CB-CZ2 4.19Å; M37-W74 VanDerWaalsContact CB-NE1 3.28Å; M37-W74 HydrophobicContact CE-CH2 3.67Å; M37-W74 HydrophobicContact CE-CZ2 3.43Å; M37-W74 VanDerWaalsContact CE-CZ2 3.43Å; M37-W74 HydrophobicContact CG-CD2 4.03Å; M37-W74 HydrophobicContact CG-CG 4.23Å; M37-W74 HydrophobicContact CG-CZ2 4.04Å; L42-W74 HydrophobicContact CD1-CB 3.89Å; L42-W74 HydrophobicContact CD1-CG 4.15Å; L42-W74 HydrophobicContact CD2-CB 4.09Å; L42-W74 HydrophobicContact CD2-CD2 3.92Å; L42-W74 HydrophobicContact CD2-CE3 3.52Å; L42-W74 HydrophobicContact CD2-CG 4.19Å; L42-W74 HydrophobicContact CD2-CZ3 4.14Å; V47-W74 HydrophobicContact CG1-CH2 3.82Å; V47-W74 HydrophobicContact CG1-CZ3 3.83Å; I51-W74 HydrophobicContact CD1-CH2 3.57Å; I51-W74 HydrophobicContact CD1-CZ3 3.53Å; M70-W74 HydrophobicContact CB-CZ2 4.44Å; M70-W74 HydrophobicContact CE-CH2 3.5Å; M70-W74 VanDerWaalsContact CE-CH2 3.5Å; M70-W74 HydrophobicContact CE-CZ2 3.54Å; M70-W74 HydrophobicContact CE-CZ3 4.44Å; M70-W74 VanDerWaalsContact O-CG 3.25Å; M70-W74 PolarHBondContact O-N 3.22Å; I71-W74 PolarHBondContact O-N 3.4Å; W74-K76 PolarHBondContact O-N 3.05Å; W74-L77 WeakPolarHBondContact O-CB 3.19Å; W74-L77 PolarHBondContact O-N 3.27Å
75K84.2Confident73.8Confident149 Ų14996 Ų9665%0.64850%0.501SS*.Hα-helixtrans-60.4-32.3171.5-83.8-175.2175.3-162.50112.5I71 L77 V78I71-K75 HydrophobicContact CG2-CD 4.26Å; I71-K75 HydrophobicContact CG2-CG 4.33Å; I71-K75 WeakPolarHBondContact O-CB 3.38Å; I71-K75 VanDerWaalsContact O-CG 3.3Å; I71-K75 WeakPolarHBondContact O-CG 3.29Å; I71-K75 PolarHBondContact O-N 2.99Å; K75-L77 PolarHBondContact O-N 3.32Å; K75-V78 PolarHBondContact O-N 2.95Å
76K84.1Confident71.5Confident185 Ų18599.5 Ų99.580%0.80452%0.521SS*.THydrogen-bonded Turntrans-66.8-16.6174.9-64.5-178.4177.4-1700113.5Q73 W74Q73-K76 WeakPolarHBondContact O-CB 3.38Å; Q73-K76 PolarHBondContact O-N 3.47Å; W74-K76 PolarHBondContact O-N 3.05Å
77L77.3Confident69Low79 Ų79103.2 Ų103.241%0.41455%0.549SS..THydrogen-bonded Turntrans-87.6-11.3177.5-57.7174.3000112.7M37 L42 W74 K75 P79M37-L77 WeakPolarHBondContact O-CD1 3.49Å; L42-L77 HydrophobicContact CD1-CD1 4.27Å; W74-L77 WeakPolarHBondContact O-CB 3.19Å; W74-L77 PolarHBondContact O-N 3.27Å; K75-L77 PolarHBondContact O-N 3.32Å; L77-P79 WeakPolarHBondContact O-CD 3.46Å
78V76.9Confident66.1Low81 Ų81108 Ų10849%0.49158%0.582SS.*SBendtrans-90113.7175.4-176.40000107.1L39 K75 D80L39-V78 HydrophobicContact CD1-CG2 4.13Å; K75-V78 PolarHBondContact O-N 2.95Å; V78-D80 PolarHBondContact O-N 2.97Å
79P74.2Confident63.3Low98 Ų98109.6 Ų109.664%0.63660%0.599SS**  trans-61.9123.6174.623.1-30000108.9L77 K81L77-P79 WeakPolarHBondContact O-CD 3.46Å; P79-K81 PolarHBondContact O-N 3.42Å
80D58.7Low60.5Low142 Ų142112.3 Ų112.376%0.75961%0.614SS**  trans-59.9123.9170.5-80.5-35.7000107.7V78 S82V78-D80 PolarHBondContact O-N 2.97Å; D80-S82 PolarHBondContact O-N 2.92Å
81K55.6Low58Low223 Ų223118.4 Ų118.497%0.9765%0.651SS**SBendtrans-69.322.2178.7-79.1-174.1173.5-175.60113.3P79P79-K81 PolarHBondContact O-N 3.42Å
82S41.5Very low55.7Low78 Ų78124.4 Ų124.455%0.54569%0.688SS.*  trans-133.1120.4-179.248.50000108D80D80-S82 PolarHBondContact O-N 2.92Å
83E38.7Very low53.3Low189 Ų189120.4 Ų120.488%0.88369%0.687SS**  trans109.272169.4-57.5178-163.400115.1
84A37.6Very low50.7Low86 Ų86121.9 Ų121.971%0.71170%0.698SS**  trans-61.8142.6141.100000109V86A84-V86 PolarHBondContact O-N 3.35Å
85P37.5Very low48.1Very low135 Ų135126.4 Ų126.488%0.87772%0.724SS**  trans-75.1113.3-168.728.7-31.9000111.1
86V41.4Very low45.8Very low144 Ų144126.4 Ų126.487%0.87373%0.731SS**  trans-91120.2167.9-90.30000110.9A84A84-V86 PolarHBondContact O-N 3.35Å
87S35.2Very low43.8Very low103 Ų103122.4 Ų122.472%0.7273%0.726SS**  trans-44.1136.8163.2-164.60000114.2
88C29Very low42Very low103 Ų103125.4 Ų125.470%0.69674%0.742SS**  trans50.8126.9141.7-55.40000122.3
89T29.1Very low40.1Very low120 Ų120129.1 Ų129.174%0.73676%0.76SS**  trans91.5124.4133.649.80000122.3
90N30.1Very low38.3Very low143 Ų143127.8 Ų127.877%0.76576%0.764SS**  trans79.6123.2152.6-54.4-16.4000115.4
91T34.7Very low37.4Very low131 Ų131128.5 Ų128.580%0.80477%0.767SS**  -168.1126.583.2-58.10000109.9
92V40.7Very low36.5Very low152 Ų152124.5 Ų124.592%0.92176%0.757SS**  trans-107.1123.1157.4175.80000106.3
93G37.6Very low36.5Very low54 Ų54128.3 Ų128.356%0.55777%0.771SS**  trans-101.4146177.200000112.9
94N32.4Very low36.5Very low144 Ų144126.1 Ų126.177%0.7777%0.766SS**  trans64140145.2-79.19000118.8
95N33Very low36.8Very low116 Ų116129.4 Ų129.462%0.6277%0.771SS**  cis-171.5146.88.3-101.7-18.8000108.2
96N37.5Very low37Very low148 Ų148131.7 Ų131.779%0.79177%0.767SS**  145.4121.2129.8-79.8-16.2000115.9
97S41.2Very low36.9Very low101 Ų101133.5 Ų133.571%0.70677%0.766SS**  trans57.9113.1138.7-70.60000122.4
98D39.8Very low37.2Very low142 Ų142134 Ų13476%0.75977%0.77SS**  125.1130106.7-103.8-19.6000117
99N37.4Very low37.5Very low159 Ų159134.9 Ų134.985%0.8577%0.774SS**  trans65.1129169.4-67.6-30.5000117.3
100G36.7Very low37.8Very low70 Ų70138 Ų13872%0.72278%0.78SS**  cis141.7131.414.200000108.1
101N38.1Very low38.1Very low157 Ų157136.6 Ų136.684%0.8478%0.781SS**  trans89.588.2172.1-75.2-9.7000121
102N38.1Very low38.1Very low139 Ų139137.2 Ų137.274%0.74378%0.78SS**  18.3120.1114.9-63.2-10.8000119.2
103N40.8Very low37.9Very low159 Ų159134.7 Ų134.785%0.8577%0.768SS**  -170.8137.5105.9-102.8-11.3000113.1
104D39.7Very low37.9Very low143 Ų143142 Ų14277%0.76578%0.781SS**  trans-64.4143.7-176.8-61.2-73000115.5
105N43.3Very low38.2Very low155 Ų155142.6 Ų142.683%0.82978%0.784SS**  -178.4107.1128.4-94.3-40.5000113.5
106K41Very low38.2Very low182 Ų182141.9 Ų141.979%0.79179%0.794SS**  54.499.3118.1-138.5-179.2-169.3178.20119.6
107H40.5Very low38.2Very low183 Ų183140.9 Ų140.985%0.84780%0.797SS**  175.6149.6116.3-113.436.6000114.1
108S40.7Very low37.8Very low114 Ų114143.5 Ų143.580%0.79780%0.804SS**  trans-64.1168.9-174-85.20000116.7
109P35.3Very low37.9Very low121 Ų121144.2 Ų144.279%0.78681%0.807SS**  trans-98.5146.6-151.137.2-31.5000114.6
110E35.3Very low37.9Very low186 Ų186139 Ų13987%0.86979%0.791SS**  trans-128.6123.6166.2-86.2-174.6153.900111.4
111S37.1Very low37.9Very low112 Ų112142.1 Ų142.178%0.78380%0.798SS**  trans34.1106.4148570000119.9
112N34.5Very low38.1Very low145 Ų145144 Ų14478%0.77580%0.802SS**  trans-84.2109.1159.3-111.4-2.4000110.1
113S35.4Very low37.7Very low98 Ų98146.3 Ų146.369%0.68581%0.808SS**  trans-98.2114.7162.7173.20000108.4N115S113-N115 PolarHBondContact O-N 2.84Å
114Y37.6Very low37.7Very low208 Ų208143.6 Ų143.682%0.81681%0.808SS**PPolyproline II helixtrans-76.4116.6172.7-77.7-74000110
115N38.7Very low37.7Very low156 Ų156146 Ų14683%0.83481%0.812SS**PPolyproline II helixtrans-69.6126.7173.9-69.3-46.9000111.1S113S113-N115 PolarHBondContact O-N 2.84Å
116A34.7Very low37.6Very low101 Ų101150.7 Ų150.784%0.83582%0.818SS**PPolyproline II helixtrans-82133.215700000108.8
117C36.6Very low37.5Very low127 Ų127147.1 Ų147.186%0.85882%0.816SS**  trans-112.5104.9167.454.70000109.2
118D33.4Very low37.3Very low157 Ų157149.6 Ų149.684%0.8482%0.818SS**  trans-76.9136.2157179.634.8000108
119D41.7Very low37.1Very low157 Ų157148.9 Ų148.984%0.8481%0.81SS**  trans-139.299174.8-137.8-30.1000108.5
120G36.7Very low37.2Very low49 Ų49148.3 Ų148.351%0.50581%0.809SS.*  trans-96.1157.2171.300000111.8
121P37Very low37.4Very low135 Ų135149.1 Ų149.188%0.87781%0.813SS**  trans-90.4142.6-156.134.3-33.1000114.2
122Q41.4Very low37.4Very low197 Ų197153.2 Ų153.292%0.92182%0.817SS**  trans-113.5124.8169.2-76.6-173-10.100112.6
123E31.3Very low37.6Very low187 Ų187155.4 Ų155.487%0.87482%0.82SS**  trans-69.3141.6166.2-64.3-173.6138.100111.9
124A40.8Very low37.6Very low103 Ų103158.6 Ų158.685%0.85182%0.824SS**  trans-158.1126.1146.800000112.4
125K37.8Very low37.3Very low194 Ų194153.7 Ų153.784%0.84382%0.82SS**  trans-73.3142.7-179.9-63.7163177.4167.40112.2
126R42.2Very low37.2Very low252 Ų252153.2 Ų153.295%0.95182%0.823SS**  trans-159145.6144.5-117.1175.1-178.4-144.20.3112.5
127S39.4Very low37.1Very low107 Ų107156.9 Ų156.975%0.74882%0.823SS**  trans-114136.4-153.1-5.80000113.1
128R35.2Very low37.4Very low235 Ų235159.1 Ų159.189%0.88782%0.824SS**  trans59.4168.1137.5-93.5-168.5169.8-146.3-0.3121.2
129P37.5Very low37.5Very low99 Ų99157.4 Ų157.464%0.64383%0.825SS**  cis-141.8168.1-25.133.3-13.3000117.2
130S36.8Very low37.1Very low109 Ų109153.3 Ų153.376%0.76282%0.82SS**  trans69122.6143.5-74.70000122.4
131E40.1Very low37Very low203 Ų203158.5 Ų158.595%0.94984%0.835SS**  -160.2149.3114.4-108.4176.3-17300112.7
132K36.3Very low37Very low198 Ų198156.8 Ų156.886%0.86183%0.833SS**  trans-96.5156.3-165.6-69.8171172.3177.90112.7
133K38.9Very low36.9Very low192 Ų192153.3 Ų153.384%0.83583%0.83SS**  trans151.3140.5136-88.4177.1179.9-173.40109.1
134E36.4Very low37.2Very low165 Ų165156.1 Ų156.177%0.77183%0.833SS**  cis-171.2145.81.2-171.1156.7-178.100106.5
135S31.1Very low36.8Very low105 Ų105154.7 Ų154.773%0.73483%0.828SS**  trans-88.3144.7-176.944.50000112.4
136T36.4Very low36.7Very low145 Ų145155 Ų15589%0.8983%0.83SS**  trans-149.6126.4150.2-430000111.2
137E32.8Very low36.7Very low179 Ų179152.5 Ų152.584%0.83683%0.826SS**  trans-77.6145.4177.4-53.6-179153.700111.6
138I41.3Very low36.9Very low173 Ų173151.4 Ų151.489%0.88782%0.817SS**  trans-139113147.2-58.1-177.2000109.2
139S35.4Very low37.6Very low122 Ų122144.3 Ų144.385%0.85380%0.799SS**  trans-66143.4167.3-179.60000111.8
140G34.9Very low38Very low71 Ų71146.7 Ų146.773%0.73280%0.802SS**  trans175.583.3172.900000117
141N35Very low38.7Very low157 Ų157147.6 Ų147.684%0.8480%0.803SS**  trans44.5110.3144.4-84-5.8000122.2
142A35.3Very low39.7Very low99 Ų99139 Ų13982%0.81876%0.763SS**  29.7106.7118.300000119
143S40.3Very low41.3Very low125 Ų125133.8 Ų133.887%0.87475%0.748SS**  trans-156.3139.3134.8-158.10000111.4
144R36.3Very low43.4Very low245 Ų245125.7 Ų125.793%0.92571%0.714SS**  trans-70.4143.6-178-69.3169.1-179.4138.70.7111.1
145G32.4Very low45.7Very low73 Ų73124.3 Ų124.375%0.75372%0.718SS**  trans103.8134.1157.300000114.4
146F36.2Very low48.5Very low202 Ų202122 Ų12289%0.88670%0.697SS**  trans85.584.2176.8-138.2-97.8000115.7
147F43.5Very low51.2Low198 Ų198122 Ų12287%0.86869%0.687SS**  trans-66.2125.8164.6-73.5-83000109.2V149F147-V149 PolarHBondContact O-N 3.49Å
148P43Very low54Low84 Ų84116.1 Ų116.155%0.54566%0.663SS.*  trans-76.3112.9-17929.2-29.7000109.6H150P148-H150 PolarHBondContact O-N 2.98Å
149V49.5Very low56.5Low86 Ų86109.3 Ų109.352%0.52163%0.626SS.*G310 helixtrans-62.14.5170.7178.70000112.5F147 T151 L152F147-V149 PolarHBondContact O-N 3.49Å; V149-T151 PolarHBondContact O-N 3.16Å; V149-L152 PolarHBondContact O-N 3.21Å
150H46.4Very low59.3Low150 Ų150106.8 Ų106.869%0.69460%0.603SS**G310 helixtrans-76.8-13-177-77.3-41.4000115.4P148 L152 T153P148-H150 PolarHBondContact O-N 2.98Å; H150-L152 PolarHBondContact O-N 2.97Å; H150-T153 PolarHBondContact O-OG1 3.46Å; H150-T153 VanDerWaalsContact O-OG1 3.05Å
151T50.9Low62.2Low128 Ų128108.3 Ų108.379%0.78559%0.589SS**G310 helixtrans-75-7171.456.80000112.9V149V149-T151 PolarHBondContact O-N 3.16Å
152L61.1Low65Low21 Ų21101.2 Ų101.211%0.1155%0.552CS.*SBendtrans-112.5-6.6-179.6-64.9170.5000113.3V149 H150 T154 R163 F184 I187 R188 S191V149-L152 PolarHBondContact O-N 3.21Å; H150-L152 PolarHBondContact O-N 2.97Å; L152-T154 PolarHBondContact O-N 3.49Å; L152-R163 PolarHBondContact O-NH1 2.97Å; L152-R163 PolarHBondContact O-NH2 3.4Å; L152-F184 HydrophobicContact CD1-CE2 4.1Å; L152-I187 HydrophobicContact CB-CG2 3.42Å; L152-I187 VanDerWaalsContact CB-CG2 3.42Å; L152-I187 HydrophobicContact CD1-CG2 3.69Å; L152-I187 HydrophobicContact CD2-CG2 3.97Å; L152-I187 HydrophobicContact CG-CG2 3.87Å; L152-R188 HydrophobicContact CD1-CG 4.37Å; L152-S191 WeakPolarHBondContact CD2-OG 3.46Å
153T70.9Confident67.9Low90 Ų9097.5 Ų97.555%0.55252%0.517SS*.  trans-74.6113.218043.50000110.4H150H150-T153 PolarHBondContact O-OG1 3.46Å; H150-T153 VanDerWaalsContact O-OG1 3.05Å
154T82Confident70.5Confident21 Ų2196.4 Ų96.413%0.12950%0.498CS..  trans-103.8143.7174.1-170.50000109.8L152 R159 L160 R163L152-T154 PolarHBondContact O-N 3.49Å; T154-R159 HydrophobicContact CG2-CB 3.68Å; T154-R159 WeakPolarHBondContact OG1-CD 3.5Å; T154-L160 HydrophobicContact CG2-CD2 3.82Å; T154-L160 HydrophobicContact CG2-CG 4.08Å; T154-R163 VanDerWaalsContact CG2-CZ 3.43Å
155T85.3Confident73.4Confident137 Ų13788.1 Ų88.184%0.8447%0.471SS*.  trans-97.3-9.9176.149.80000113Q157T155-Q157 PolarHBondContact O-N 3.28Å
156D90.4Very high76.4Confident55 Ų5584.6 Ų84.629%0.29444%0.435SS..  trans-73.2121.7-179.2-178.50.3000110.6V158 R159 L160 T200D156-V158 PolarHBondContact O-N 2.83Å; D156-V158 PolarHBondContact OD1-N 3.33Å; D156-R159 HydrophobicContact CB-CB 4.13Å; D156-R159 HydrophobicContact CB-CG 3.93Å; D156-R159 PolarHBondContact O-N 2.96Å; D156-R159 VanDerWaalsContact O-N 3.14Å; D156-L160 WeakPolarHBondContact O-CG 2.93Å; D156-L160 PolarHBondContact O-N 3.41Å; D156-T200 PolarHBondContact OD2-OG1 3.26Å
157Q91.8Very high79.2Confident147 Ų14777.5 Ų77.569%0.68740%0.404SS*.Hα-helixtrans-57.1-35.2178.8-65.3-62-32.400112.5T155 K161T155-Q157 PolarHBondContact O-N 3.28Å; Q157-K161 WeakPolarHBondContact O-CB 3.49Å; Q157-K161 PolarHBondContact O-N 3.08Å
158V93Very high81.7Confident55 Ų5571.4 Ų71.433%0.33339%0.386SS..Hα-helixtrans-70.8-39.4-179.7-1760000111D156 K161 A162 T200D156-V158 PolarHBondContact O-N 2.83Å; D156-V158 PolarHBondContact OD1-N 3.33Å; V158-K161 PolarHBondContact O-N 3.18Å; V158-A162 PolarHBondContact O-N 3.45Å; V158-T200 HydrophobicContact CB-CG2 3.62Å; V158-T200 HydrophobicContact CG1-CG2 3.27Å; V158-T200 HydrophobicContact CG2-CG2 4.24Å
159R94Very high84.1Confident30 Ų3067.4 Ų67.411%0.11336%0.36CS..Hα-helixtrans-70.3-39.6177.3-64.1-175.862.9-172.5-4.2111.6T154 D156 K161 A162 R163 E190 Y194T154-R159 HydrophobicContact CG2-CB 3.68Å; T154-R159 WeakPolarHBondContact OG1-CD 3.5Å; D156-R159 HydrophobicContact CB-CB 4.13Å; D156-R159 HydrophobicContact CB-CG 3.93Å; D156-R159 PolarHBondContact O-N 2.96Å; D156-R159 VanDerWaalsContact O-N 3.14Å; R159-K161 VanDerWaalsContact C-N 3.34Å; R159-K161 PolarHBondContact O-N 2.73Å; R159-A162 WeakPolarHBondContact O-CB 3.5Å; R159-A162 PolarHBondContact O-N 3.35Å; R159-R163 WeakPolarHBondContact O-CG 3.4Å; R159-R163 PolarHBondContact O-N 2.84Å; R159-E190 WeakPolarHBondContact CG-OE1 3.49Å; R159-E190 IonicContact CZ-OE1 2.73Å; R159-E190 IonicContact CZ-OE2 3.32Å; R159-E190 IonicContact NE-OE1 2.82Å; R159-E190 PolarHBondContact NE-OE1 3.03Å; R159-E190 IonicContact NE-OE2 3.32Å; R159-E190 IonicContact NH2-OE1 3.56Å; R159-E190 PolarHBondContact NH2-OE1 2.94Å; R159-E190 IonicContact NH2-OE2 2.74Å; R159-E190 PolarHBondContact NH2-OE2 2.75Å; R159-Y194 HydrophobicContact CG-CD2 4.39Å
160L93.7Very high86.2Confident69 Ų6963.3 Ų63.336%0.36134%0.335SS..Hα-helixtrans-59.7-44.7171.7-69.7176000111.2T154 D156 A162 R163 E164T154-L160 HydrophobicContact CG2-CD2 3.82Å; T154-L160 HydrophobicContact CG2-CG 4.08Å; D156-L160 WeakPolarHBondContact O-CG 2.93Å; D156-L160 PolarHBondContact O-N 3.41Å; L160-A162 VanDerWaalsContact C-N 3.33Å; L160-A162 PolarHBondContact O-N 2.92Å; L160-R163 WeakPolarHBondContact O-CB 3.48Å; L160-R163 PolarHBondContact O-N 3.12Å; L160-E164 PolarHBondContact O-N 3.43Å
161K94.8Very high88.4Confident103 Ų10360.6 Ų60.645%0.44832%0.323SS..Hα-helixtrans-64.5-37.4175.9-16867.7-168.3168.90112.6Q157 V158 R159 R163 E164 M165Q157-K161 WeakPolarHBondContact O-CB 3.49Å; Q157-K161 PolarHBondContact O-N 3.08Å; V158-K161 PolarHBondContact O-N 3.18Å; R159-K161 VanDerWaalsContact C-N 3.34Å; R159-K161 PolarHBondContact O-N 2.73Å; K161-R163 VanDerWaalsContact C-N 3.34Å; K161-R163 PolarHBondContact O-N 3.04Å; K161-E164 WeakPolarHBondContact CD-OE2 3.47Å; K161-E164 IonicContact NZ-OE1 3.46Å; K161-E164 PolarHBondContact NZ-OE1 3.23Å; K161-E164 IonicContact NZ-OE2 2.84Å; K161-E164 PolarHBondContact NZ-OE2 3.12Å; K161-E164 PolarHBondContact O-N 3.12Å; K161-M165 VanDerWaalsContact O-CG 3.29Å; K161-M165 WeakPolarHBondContact O-CG 3.42Å; K161-M165 PolarHBondContact O-N 3.35Å
162A95.1Very high90.2Very high7 Ų757.3 Ų57.36%0.05831%0.305CS..Hα-helixtrans-60.8-42.3174.800000112V158 R159 L160 M165 L166 E190 Y204 V208V158-A162 PolarHBondContact O-N 3.45Å; R159-A162 WeakPolarHBondContact O-CB 3.5Å; R159-A162 PolarHBondContact O-N 3.35Å; L160-A162 VanDerWaalsContact C-N 3.33Å; L160-A162 PolarHBondContact O-N 2.92Å; A162-M165 PolarHBondContact O-N 3.17Å; A162-L166 WeakPolarHBondContact O-CG 3.3Å; A162-L166 PolarHBondContact O-N 3.02Å; A162-E190 HydrophobicContact CB-CG 4.11Å; A162-Y204 WeakPolarHBondContact CB-OH 3.48Å; A162-V208 HydrophobicContact CB-CG1 3.82Å; A162-V208 HydrophobicContact CB-CG2 4.09Å
163R95.2Very high91.2Very high22 Ų2257.8 Ų57.88%0.08332%0.315CS..Hα-helixtrans-63.3-46.2175.8-68.7168.9-179.5-161.5-1.8112.1L152 T154 R159 L160 K161 M165 L166 Q167 E190L152-R163 PolarHBondContact O-NH1 2.97Å; L152-R163 PolarHBondContact O-NH2 3.4Å; T154-R163 VanDerWaalsContact CG2-CZ 3.43Å; R159-R163 WeakPolarHBondContact O-CG 3.4Å; R159-R163 PolarHBondContact O-N 2.84Å; L160-R163 WeakPolarHBondContact O-CB 3.48Å; L160-R163 PolarHBondContact O-N 3.12Å; K161-R163 VanDerWaalsContact C-N 3.34Å; K161-R163 PolarHBondContact O-N 3.04Å; R163-M165 VanDerWaalsContact C-N 3.31Å; R163-M165 PolarHBondContact O-N 3.4Å; R163-L166 PolarHBondContact O-N 3.24Å; R163-Q167 WeakPolarHBondContact O-CB 3.43Å; R163-Q167 PolarHBondContact O-N 3.48Å; R163-E190 HydrophobicContact CG-CB 3.6Å; R163-E190 HydrophobicContact CG-CG 3.74Å; R163-E190 IonicContact CZ-OE2 2.75Å; R163-E190 IonicContact NE-OE2 3.35Å; R163-E190 PolarHBondContact NE-OE2 3.43Å; R163-E190 IonicContact NH2-OE2 3.92Å; R163-E190 PolarHBondContact NH2-OE2 3.11Å
164E95.5Very high91.9Very high102 Ų10260.5 Ų60.548%0.47733%0.326SS..Hα-helixtrans-58.4-43.6176.4-170.3-162.4145.300111.4L160 K161 L166 Q167 S168L160-E164 PolarHBondContact O-N 3.43Å; K161-E164 WeakPolarHBondContact CD-OE2 3.47Å; K161-E164 IonicContact NZ-OE1 3.46Å; K161-E164 PolarHBondContact NZ-OE1 3.23Å; K161-E164 IonicContact NZ-OE2 2.84Å; K161-E164 PolarHBondContact NZ-OE2 3.12Å; K161-E164 PolarHBondContact O-N 3.12Å; E164-L166 PolarHBondContact O-N 3.14Å; E164-Q167 PolarHBondContact O-N 3.09Å; E164-S168 WeakPolarHBondContact O-CB 3.38Å; E164-S168 PolarHBondContact O-N 3.44Å
165M96.1Very high91.9Very high70 Ų7063.3 Ų63.335%0.34534%0.34SS..Hα-helixtrans-64.2-39.8177-70.6178.666.900112.5K161 A162 R163 A169 V212K161-M165 VanDerWaalsContact O-CG 3.29Å; K161-M165 WeakPolarHBondContact O-CG 3.42Å; K161-M165 PolarHBondContact O-N 3.35Å; A162-M165 PolarHBondContact O-N 3.17Å; R163-M165 VanDerWaalsContact C-N 3.31Å; R163-M165 PolarHBondContact O-N 3.4Å; M165-A169 WeakPolarHBondContact O-CB 3.5Å; M165-A169 PolarHBondContact O-N 3.25Å; M165-A169 VanDerWaalsContact O-N 3.09Å; M165-V212 HydrophobicContact CB-CG2 3.9Å; M165-V212 HydrophobicContact CE-CG1 4.44Å; M165-V212 HydrophobicContact CE-CG2 4.5Å
166L96Very high91.7Very high0 Ų058.6 Ų58.60%031%0.312CS..Hα-helixtrans-68.2-42.6176.7-74.9166.7000111.5A162 R163 E164 A169 L170 A186 I189 E190 V208 R211 V212 L215A162-L166 WeakPolarHBondContact O-CG 3.3Å; A162-L166 PolarHBondContact O-N 3.02Å; R163-L166 PolarHBondContact O-N 3.24Å; E164-L166 PolarHBondContact O-N 3.14Å; L166-A169 WeakPolarHBondContact O-CB 3.36Å; L166-A169 PolarHBondContact O-N 2.93Å; L166-L170 WeakPolarHBondContact O-CG 3.29Å; L166-L170 PolarHBondContact O-N 3.44Å; L166-A186 HydrophobicContact CB-CB 3.91Å; L166-I189 HydrophobicContact CD1-CB 4.33Å; L166-I189 HydrophobicContact CD1-CG2 3.95Å; L166-I189 HydrophobicContact CD2-CG2 4.17Å; L166-E190 HydrophobicContact CD1-CB 4Å; L166-V208 HydrophobicContact CG-CG1 4.42Å; L166-R211 HydrophobicContact CD2-CB 3.92Å; L166-V212 HydrophobicContact CD2-CG2 3.87Å; L166-V212 HydrophobicContact CG-CG2 4.17Å; L166-L215 HydrophobicContact CD2-CD1 4.28Å
167Q95Very high91.2Very high53 Ų5362.4 Ų62.425%0.24834%0.342CS..Hα-helixtrans-60.1-49.8175.7179.6179.8-5.400110.7R163 E164 A169 L170 E171 A186R163-Q167 WeakPolarHBondContact O-CB 3.43Å; R163-Q167 PolarHBondContact O-N 3.48Å; E164-Q167 PolarHBondContact O-N 3.09Å; Q167-A169 PolarHBondContact O-N 3.16Å; Q167-L170 PolarHBondContact O-N 3.27Å; Q167-E171 HydrophobicContact CG-CG 4.5Å; Q167-E171 VanDerWaalsContact CG-OE1 3.28Å; Q167-E171 WeakPolarHBondContact CG-OE1 3.3Å; Q167-E171 PolarHBondContact NE2-OE1 2.89Å; Q167-E171 WeakPolarHBondContact O-CG 3.42Å; Q167-E171 PolarHBondContact O-N 3.01Å; Q167-A186 HydrophobicContact CB-CB 3.85Å
168S95.3Very high90.8Very high69 Ų6958.5 Ų58.548%0.48334%0.341SS..Hα-helixtrans-58.4-34.2176.2179.80000112.5E164 S172E164-S168 WeakPolarHBondContact O-CB 3.38Å; E164-S168 PolarHBondContact O-N 3.44Å; S168-S172 PolarHBondContact O-N 3.33Å
169A95.1Very high90.5Very high0 Ų057 Ų570%034%0.335CS..Hα-helixtrans-68.1-40175.100000112.6M165 L166 Q167 S172 V212 L215 R216M165-A169 WeakPolarHBondContact O-CB 3.5Å; M165-A169 PolarHBondContact O-N 3.25Å; M165-A169 VanDerWaalsContact O-N 3.09Å; L166-A169 WeakPolarHBondContact O-CB 3.36Å; L166-A169 PolarHBondContact O-N 2.93Å; Q167-A169 PolarHBondContact O-N 3.16Å; A169-S172 WeakPolarHBondContact O-CB 3.48Å; A169-S172 PolarHBondContact O-N 3.3Å; A169-S172 PolarHBondContact O-OG 3.44Å; A169-V212 HydrophobicContact CB-CB 4.48Å; A169-V212 HydrophobicContact CB-CG1 4.18Å; A169-L215 HydrophobicContact CB-CB 3.81Å; A169-L215 HydrophobicContact CB-CD1 4.29Å; A169-R216 HydrophobicContact CB-CG 3.78Å
170L93.4Very high90.2Very high0 Ų062.2 Ų62.20%036%0.356CS..Hα-helixtrans-68.8-34.3176.8-68.5171.6000112.4L166 Q167 S172 L185 A186 I189 L215 R224 V227 L228L166-L170 WeakPolarHBondContact O-CG 3.29Å; L166-L170 PolarHBondContact O-N 3.44Å; Q167-L170 PolarHBondContact O-N 3.27Å; L170-S172 VanDerWaalsContact C-N 3.31Å; L170-S172 PolarHBondContact O-N 3.47Å; L170-L185 HydrophobicContact CD1-CB 3.84Å; L170-A186 HydrophobicContact CD1-CB 4.39Å; L170-I189 HydrophobicContact CD1-CD1 4.38Å; L170-L215 HydrophobicContact CD2-CD1 4.04Å; L170-L215 HydrophobicContact CD2-CD2 4.07Å; L170-L215 HydrophobicContact CG-CD1 4.35Å; L170-R224 HydrophobicContact CD2-CG 4.45Å; L170-R224 WeakPolarHBondContact O-CD 3.48Å; L170-V227 HydrophobicContact CD2-CG1 4Å; L170-L228 HydrophobicContact CB-CD2 4.48Å; L170-L228 HydrophobicContact CD2-CD2 4.4Å
171E91.7Very high90Very high94 Ų9465.9 Ų65.944%0.43937%0.371SS..THydrogen-bonded Turntrans-83.9-2.7179.5-67172.9-175.500113.6Q167 G173 I175Q167-E171 HydrophobicContact CG-CG 4.5Å; Q167-E171 VanDerWaalsContact CG-OE1 3.28Å; Q167-E171 WeakPolarHBondContact CG-OE1 3.3Å; Q167-E171 PolarHBondContact NE2-OE1 2.89Å; Q167-E171 WeakPolarHBondContact O-CG 3.42Å; Q167-E171 PolarHBondContact O-N 3.01Å; E171-G173 PolarHBondContact O-N 3.46Å; E171-I175 HydrophobicContact CG-CD1 4.38Å
172S88.4Confident89.8Confident58 Ų5861.5 Ų61.541%0.40635%0.353SS..SBendtrans-68.17.2-17564.90000115.5S168 A169 L170 R224S168-S172 PolarHBondContact O-N 3.33Å; A169-S172 WeakPolarHBondContact O-CB 3.48Å; A169-S172 PolarHBondContact O-N 3.3Å; A169-S172 PolarHBondContact O-OG 3.44Å; L170-S172 VanDerWaalsContact C-N 3.31Å; L170-S172 PolarHBondContact O-N 3.47Å; S172-R224 PolarHBondContact O-NH1 2.98Å; S172-R224 PolarHBondContact OG-NH1 2.89Å
173G83.3Confident89.7Confident31 Ų3166.7 Ų66.732%0.3238%0.376SS..SBendtrans-160.5-161.2176.700000113.2E171 I175E171-G173 PolarHBondContact O-N 3.46Å; G173-I175 PolarHBondContact O-N 2.95Å
174N84Confident89.5Confident148 Ų14870 Ų7079%0.79139%0.392SS*.PPolyproline II helixtrans-71.8123.1-176-16610.7000110.8
175I83.3Confident89.4Confident79 Ų7965.7 Ų65.741%0.40537%0.372SS..PPolyproline II helixtrans-91116.5177.2-56.3169.6000107.1E171 G173 A179E171-I175 HydrophobicContact CG-CD1 4.38Å; G173-I175 PolarHBondContact O-N 2.95Å; I175-A179 HydrophobicContact CG2-CB 3.89Å
176P80.6Confident89.3Confident39 Ų3962.4 Ų62.425%0.25336%0.356SS..PPolyproline II helixtrans-69.8147.9179.331.9-36.8000110.9G178 A179 L225 M229P176-G178 PolarHBondContact O-N 3.25Å; P176-G178 VanDerWaalsContact O-N 3.11Å; P176-A179 HydrophobicContact CG-CB 4.01Å; P176-A179 WeakPolarHBondContact O-CB 3.29Å; P176-A179 PolarHBondContact O-N 3.45Å; P176-A179 VanDerWaalsContact O-N 3.15Å; P176-L225 HydrophobicContact CB-CD1 4.37Å; P176-L225 HydrophobicContact CG-CD1 3.61Å; P176-M229 HydrophobicContact CG-SD 3.87Å
177S79.6Confident89.2Confident134 Ų13463.5 Ų63.594%0.93736%0.361SS*.THydrogen-bonded Turntrans-64.1110.9173.6-176.80000109.7
178G83.3Confident89.2Confident65 Ų6564.6 Ų64.667%0.6736%0.363SS*.THydrogen-bonded Turntrans114-1-176.200000115P176P176-G178 PolarHBondContact O-N 3.25Å; P176-G178 VanDerWaalsContact O-N 3.11Å
179A86.8Confident89.2Confident25 Ų2561.3 Ų61.321%0.20734%0.34CS..PPolyproline II helixtrans-64.1150.5169.600000112.2I175 P176 L228I175-A179 HydrophobicContact CG2-CB 3.89Å; P176-A179 HydrophobicContact CG-CB 4.01Å; P176-A179 WeakPolarHBondContact O-CB 3.29Å; P176-A179 PolarHBondContact O-N 3.45Å; P176-A179 VanDerWaalsContact O-N 3.15Å; A179-L228 WeakPolarHBondContact CA-O 3.37Å; A179-L228 HydrophobicContact CB-CB 3.87Å; A179-L228 HydrophobicContact CB-CD2 4.37Å
180Y87.6Confident89.2Confident138 Ų13861.3 Ų61.354%0.54134%0.34SS..PPolyproline II helixtrans-62.1149.8166.2-69.4-79.6000111S182 L228Y180-S182 PolarHBondContact O-N 3.2Å; Y180-L228 WeakPolarHBondContact CD2-O 3.33Å; Y180-L228 PolarHBondContact N-O 3.24Å
181E89.9Confident89.2Confident147 Ų14761.8 Ų61.869%0.68734%0.344SS*.PPolyproline II helixtrans-58.1127.8176.4-67.8177.817500110.9E183 F184 L185E181-E183 VanDerWaalsContact C-N 3.25Å; E181-E183 PolarHBondContact O-N 3.26Å; E181-F184 HydrophobicContact CB-CB 4.26Å; E181-F184 PolarHBondContact O-N 3.03Å; E181-L185 PolarHBondContact O-N 3.34Å
182S91.5Very high89.3Confident10 Ų1057.5 Ų57.57%0.0732%0.324CS..Hα-helixtrans-62.7-34.7-175.8-65.60000112Y180 A186Y180-S182 PolarHBondContact O-N 3.2Å; S182-A186 VanDerWaalsContact O-CB 3.26Å; S182-A186 WeakPolarHBondContact O-CB 3.42Å; S182-A186 PolarHBondContact O-N 2.92Å
183E91.6Very high89.6Confident116 Ų11654.7 Ų54.754%0.54231%0.305SS..Hα-helixtrans-63.3-51.4175.8-176.4174.8-172.300111.6E181 L185 A186 I187E181-E183 VanDerWaalsContact C-N 3.25Å; E181-E183 PolarHBondContact O-N 3.26Å; E183-L185 VanDerWaalsContact C-N 3.34Å; E183-L185 PolarHBondContact O-N 3.46Å; E183-A186 PolarHBondContact O-N 3.19Å; E183-I187 HydrophobicContact CG-CD1 4.06Å; E183-I187 VanDerWaalsContact O-CG1 3.27Å; E183-I187 WeakPolarHBondContact O-CG1 3.37Å; E183-I187 PolarHBondContact O-N 2.9Å
184F91.7Very high90.1Very high92 Ų9256 Ų5640%0.40430%0.3SS..Hα-helixtrans-61-42.6178.8-178.4-99.4000112L152 E181 I187 R188L152-F184 HydrophobicContact CD1-CE2 4.1Å; E181-F184 HydrophobicContact CB-CB 4.26Å; E181-F184 PolarHBondContact O-N 3.03Å; F184-I187 PolarHBondContact O-N 2.86Å; F184-R188 HydrophobicContact CD1-CG 4.29Å; F184-R188 HydrophobicContact CE1-CG 3.86Å; F184-R188 HydrophobicContact CE2-CG 4.4Å; F184-R188 HydrophobicContact CZ-CG 3.93Å; F184-R188 WeakPolarHBondContact O-CB 3.14Å; F184-R188 WeakPolarHBondContact O-CG 3.16Å; F184-R188 PolarHBondContact O-N 3.16Å
185L93.2Very high90.6Very high11 Ų1153.6 Ų53.66%0.05829%0.287CS..Hα-helixtrans-63.3-44.3175.5-77.3177.7000112.2L170 E181 E183 I187 R188 I189 V227 L228 P234L170-L185 HydrophobicContact CD1-CB 3.84Å; E181-L185 PolarHBondContact O-N 3.34Å; E183-L185 VanDerWaalsContact C-N 3.34Å; E183-L185 PolarHBondContact O-N 3.46Å; L185-I187 VanDerWaalsContact C-N 3.34Å; L185-I187 PolarHBondContact O-N 3.22Å; L185-R188 PolarHBondContact O-N 3.4Å; L185-R188 VanDerWaalsContact O-N 3.16Å; L185-I189 WeakPolarHBondContact O-CB 3.41Å; L185-I189 WeakPolarHBondContact O-CD1 3.42Å; L185-I189 WeakPolarHBondContact O-CG1 3.48Å; L185-I189 PolarHBondContact O-N 3.11Å; L185-V227 HydrophobicContact CD1-CG1 4.46Å; L185-L228 HydrophobicContact CD1-CD2 4Å; L185-P234 HydrophobicContact CD2-CG 4.27Å
186A94.7Very high91Very high1 Ų154.5 Ų54.51%0.00829%0.292CS..Hα-helixtrans-61.5-43.3179.200000111.9L166 Q167 L170 S182 E183 R188 E190L166-A186 HydrophobicContact CB-CB 3.91Å; Q167-A186 HydrophobicContact CB-CB 3.85Å; L170-A186 HydrophobicContact CD1-CB 4.39Å; S182-A186 VanDerWaalsContact O-CB 3.26Å; S182-A186 WeakPolarHBondContact O-CB 3.42Å; S182-A186 PolarHBondContact O-N 2.92Å; E183-A186 PolarHBondContact O-N 3.19Å; A186-R188 VanDerWaalsContact C-N 3.33Å; A186-R188 PolarHBondContact O-N 3.38Å; A186-E190 WeakPolarHBondContact O-CB 3.49Å; A186-E190 PolarHBondContact O-N 2.89Å
187I93.7Very high91.5Very high24 Ų2455.6 Ų55.612%0.12329%0.293CS..Hα-helixtrans-58.9-46.8173.5-68.8168.7000110.3L152 E183 F184 L185 E190 S191L152-I187 HydrophobicContact CB-CG2 3.42Å; L152-I187 VanDerWaalsContact CB-CG2 3.42Å; L152-I187 HydrophobicContact CD1-CG2 3.69Å; L152-I187 HydrophobicContact CD2-CG2 3.97Å; L152-I187 HydrophobicContact CG-CG2 3.87Å; E183-I187 HydrophobicContact CG-CD1 4.06Å; E183-I187 VanDerWaalsContact O-CG1 3.27Å; E183-I187 WeakPolarHBondContact O-CG1 3.37Å; E183-I187 PolarHBondContact O-N 2.9Å; F184-I187 PolarHBondContact O-N 2.86Å; L185-I187 VanDerWaalsContact C-N 3.34Å; L185-I187 PolarHBondContact O-N 3.22Å; I187-E190 PolarHBondContact O-N 3.28Å; I187-S191 PolarHBondContact O-N 3.38Å; I187-S191 PolarHBondContact O-OG 3.25Å
188R94.1Very high91.9Very high75 Ų7554.6 Ų54.628%0.28328%0.278SS..Hα-helixtrans-65.4-44.9-178.2-81-88.234.7-170.5-8.3112.7L152 F184 L185 A186 E190 S191 S192 P234 D235L152-R188 HydrophobicContact CD1-CG 4.37Å; F184-R188 HydrophobicContact CD1-CG 4.29Å; F184-R188 HydrophobicContact CE1-CG 3.86Å; F184-R188 HydrophobicContact CE2-CG 4.4Å; F184-R188 HydrophobicContact CZ-CG 3.93Å; F184-R188 WeakPolarHBondContact O-CB 3.14Å; F184-R188 WeakPolarHBondContact O-CG 3.16Å; F184-R188 PolarHBondContact O-N 3.16Å; L185-R188 PolarHBondContact O-N 3.4Å; L185-R188 VanDerWaalsContact O-N 3.16Å; A186-R188 VanDerWaalsContact C-N 3.33Å; A186-R188 PolarHBondContact O-N 3.38Å; R188-E190 VanDerWaalsContact C-N 3.35Å; R188-S191 PolarHBondContact O-N 2.81Å; R188-S192 PolarHBondContact NH2-OG 3.46Å; R188-S192 WeakPolarHBondContact O-CB 3.42Å; R188-S192 PolarHBondContact O-N 2.75Å; R188-S192 PolarHBondContact O-OG 3.18Å; R188-P234 HydrophobicContact CB-CB 4.03Å; R188-P234 HydrophobicContact CB-CG 3.95Å; R188-D235 IonicContact NH2-OD1 3.47Å
189I95Very high92.2Very high0 Ų055.2 Ų55.20%027%0.265CS..Hα-helixtrans-61.8-44.8177.1-66.4161000110L166 L170 L185 S192 I193 V227 P234 L237L166-I189 HydrophobicContact CD1-CB 4.33Å; L166-I189 HydrophobicContact CD1-CG2 3.95Å; L166-I189 HydrophobicContact CD2-CG2 4.17Å; L170-I189 HydrophobicContact CD1-CD1 4.38Å; L185-I189 WeakPolarHBondContact O-CB 3.41Å; L185-I189 WeakPolarHBondContact O-CD1 3.42Å; L185-I189 WeakPolarHBondContact O-CG1 3.48Å; L185-I189 PolarHBondContact O-N 3.11Å; I189-S192 PolarHBondContact O-N 3.15Å; I189-I193 HydrophobicContact CG2-CD1 3.83Å; I189-I193 HydrophobicContact CG2-CG1 4.45Å; I189-I193 VanDerWaalsContact O-CG1 3.26Å; I189-I193 WeakPolarHBondContact O-CG1 3.27Å; I189-I193 PolarHBondContact O-N 3.3Å; I189-V227 HydrophobicContact CD1-CG1 4.23Å; I189-P234 HydrophobicContact CG1-CB 3.88Å; I189-P234 HydrophobicContact CG1-CG 4.44Å; I189-L237 HydrophobicContact CD1-CD2 3.62Å; I189-L237 HydrophobicContact CG1-CD2 3.95Å; I189-L237 HydrophobicContact CG2-CD2 4.22Å
190E95.2Very high92.5Very high0 Ų055.2 Ų55.20%026%0.263CS..Hα-helixtrans-62.2-46.6178.2-172.5-83.2148.300111.8R159 A162 R163 L166 A186 I187 R188 S192 I193 Y194 Y204R159-E190 WeakPolarHBondContact CG-OE1 3.49Å; R159-E190 IonicContact CZ-OE1 2.73Å; R159-E190 IonicContact CZ-OE2 3.32Å; R159-E190 IonicContact NE-OE1 2.82Å; R159-E190 PolarHBondContact NE-OE1 3.03Å; R159-E190 IonicContact NE-OE2 3.32Å; R159-E190 IonicContact NH2-OE1 3.56Å; R159-E190 PolarHBondContact NH2-OE1 2.94Å; R159-E190 IonicContact NH2-OE2 2.74Å; R159-E190 PolarHBondContact NH2-OE2 2.75Å; A162-E190 HydrophobicContact CB-CG 4.11Å; R163-E190 HydrophobicContact CG-CB 3.6Å; R163-E190 HydrophobicContact CG-CG 3.74Å; R163-E190 IonicContact CZ-OE2 2.75Å; R163-E190 IonicContact NE-OE2 3.35Å; R163-E190 PolarHBondContact NE-OE2 3.43Å; R163-E190 IonicContact NH2-OE2 3.92Å; R163-E190 PolarHBondContact NH2-OE2 3.11Å; L166-E190 HydrophobicContact CD1-CB 4Å; A186-E190 WeakPolarHBondContact O-CB 3.49Å; A186-E190 PolarHBondContact O-N 2.89Å; I187-E190 PolarHBondContact O-N 3.28Å; R188-E190 VanDerWaalsContact C-N 3.35Å; E190-S192 VanDerWaalsContact C-N 3.34Å; E190-S192 PolarHBondContact O-N 2.67Å; E190-I193 PolarHBondContact O-N 2.87Å; E190-Y194 WeakPolarHBondContact O-CB 3.31Å; E190-Y194 PolarHBondContact O-N 3.38Å; E190-Y204 WeakPolarHBondContact CG-OH 3.15Å; E190-Y204 PolarHBondContact OE1-OH 3.42Å
191S93.7Very high92.7Very high10 Ų1052.2 Ų52.27%0.0726%0.256CS..Hα-helixtrans-59.4-45.3176-66.30000111.4L152 I187 R188 I193 Y194 D195L152-S191 WeakPolarHBondContact CD2-OG 3.46Å; I187-S191 PolarHBondContact O-N 3.38Å; I187-S191 PolarHBondContact O-OG 3.25Å; R188-S191 PolarHBondContact O-N 2.81Å; S191-I193 VanDerWaalsContact C-N 3.29Å; S191-I193 PolarHBondContact O-N 3.31Å; S191-Y194 WeakPolarHBondContact O-CB 3.35Å; S191-Y194 PolarHBondContact O-N 3.23Å; S191-Y194 VanDerWaalsContact O-N 3.08Å; S191-D195 PolarHBondContact O-N 3.02Å
192S94.2Very high92.9Very high4 Ų449.9 Ų49.93%0.02825%0.254CS..Hα-helixtrans-64.3-31.5177.5-55.90000113R188 I189 E190 L196 D235R188-S192 PolarHBondContact NH2-OG 3.46Å; R188-S192 WeakPolarHBondContact O-CB 3.42Å; R188-S192 PolarHBondContact O-N 2.75Å; R188-S192 PolarHBondContact O-OG 3.18Å; I189-S192 PolarHBondContact O-N 3.15Å; E190-S192 VanDerWaalsContact C-N 3.34Å; E190-S192 PolarHBondContact O-N 2.67Å; S192-L196 WeakPolarHBondContact O-CG 3.47Å; S192-D235 VanDerWaalsContact CB-OD1 3.27Å; S192-D235 WeakPolarHBondContact CB-OD1 3.42Å; S192-D235 PolarHBondContact OG-OD1 2.62Å
193I95Very high93Very high0 Ų056.9 Ų56.90%028%0.283CS..Hα-helixtrans-71.6-42.2171.8-67.6167.1000110.3I189 E190 S191 L196 F197 Y204 R207 V208 R211 A238I189-I193 HydrophobicContact CG2-CD1 3.83Å; I189-I193 HydrophobicContact CG2-CG1 4.45Å; I189-I193 VanDerWaalsContact O-CG1 3.26Å; I189-I193 WeakPolarHBondContact O-CG1 3.27Å; I189-I193 PolarHBondContact O-N 3.3Å; E190-I193 PolarHBondContact O-N 2.87Å; S191-I193 VanDerWaalsContact C-N 3.29Å; S191-I193 PolarHBondContact O-N 3.31Å; I193-L196 PolarHBondContact O-N 3.45Å; I193-F197 HydrophobicContact CG2-CD2 4.18Å; I193-F197 HydrophobicContact CG2-CE2 4.17Å; I193-F197 VanDerWaalsContact O-CD2 3.29Å; I193-F197 WeakPolarHBondContact O-CD2 3.36Å; I193-Y204 HydrophobicContact CB-CE2 4.49Å; I193-Y204 HydrophobicContact CG2-CD2 3.7Å; I193-Y204 HydrophobicContact CG2-CE2 3.87Å; I193-R207 HydrophobicContact CD1-CG 4.35Å; I193-R207 HydrophobicContact CG1-CG 4.2Å; I193-R207 HydrophobicContact CG2-CB 4.02Å; I193-R207 HydrophobicContact CG2-CG 3.81Å; I193-V208 HydrophobicContact CD1-CG2 4.19Å; I193-V208 HydrophobicContact CG2-CG2 4.19Å; I193-R211 HydrophobicContact CD1-CG 4.04Å; I193-A238 HydrophobicContact CG1-CB 3.69Å
194Y94.5Very high93.3Very high58 Ų5851.5 Ų51.523%0.22726%0.258CS..Hα-helixtrans-62.7-43.2178.7-172.7-93.5000111.2R159 E190 S191 L196 F197 N198 Y204R159-Y194 HydrophobicContact CG-CD2 4.39Å; E190-Y194 WeakPolarHBondContact O-CB 3.31Å; E190-Y194 PolarHBondContact O-N 3.38Å; S191-Y194 WeakPolarHBondContact O-CB 3.35Å; S191-Y194 PolarHBondContact O-N 3.23Å; S191-Y194 VanDerWaalsContact O-N 3.08Å; Y194-L196 PolarHBondContact O-N 3.16Å; Y194-L196 VanDerWaalsContact O-N 3.12Å; Y194-F197 PolarHBondContact O-N 2.53Å; Y194-N198 WeakPolarHBondContact O-CA 3.42Å; Y194-N198 PolarHBondContact O-N 3.22Å; Y194-N198 PolarHBondContact O-OD1 2.73Å; Y194-Y204 HydrophobicContact CD2-CD2 4.45Å; Y194-Y204 HydrophobicContact CD2-CE2 4.09Å
195D92.7Very high93.4Very high98 Ų9851 Ų5152%0.52426%0.255SS..Hα-helixtrans-60.3-22.5178.5-64-19.7000113.2S191 N198S191-D195 PolarHBondContact O-N 3.02Å; D195-N198 PolarHBondContact O-OD1 3.02Å; D195-N198 VanDerWaalsContact O-OD1 3.12Å
196L91.7Very high93.5Very high97 Ų9755.2 Ų55.251%0.50828%0.275SS..Hα-helixtrans-80.2-29.5175.9-68.8172.3000113.5S192 I193 Y194 A238S192-L196 WeakPolarHBondContact O-CG 3.47Å; I193-L196 PolarHBondContact O-N 3.45Å; Y194-L196 PolarHBondContact O-N 3.16Å; Y194-L196 VanDerWaalsContact O-N 3.12Å; L196-A238 HydrophobicContact CD1-CB 3.98Å
197F91.1Very high93.5Very high63 Ų6358.7 Ų58.728%0.27629%0.288SS..Hα-helixtrans-111.2-23.3-174.7-64.5-72.5000113.2I193 Y194 N199 K203 Y204 R207I193-F197 HydrophobicContact CG2-CD2 4.18Å; I193-F197 HydrophobicContact CG2-CE2 4.17Å; I193-F197 VanDerWaalsContact O-CD2 3.29Å; I193-F197 WeakPolarHBondContact O-CD2 3.36Å; Y194-F197 PolarHBondContact O-N 2.53Å; F197-N199 PolarHBondContact O-N 3.43Å; F197-K203 HydrophobicContact CD1-CB 4.15Å; F197-K203 HydrophobicContact CE1-CB 3.84Å; F197-K203 HydrophobicContact CZ-CB 4.46Å; F197-Y204 HydrophobicContact CD2-CD2 4.38Å; F197-R207 HydrophobicContact CE2-CB 3.79Å; F197-R207 HydrophobicContact CE2-CG 4.01Å; F197-R207 HydrophobicContact CZ-CB 4.23Å
198N88.8Confident93.6Very high113 Ų11357.8 Ų57.860%0.60428%0.283SS*.SBendtrans50.417.2-174.1-64.9-13.7000115.1Y194 D195Y194-N198 WeakPolarHBondContact O-CA 3.42Å; Y194-N198 PolarHBondContact O-N 3.22Å; Y194-N198 PolarHBondContact O-OD1 2.73Å; D195-N198 PolarHBondContact O-OD1 3.02Å; D195-N198 VanDerWaalsContact O-OD1 3.12Å
199N90.4Very high93.7Very high77 Ų7760.1 Ų60.141%0.41229%0.292SS..SBendtrans-157.5158.8-179.5-165.314000111.1F197 D201 Y204F197-N199 PolarHBondContact O-N 3.43Å; N199-D201 PolarHBondContact ND2-OD1 3.39Å; N199-D201 PolarHBondContact ND2-OD2 3.28Å; N199-D201 PolarHBondContact O-N 2.86Å; N199-Y204 WeakPolarHBondContact O-CB 3.26Å
200T91.3Very high93.7Very high25 Ų2561 Ų6115%0.15330%0.298CS..  trans-9240.3-177.4-47.30000112D156 V158 Y204 K205D156-T200 PolarHBondContact OD2-OG1 3.26Å; V158-T200 HydrophobicContact CB-CG2 3.62Å; V158-T200 HydrophobicContact CG1-CG2 3.27Å; V158-T200 HydrophobicContact CG2-CG2 4.24Å; T200-Y204 HydrophobicContact CG2-CD1 3.88Å; T200-Y204 HydrophobicContact CG2-CE1 3.9Å; T200-K205 WeakPolarHBondContact O-CE 3.48Å
201D92.9Very high93.7Very high76 Ų7661.2 Ų61.241%0.40630%0.298SS..  trans-70.5166-176.8-80-31.2000113.3N199 K203 Y204 K205N199-D201 PolarHBondContact ND2-OD1 3.39Å; N199-D201 PolarHBondContact ND2-OD2 3.28Å; N199-D201 PolarHBondContact O-N 2.86Å; D201-K203 PolarHBondContact O-N 2.91Å; D201-K203 VanDerWaalsContact O-N 3.1Å; D201-Y204 WeakPolarHBondContact O-CB 3.38Å; D201-Y204 PolarHBondContact O-N 3.38Å; D201-K205 PolarHBondContact O-N 3.13Å
202P94.2Very high93.8Very high97 Ų9761.2 Ų61.263%0.6330%0.298SS*.Hα-helixtrans-53.7-30.2173.317.6-30.4000113.3K205 Q206P202-K205 PolarHBondContact O-N 3.15Å; P202-Q206 VanDerWaalsContact O-CB 3.27Å; P202-Q206 WeakPolarHBondContact O-CB 3.47Å; P202-Q206 PolarHBondContact O-N 3.48Å
203K94.3Very high93.8Very high158 Ų15866.9 Ų66.969%0.68733%0.325SS*.Hα-helixtrans-64.7-44.9173.5-67.7-176.9179.9177.90112.5F197 D201 Q206 R207F197-K203 HydrophobicContact CD1-CB 4.15Å; F197-K203 HydrophobicContact CE1-CB 3.84Å; F197-K203 HydrophobicContact CZ-CB 4.46Å; D201-K203 PolarHBondContact O-N 2.91Å; D201-K203 VanDerWaalsContact O-N 3.1Å; K203-Q206 PolarHBondContact O-N 2.87Å; K203-R207 PolarHBondContact O-N 3.07Å
204Y96Very high93.8Very high2 Ų267.8 Ų67.81%0.00833%0.331CS..Hα-helixtrans-59.7-51.3173.1163.3-89.7000110.6A162 E190 I193 Y194 F197 N199 T200 D201 Q206 R207 V208A162-Y204 WeakPolarHBondContact CB-OH 3.48Å; E190-Y204 WeakPolarHBondContact CG-OH 3.15Å; E190-Y204 PolarHBondContact OE1-OH 3.42Å; I193-Y204 HydrophobicContact CB-CE2 4.49Å; I193-Y204 HydrophobicContact CG2-CD2 3.7Å; I193-Y204 HydrophobicContact CG2-CE2 3.87Å; Y194-Y204 HydrophobicContact CD2-CD2 4.45Å; Y194-Y204 HydrophobicContact CD2-CE2 4.09Å; F197-Y204 HydrophobicContact CD2-CD2 4.38Å; N199-Y204 WeakPolarHBondContact O-CB 3.26Å; T200-Y204 HydrophobicContact CG2-CD1 3.88Å; T200-Y204 HydrophobicContact CG2-CE1 3.9Å; D201-Y204 WeakPolarHBondContact O-CB 3.38Å; D201-Y204 PolarHBondContact O-N 3.38Å; Y204-Q206 VanDerWaalsContact C-N 3.27Å; Y204-Q206 PolarHBondContact O-N 2.93Å; Y204-R207 WeakPolarHBondContact O-CB 3.27Å; Y204-R207 PolarHBondContact O-N 3.16Å; Y204-V208 HydrophobicContact CE1-CG2 4.12Å; Y204-V208 HydrophobicContact CE2-CG2 4.22Å; Y204-V208 PolarHBondContact O-N 3.13Å
205K95.2Very high93.8Very high82 Ų8265.2 Ų65.236%0.35732%0.32SS..Hα-helixtrans-58.9-40.7179.3-65.1178.4-177.6173.80111.4T200 D201 P202 V208 R209T200-K205 WeakPolarHBondContact O-CE 3.48Å; D201-K205 PolarHBondContact O-N 3.13Å; P202-K205 PolarHBondContact O-N 3.15Å; K205-V208 PolarHBondContact O-N 3.15Å; K205-R209 WeakPolarHBondContact O-CG 3.49Å; K205-R209 PolarHBondContact O-N 3.31Å
206Q94.9Very high93.8Very high100 Ų10068 Ų6847%0.46732%0.324SS..Hα-helixtrans-65.1-41.7176.7-173.457.724.800111.8P202 K203 Y204 V208 R209 T210P202-Q206 VanDerWaalsContact O-CB 3.27Å; P202-Q206 WeakPolarHBondContact O-CB 3.47Å; P202-Q206 PolarHBondContact O-N 3.48Å; K203-Q206 PolarHBondContact O-N 2.87Å; Y204-Q206 VanDerWaalsContact C-N 3.27Å; Y204-Q206 PolarHBondContact O-N 2.93Å; Q206-V208 PolarHBondContact O-N 3.3Å; Q206-R209 PolarHBondContact O-N 3.28Å; Q206-T210 WeakPolarHBondContact O-CB 3.19Å; Q206-T210 PolarHBondContact O-N 3.36Å; Q206-T210 PolarHBondContact O-OG1 2.96Å; Q206-T210 VanDerWaalsContact O-OG1 3.07Å
207R94.9Very high93.8Very high74 Ų7466.1 Ų66.128%0.27931%0.314SS..Hα-helixtrans-59.4-47176.4-171.962.460.3122.7-5.1111.2I193 F197 K203 Y204 T210 R211 A238 S239I193-R207 HydrophobicContact CD1-CG 4.35Å; I193-R207 HydrophobicContact CG1-CG 4.2Å; I193-R207 HydrophobicContact CG2-CB 4.02Å; I193-R207 HydrophobicContact CG2-CG 3.81Å; F197-R207 HydrophobicContact CE2-CB 3.79Å; F197-R207 HydrophobicContact CE2-CG 4.01Å; F197-R207 HydrophobicContact CZ-CB 4.23Å; K203-R207 PolarHBondContact O-N 3.07Å; Y204-R207 WeakPolarHBondContact O-CB 3.27Å; Y204-R207 PolarHBondContact O-N 3.16Å; R207-T210 PolarHBondContact O-N 3.41Å; R207-R211 WeakPolarHBondContact O-CG 3.4Å; R207-R211 PolarHBondContact O-N 3.45Å; R207-A238 PolarHBondContact NH1-O 3.01Å; R207-S239 PolarHBondContact NH1-O 3.49Å
208V96.1Very high93.7Very high5 Ų568 Ų683%0.0334%0.335CS..Hα-helixtrans-58.4-50.6175.9174.70000110.9A162 L166 I193 Y204 K205 Q206 T210 R211 V212A162-V208 HydrophobicContact CB-CG1 3.82Å; A162-V208 HydrophobicContact CB-CG2 4.09Å; L166-V208 HydrophobicContact CG-CG1 4.42Å; I193-V208 HydrophobicContact CD1-CG2 4.19Å; I193-V208 HydrophobicContact CG2-CG2 4.19Å; Y204-V208 HydrophobicContact CE1-CG2 4.12Å; Y204-V208 HydrophobicContact CE2-CG2 4.22Å; Y204-V208 PolarHBondContact O-N 3.13Å; K205-V208 PolarHBondContact O-N 3.15Å; Q206-V208 PolarHBondContact O-N 3.3Å; V208-T210 VanDerWaalsContact C-N 3.34Å; V208-T210 PolarHBondContact O-N 3.36Å; V208-R211 PolarHBondContact O-N 3.33Å; V208-R211 VanDerWaalsContact O-N 3.1Å; V208-V212 HydrophobicContact CG1-CG2 4.31Å; V208-V212 WeakPolarHBondContact O-CG2 3.41Å; V208-V212 PolarHBondContact O-N 3.43Å
209R95.5Very high93.7Very high123 Ų12369 Ų6946%0.46434%0.341SS..Hα-helixtrans-58-44.7178.9-71.8-177.8-155.2112.2-1.1112.4K205 Q206 R211 V212 M213K205-R209 WeakPolarHBondContact O-CG 3.49Å; K205-R209 PolarHBondContact O-N 3.31Å; Q206-R209 PolarHBondContact O-N 3.28Å; R209-R211 VanDerWaalsContact C-N 3.31Å; R209-R211 PolarHBondContact O-N 3.44Å; R209-V212 PolarHBondContact O-N 2.75Å; R209-M213 WeakPolarHBondContact O-CB 3.36Å; R209-M213 PolarHBondContact O-N 3.15Å
210T95.4Very high93.6Very high20 Ų2066 Ų6612%0.12332%0.324CS..Hα-helixtrans-60-41.5176.7-63.80000111.1Q206 R207 V208 M213 N214 S242 M245Q206-T210 WeakPolarHBondContact O-CB 3.19Å; Q206-T210 PolarHBondContact O-N 3.36Å; Q206-T210 PolarHBondContact O-OG1 2.96Å; Q206-T210 VanDerWaalsContact O-OG1 3.07Å; R207-T210 PolarHBondContact O-N 3.41Å; V208-T210 VanDerWaalsContact C-N 3.34Å; V208-T210 PolarHBondContact O-N 3.36Å; T210-M213 PolarHBondContact O-N 3.42Å; T210-N214 WeakPolarHBondContact CG2-ND2 3.32Å; T210-N214 PolarHBondContact O-N 3.19Å; T210-N214 PolarHBondContact O-ND2 3.05Å; T210-S242 WeakPolarHBondContact CG2-OG 3.33Å; T210-M245 HydrophobicContact CG2-CE 4.23Å
211R95.5Very high93.6Very high3 Ų367.6 Ų67.61%0.01134%0.335CS..Hα-helixtrans-65.4-45.8176-64.3-40.1-177.4-125.44.4112.7L166 I193 R207 V208 R209 M213 N214 L215 L237 A238 M240L166-R211 HydrophobicContact CD2-CB 3.92Å; I193-R211 HydrophobicContact CD1-CG 4.04Å; R207-R211 WeakPolarHBondContact O-CG 3.4Å; R207-R211 PolarHBondContact O-N 3.45Å; V208-R211 PolarHBondContact O-N 3.33Å; V208-R211 VanDerWaalsContact O-N 3.1Å; R209-R211 VanDerWaalsContact C-N 3.31Å; R209-R211 PolarHBondContact O-N 3.44Å; R211-M213 VanDerWaalsContact C-N 3.28Å; R211-M213 PolarHBondContact O-N 2.99Å; R211-N214 PolarHBondContact O-N 3.48Å; R211-L215 WeakPolarHBondContact O-CB 3.44Å; R211-L215 VanDerWaalsContact O-CG 3.29Å; R211-L215 WeakPolarHBondContact O-CG 3.34Å; R211-L215 PolarHBondContact O-N 3.3Å; R211-L237 PolarHBondContact NE-O 3.34Å; R211-L237 PolarHBondContact NH2-O 3.09Å; R211-A238 VanDerWaalsContact NH2-C 3.27Å; R211-A238 PolarHBondContact NH2-O 2.85Å; R211-M240 PolarHBondContact NH1-O 3.19Å; R211-M240 VanDerWaalsContact NH1-O 3.11Å; R211-M240 PolarHBondContact NH2-O 3.33Å
212V95.8Very high93.6Very high10 Ų1068.5 Ų68.56%0.06134%0.34CS..Hα-helixtrans-57.2-43.8176.2170.60000110.7M165 L166 A169 V208 R209 R216M165-V212 HydrophobicContact CB-CG2 3.9Å; M165-V212 HydrophobicContact CE-CG1 4.44Å; M165-V212 HydrophobicContact CE-CG2 4.5Å; L166-V212 HydrophobicContact CD2-CG2 3.87Å; L166-V212 HydrophobicContact CG-CG2 4.17Å; A169-V212 HydrophobicContact CB-CB 4.48Å; A169-V212 HydrophobicContact CB-CG1 4.18Å; V208-V212 HydrophobicContact CG1-CG2 4.31Å; V208-V212 WeakPolarHBondContact O-CG2 3.41Å; V208-V212 PolarHBondContact O-N 3.43Å; R209-V212 PolarHBondContact O-N 2.75Å; V212-R216 WeakPolarHBondContact O-CB 3.36Å; V212-R216 VanDerWaalsContact O-CG 3.23Å; V212-R216 WeakPolarHBondContact O-CG 3.08Å; V212-R216 PolarHBondContact O-N 3.08Å; V212-R216 VanDerWaalsContact O-N 3.07Å
213M94Very high93.5Very high123 Ų12364.4 Ų64.461%0.60631%0.313SS*.Hα-helixtrans-64.6-46.8178.4-173.3-17874.100112.3R209 T210 R211 R216 D217R209-M213 WeakPolarHBondContact O-CB 3.36Å; R209-M213 PolarHBondContact O-N 3.15Å; T210-M213 PolarHBondContact O-N 3.42Å; R211-M213 VanDerWaalsContact C-N 3.28Å; R211-M213 PolarHBondContact O-N 2.99Å; M213-R216 PolarHBondContact O-N 3.3Å; M213-D217 PolarHBondContact O-N 3.47Å
214N94.8Very high93.4Very high20 Ų2058.6 Ų58.611%0.10729%0.287CS..Hα-helixtrans-67.4-35.6179.3-74.9-72.8000112.5T210 R211 R216 D217 L223 M245T210-N214 WeakPolarHBondContact CG2-ND2 3.32Å; T210-N214 PolarHBondContact O-N 3.19Å; T210-N214 PolarHBondContact O-ND2 3.05Å; R211-N214 PolarHBondContact O-N 3.48Å; N214-R216 VanDerWaalsContact C-N 3.32Å; N214-D217 WeakPolarHBondContact O-CB 3.49Å; N214-D217 PolarHBondContact O-N 2.84Å; N214-L223 HydrophobicContact CB-CD2 3.98Å; N214-M245 HydrophobicContact CB-CB 4.45Å; N214-M245 HydrophobicContact CB-CE 4.04Å; N214-M245 HydrophobicContact CB-SD 4.01Å; N214-M245 WeakPolarHBondContact ND2-CE 3.29Å
215L93.8Very high93.2Very high3 Ų361.7 Ų61.72%0.01630%0.303CS..Hα-helixtrans-71.1-26.7176.1-72.2172.7000113L166 A169 L170 R211 V227L166-L215 HydrophobicContact CD2-CD1 4.28Å; A169-L215 HydrophobicContact CB-CB 3.81Å; A169-L215 HydrophobicContact CB-CD1 4.29Å; L170-L215 HydrophobicContact CD2-CD1 4.04Å; L170-L215 HydrophobicContact CD2-CD2 4.07Å; L170-L215 HydrophobicContact CG-CD1 4.35Å; R211-L215 WeakPolarHBondContact O-CB 3.44Å; R211-L215 VanDerWaalsContact O-CG 3.29Å; R211-L215 WeakPolarHBondContact O-CG 3.34Å; R211-L215 PolarHBondContact O-N 3.3Å; L215-V227 HydrophobicContact CD2-CG2 4.24Å
216R93.6Very high93.1Very high158 Ų15860.7 Ų60.760%0.59630%0.301SS*.THydrogen-bonded Turntrans-89-2.4176.1-70.7177.970-1762.5113.6A169 V212 M213 N214 S218A169-R216 HydrophobicContact CB-CG 3.78Å; V212-R216 WeakPolarHBondContact O-CB 3.36Å; V212-R216 VanDerWaalsContact O-CG 3.23Å; V212-R216 WeakPolarHBondContact O-CG 3.08Å; V212-R216 PolarHBondContact O-N 3.08Å; V212-R216 VanDerWaalsContact O-N 3.07Å; M213-R216 PolarHBondContact O-N 3.3Å; N214-R216 VanDerWaalsContact C-N 3.32Å; R216-S218 PolarHBondContact O-N 3.22Å; R216-S218 VanDerWaalsContact O-N 3.16Å
217D92Very high93Very high57 Ų5756 Ų5631%0.30528%0.28SS..  trans-63.6116.9-177.5-176.111000110.6M213 N214 N219 N220M213-D217 PolarHBondContact O-N 3.47Å; N214-D217 WeakPolarHBondContact O-CB 3.49Å; N214-D217 PolarHBondContact O-N 2.84Å; D217-N219 PolarHBondContact O-N 2.95Å; D217-N219 WeakPolarHBondContact OD1-CB 3.39Å; D217-N219 PolarHBondContact OD1-N 3.38Å; D217-N220 PolarHBondContact O-N 3.34Å
218S89.4Confident92.9Very high103 Ų10352.6 Ų52.672%0.7227%0.267SS*.THydrogen-bonded Turntrans-67.3-24.4177.854.40000112.6R216R216-S218 PolarHBondContact O-N 3.22Å; R216-S218 VanDerWaalsContact O-N 3.16Å
219N87.1Confident92.7Very high134 Ų13456 Ų5672%0.71728%0.284SS*.THydrogen-bonded Turntrans-81.8-19-177.1-59.9-23.2000112D217D217-N219 PolarHBondContact O-N 2.95Å; D217-N219 WeakPolarHBondContact OD1-CB 3.39Å; D217-N219 PolarHBondContact OD1-N 3.38Å
220N90Very high92.5Very high12 Ų1252 Ų526%0.06428%0.281CS..  trans-129.765.5179.5-170.615.1000112.6D217 N222 L223 M245 A246 S247D217-N220 PolarHBondContact O-N 3.34Å; N220-N222 PolarHBondContact O-N 3.29Å; N220-L223 PolarHBondContact O-N 3.47Å; N220-L223 PolarHBondContact OD1-N 3.38Å; N220-M245 PolarHBondContact ND2-O 3.12Å; N220-A246 VanDerWaalsContact ND2-C 3.35Å; N220-S247 PolarHBondContact ND2-N 2.89Å; N220-S247 VanDerWaalsContact ND2-N 3.19Å
221P90.6Very high92.3Very high59 Ų5958 Ų5838%0.38331%0.307SS..Hα-helixtrans-65-21.9177.529.1-35.8000112.6L223 R224 L225P221-L223 VanDerWaalsContact C-N 3.32Å; P221-L223 PolarHBondContact O-N 3.37Å; P221-R224 PolarHBondContact O-N 3.16Å; P221-L225 PolarHBondContact O-N 3.2Å; P221-L225 VanDerWaalsContact O-N 3.08Å
222N91.6Very high92.1Very high95 Ų9559.1 Ų59.151%0.50831%0.314SS..Hα-helixtrans-63.7-34.6179.8-70.8-58.8000112.4N220 R224 L225 N226N220-N222 PolarHBondContact O-N 3.29Å; N222-R224 PolarHBondContact O-N 3.24Å; N222-L225 PolarHBondContact O-N 3.34Å; N222-N226 VanDerWaalsContact O-CB 3.32Å; N222-N226 WeakPolarHBondContact O-CB 3.32Å; N222-N226 PolarHBondContact O-N 3.5Å; N222-N226 PolarHBondContact O-ND2 3.33Å; N222-N226 PolarHBondContact O-OD1 3.14Å
223L92.6Very high92Very high12 Ų1261.3 Ų61.36%0.06333%0.33CS..Hα-helixtrans-59.7-48.7176.4178.467.6000110.9N214 N220 P221 N226 V227 M245N214-L223 HydrophobicContact CB-CD2 3.98Å; N220-L223 PolarHBondContact O-N 3.47Å; N220-L223 PolarHBondContact OD1-N 3.38Å; P221-L223 VanDerWaalsContact C-N 3.32Å; P221-L223 PolarHBondContact O-N 3.37Å; L223-N226 PolarHBondContact O-N 3.24Å; L223-V227 WeakPolarHBondContact O-CG2 3.35Å; L223-V227 PolarHBondContact O-N 2.86Å; L223-M245 HydrophobicContact CD1-CB 4.48Å; L223-M245 HydrophobicContact CD1-CG 4.42Å; L223-M245 HydrophobicContact CD2-CB 3.89Å; L223-M245 HydrophobicContact CD2-CG 4.22Å; L223-M245 HydrophobicContact CD2-SD 4.4Å
224R92.4Very high92Very high35 Ų3556.7 Ų56.713%0.13231%0.309CS..Hα-helixtrans-62.4-43.7178-175178.865-153.4-9.1111.4L170 S172 P221 N222 N226 V227 L228L170-R224 HydrophobicContact CD2-CG 4.45Å; L170-R224 WeakPolarHBondContact O-CD 3.48Å; S172-R224 PolarHBondContact O-NH1 2.98Å; S172-R224 PolarHBondContact OG-NH1 2.89Å; P221-R224 PolarHBondContact O-N 3.16Å; N222-R224 PolarHBondContact O-N 3.24Å; R224-N226 PolarHBondContact O-N 3.11Å; R224-V227 PolarHBondContact O-N 3.25Å; R224-L228 HydrophobicContact CG-CD1 4.16Å; R224-L228 WeakPolarHBondContact O-CB 3.49Å; R224-L228 WeakPolarHBondContact O-CG 3.3Å; R224-L228 PolarHBondContact O-N 2.96Å
225L91.7Very high92Very high67 Ų6760 Ų6035%0.35133%0.327SS..Hα-helixtrans-58.8-45.8175.5179.260.3000111.8P176 P221 N222 V227 L228 M229P176-L225 HydrophobicContact CB-CD1 4.37Å; P176-L225 HydrophobicContact CG-CD1 3.61Å; P221-L225 PolarHBondContact O-N 3.2Å; P221-L225 VanDerWaalsContact O-N 3.08Å; N222-L225 PolarHBondContact O-N 3.34Å; L225-V227 VanDerWaalsContact C-N 3.3Å; L225-V227 PolarHBondContact O-N 3.22Å; L225-L228 PolarHBondContact O-N 2.92Å; L225-M229 HydrophobicContact CD1-CG 3.84Å; L225-M229 HydrophobicContact CG-CG 4.34Å; L225-M229 WeakPolarHBondContact O-CB 3.45Å; L225-M229 VanDerWaalsContact O-CG 3.29Å; L225-M229 WeakPolarHBondContact O-CG 3.32Å; L225-M229 PolarHBondContact O-N 2.99Å
226N92.7Very high92Very high61 Ų6164.6 Ų64.633%0.32635%0.346SS..Hα-helixtrans-64.2-34.3179.9-70.6-15.6000112.6N222 L223 R224 G230 H231 V232N222-N226 VanDerWaalsContact O-CB 3.32Å; N222-N226 WeakPolarHBondContact O-CB 3.32Å; N222-N226 PolarHBondContact O-N 3.5Å; N222-N226 PolarHBondContact O-ND2 3.33Å; N222-N226 PolarHBondContact O-OD1 3.14Å; L223-N226 PolarHBondContact O-N 3.24Å; R224-N226 PolarHBondContact O-N 3.11Å; N226-G230 PolarHBondContact O-N 3.33Å; N226-H231 HydrophobicContact CB-CB 4.09Å; N226-H231 WeakPolarHBondContact O-CB 3.3Å; N226-H231 PolarHBondContact O-N 2.89Å; N226-V232 HydrophobicContact CB-CG2 4.12Å; N226-V232 PolarHBondContact O-N 3.13Å
227V93.7Very high92Very high2 Ų257 Ų571%0.01232%0.318CS..Hα-helixtrans-69.6-46.2173.4173.80000110.6L170 L185 I189 L215 L223 R224 L225 M229 G230 V232 L237L170-V227 HydrophobicContact CD2-CG1 4Å; L185-V227 HydrophobicContact CD1-CG1 4.46Å; I189-V227 HydrophobicContact CD1-CG1 4.23Å; L215-V227 HydrophobicContact CD2-CG2 4.24Å; L223-V227 WeakPolarHBondContact O-CG2 3.35Å; L223-V227 PolarHBondContact O-N 2.86Å; R224-V227 PolarHBondContact O-N 3.25Å; L225-V227 VanDerWaalsContact C-N 3.3Å; L225-V227 PolarHBondContact O-N 3.22Å; V227-M229 VanDerWaalsContact C-N 3.3Å; V227-M229 PolarHBondContact O-N 3.47Å; V227-G230 PolarHBondContact O-N 3.43Å; V227-G230 VanDerWaalsContact O-N 3.14Å; V227-V232 HydrophobicContact CG2-CB 4.03Å; V227-V232 HydrophobicContact CG2-CG1 4.32Å; V227-L237 HydrophobicContact CG1-CD2 4.2Å; V227-L237 HydrophobicContact CG2-CD1 4.11Å; V227-L237 HydrophobicContact CG2-CD2 3.97Å
228L93Very high92.1Very high2 Ų254.4 Ų54.41%0.0130%0.304CS..Hα-helixtrans-63.2-33.4179-75.3174.3000113.3L170 A179 Y180 L185 R224 L225L170-L228 HydrophobicContact CB-CD2 4.48Å; L170-L228 HydrophobicContact CD2-CD2 4.4Å; A179-L228 WeakPolarHBondContact CA-O 3.37Å; A179-L228 HydrophobicContact CB-CB 3.87Å; A179-L228 HydrophobicContact CB-CD2 4.37Å; Y180-L228 WeakPolarHBondContact CD2-O 3.33Å; Y180-L228 PolarHBondContact N-O 3.24Å; L185-L228 HydrophobicContact CD1-CD2 4Å; R224-L228 HydrophobicContact CG-CD1 4.16Å; R224-L228 WeakPolarHBondContact O-CB 3.49Å; R224-L228 WeakPolarHBondContact O-CG 3.3Å; R224-L228 PolarHBondContact O-N 2.96Å; L225-L228 PolarHBondContact O-N 2.92Å
229M91.9Very high92.3Very high77 Ų7752.4 Ų52.438%0.37929%0.29SS..THydrogen-bonded Turntrans-87.3-4177.4-62.9-57.9-62.400113.5P176 L225 V227P176-M229 HydrophobicContact CG-SD 3.87Å; L225-M229 HydrophobicContact CD1-CG 3.84Å; L225-M229 HydrophobicContact CG-CG 4.34Å; L225-M229 WeakPolarHBondContact O-CB 3.45Å; L225-M229 VanDerWaalsContact O-CG 3.29Å; L225-M229 WeakPolarHBondContact O-CG 3.32Å; L225-M229 PolarHBondContact O-N 2.99Å; V227-M229 VanDerWaalsContact C-N 3.3Å; V227-M229 PolarHBondContact O-N 3.47Å
230G90.2Very high92.5Very high39 Ų3946.8 Ų46.840%0.40226%0.26SS..THydrogen-bonded Turntrans79.210.9179.300000115.8N226 V227 V232N226-G230 PolarHBondContact O-N 3.33Å; V227-G230 PolarHBondContact O-N 3.43Å; V227-G230 VanDerWaalsContact O-N 3.14Å; G230-V232 PolarHBondContact O-N 2.95Å
231H91.2Very high92.6Very high146 Ų14649.3 Ų49.368%0.67628%0.275SS*.SBendtrans-66.2-27.3171.4-68.6-56.9000112.5N226N226-H231 HydrophobicContact CB-CB 4.09Å; N226-H231 WeakPolarHBondContact O-CB 3.3Å; N226-H231 PolarHBondContact O-N 2.89Å
232V92.6Very high92.5Very high26 Ų2649 Ų4916%0.15828%0.275CS..SBendtrans-114.4117.3172.51800000108.3N226 V227 G230 L237 M240N226-V232 HydrophobicContact CB-CG2 4.12Å; N226-V232 PolarHBondContact O-N 3.13Å; V227-V232 HydrophobicContact CG2-CB 4.03Å; V227-V232 HydrophobicContact CG2-CG1 4.32Å; G230-V232 PolarHBondContact O-N 2.95Å; V232-L237 HydrophobicContact CG1-CB 4.04Å; V232-L237 HydrophobicContact CG1-CD1 4.32Å; V232-M240 HydrophobicContact CG1-SD 4.46Å
233S93.8Very high92.4Very high56 Ų5650.5 Ų50.539%0.39228%0.279SS..  trans-69.1149.1176.666.30000111.3D235 K236 L237S233-D235 PolarHBondContact O-N 3.36Å; S233-K236 PolarHBondContact O-N 3.48Å; S233-K236 VanDerWaalsContact O-N 3.13Å; S233-K236 VanDerWaalsContact OG-CB 3.32Å; S233-K236 WeakPolarHBondContact OG-CB 3.38Å; S233-K236 PolarHBondContact OG-N 2.93Å; S233-L237 PolarHBondContact O-N 2.64Å
234P93.7Very high92.3Very high26 Ų2653.9 Ų53.917%0.16929%0.294CS..Hα-helixtrans-53.4-37.2174.9-29.536.9000113.7L185 R188 I189 L237 A238L185-P234 HydrophobicContact CD2-CG 4.27Å; R188-P234 HydrophobicContact CB-CB 4.03Å; R188-P234 HydrophobicContact CB-CG 3.95Å; I189-P234 HydrophobicContact CG1-CB 3.88Å; I189-P234 HydrophobicContact CG1-CG 4.44Å; P234-L237 PolarHBondContact O-N 3.3Å; P234-A238 WeakPolarHBondContact O-CB 3.32Å; P234-A238 PolarHBondContact O-N 3.42Å
235D94.2Very high92.3Very high90 Ų9052.3 Ų52.348%0.48129%0.288SS..Hα-helixtrans-68.9-40.9178.8-54.9-39.1000112.2R188 S192 S233 L237 A238 S239R188-D235 IonicContact NH2-OD1 3.47Å; S192-D235 VanDerWaalsContact CB-OD1 3.27Å; S192-D235 WeakPolarHBondContact CB-OD1 3.42Å; S192-D235 PolarHBondContact OG-OD1 2.62Å; S233-D235 PolarHBondContact O-N 3.36Å; D235-L237 VanDerWaalsContact C-N 3.35Å; D235-A238 PolarHBondContact O-N 3.22Å; D235-S239 PolarHBondContact O-N 3.03Å; D235-S239 VanDerWaalsContact O-N 3.16Å; D235-S239 PolarHBondContact O-OG 3.45Å
236K94.3Very high92.2Very high99 Ų9949.7 Ų49.743%0.4328%0.276SS..Hα-helixtrans-67.2-40.2174.5-17758-178.3166.60110.6S233 A238 S239 M240 E244S233-K236 PolarHBondContact O-N 3.48Å; S233-K236 VanDerWaalsContact O-N 3.13Å; S233-K236 VanDerWaalsContact OG-CB 3.32Å; S233-K236 WeakPolarHBondContact OG-CB 3.38Å; S233-K236 PolarHBondContact OG-N 2.93Å; K236-A238 VanDerWaalsContact C-N 3.32Å; K236-A238 PolarHBondContact O-N 3.07Å; K236-S239 PolarHBondContact O-N 3.03Å; K236-S239 PolarHBondContact O-OG 3.49Å; K236-S239 VanDerWaalsContact O-OG 3.11Å; K236-M240 WeakPolarHBondContact O-CB 3.43Å; K236-M240 WeakPolarHBondContact O-CG 3.37Å; K236-M240 PolarHBondContact O-N 3.09Å; K236-E244 IonicContact NZ-OE2 3.2Å; K236-E244 PolarHBondContact NZ-OE2 3.26Å
237L94.4Very high92.1Very high0 Ų048.1 Ų48.10%027%0.27CS..Hα-helixtrans-61.9-39.6174.2-168.369.4000111.1I189 R211 V227 V232 S233 P234 D235 S239 M240 M245I189-L237 HydrophobicContact CD1-CD2 3.62Å; I189-L237 HydrophobicContact CG1-CD2 3.95Å; I189-L237 HydrophobicContact CG2-CD2 4.22Å; R211-L237 PolarHBondContact NE-O 3.34Å; R211-L237 PolarHBondContact NH2-O 3.09Å; V227-L237 HydrophobicContact CG1-CD2 4.2Å; V227-L237 HydrophobicContact CG2-CD1 4.11Å; V227-L237 HydrophobicContact CG2-CD2 3.97Å; V232-L237 HydrophobicContact CG1-CB 4.04Å; V232-L237 HydrophobicContact CG1-CD1 4.32Å; S233-L237 PolarHBondContact O-N 2.64Å; P234-L237 PolarHBondContact O-N 3.3Å; D235-L237 VanDerWaalsContact C-N 3.35Å; L237-S239 PolarHBondContact O-N 3.5Å; L237-M240 HydrophobicContact CD1-SD 3.73Å; L237-M240 WeakPolarHBondContact O-CG 3.33Å; L237-M245 HydrophobicContact CD1-SD 3.89Å
238A93.7Very high91.9Very high1 Ų155.7 Ų55.71%0.00830%0.303CS..Hα-helixtrans-65.7-35.5178.500000113.3I193 L196 R207 R211 P234 D235 K236I193-A238 HydrophobicContact CG1-CB 3.69Å; L196-A238 HydrophobicContact CD1-CB 3.98Å; R207-A238 PolarHBondContact NH1-O 3.01Å; R211-A238 VanDerWaalsContact NH2-C 3.27Å; R211-A238 PolarHBondContact NH2-O 2.85Å; P234-A238 WeakPolarHBondContact O-CB 3.32Å; P234-A238 PolarHBondContact O-N 3.42Å; D235-A238 PolarHBondContact O-N 3.22Å; K236-A238 VanDerWaalsContact C-N 3.32Å; K236-A238 PolarHBondContact O-N 3.07Å
239S92.7Very high91.8Very high61 Ų6163 Ų6343%0.42734%0.337SS..Hα-helixtrans-86.3-37.9-176.450.90000114.6R207 D235 K236 L237R207-S239 PolarHBondContact NH1-O 3.49Å; D235-S239 PolarHBondContact O-N 3.03Å; D235-S239 VanDerWaalsContact O-N 3.16Å; D235-S239 PolarHBondContact O-OG 3.45Å; K236-S239 PolarHBondContact O-N 3.03Å; K236-S239 PolarHBondContact O-OG 3.49Å; K236-S239 VanDerWaalsContact O-OG 3.11Å; L237-S239 PolarHBondContact O-N 3.5Å
240M91.3Very high91.8Very high16 Ų1663.2 Ų63.28%0.07934%0.338CS..SBendtrans-59153.2-170.465.7-172.5-54.500115.9R211 V232 K236 L237 E244 M245R211-M240 PolarHBondContact NH1-O 3.19Å; R211-M240 VanDerWaalsContact NH1-O 3.11Å; R211-M240 PolarHBondContact NH2-O 3.33Å; V232-M240 HydrophobicContact CG1-SD 4.46Å; K236-M240 WeakPolarHBondContact O-CB 3.43Å; K236-M240 WeakPolarHBondContact O-CG 3.37Å; K236-M240 PolarHBondContact O-N 3.09Å; L237-M240 HydrophobicContact CD1-SD 3.73Å; L237-M240 WeakPolarHBondContact O-CG 3.33Å; M240-E244 HydrophobicContact CB-CB 4.15Å; M240-E244 WeakPolarHBondContact CB-OE2 3.49Å; M240-E244 HydrophobicContact CE-CB 3.87Å; M240-E244 WeakPolarHBondContact CE-O 3.4Å; M240-M245 HydrophobicContact CE-CB 4.03Å; M240-M245 HydrophobicContact CE-CG 3.21Å; M240-M245 HydrophobicContact CG-CG 3.65Å; M240-M245 HydrophobicContact CG-SD 4.04Å; M240-M245 HydrophobicContact SD-CG 3.36Å; M240-M245 WeakPolarHBondContact SD-CG 3.35Å; M240-M245 HydrophobicContact SD-SD 4.07Å
241T92.1Very high91.8Very high65 Ų6564.7 Ų64.740%0.39933%0.334SS..  trans-77.9164.8177.367.70000111.9E243 E244 M245T241-E243 PolarHBondContact O-N 3.05Å; T241-E243 PolarHBondContact OG1-N 2.82Å; T241-E244 PolarHBondContact O-N 3.44Å; T241-E244 WeakPolarHBondContact OG1-CB 3.19Å; T241-E244 WeakPolarHBondContact OG1-CG 3.31Å; T241-E244 PolarHBondContact OG1-N 3.47Å; T241-M245 PolarHBondContact O-N 3.2Å; T241-M245 VanDerWaalsContact O-N 3.16Å
242S89.6Confident91.9Very high52 Ų5262.5 Ų62.536%0.36432%0.323SS..Hα-helixtrans-61.7-29.7172.2-56.40000112.2T210 M245 A246T210-S242 WeakPolarHBondContact CG2-OG 3.33Å; S242-M245 PolarHBondContact O-N 3.2Å; S242-A246 PolarHBondContact O-N 3.07Å
243E89Confident92Very high127 Ų12764.4 Ų64.459%0.59333%0.333SS*.Hα-helixtrans-72.2-44178-44.3-170.4156.400110.6T241 M245 A246 K251T241-E243 PolarHBondContact O-N 3.05Å; T241-E243 PolarHBondContact OG1-N 2.82Å; E243-M245 PolarHBondContact O-N 3.48Å; E243-A246 WeakPolarHBondContact O-CB 3.43Å; E243-A246 PolarHBondContact O-N 2.96Å; E243-A246 VanDerWaalsContact O-N 3.15Å; E243-K251 VanDerWaalsContact O-CE 3.28Å; E243-K251 WeakPolarHBondContact O-CE 3.29Å
244E90.8Very high92Very high83 Ų8366.5 Ų66.539%0.38833%0.332SS..Hα-helixtrans-63.5-19.2172.3-77179.3-143.400113.4K236 M240 T241 K251K236-E244 IonicContact NZ-OE2 3.2Å; K236-E244 PolarHBondContact NZ-OE2 3.26Å; M240-E244 HydrophobicContact CB-CB 4.15Å; M240-E244 WeakPolarHBondContact CB-OE2 3.49Å; M240-E244 HydrophobicContact CE-CB 3.87Å; M240-E244 WeakPolarHBondContact CE-O 3.4Å; T241-E244 PolarHBondContact O-N 3.44Å; T241-E244 WeakPolarHBondContact OG1-CB 3.19Å; T241-E244 WeakPolarHBondContact OG1-CG 3.31Å; T241-E244 PolarHBondContact OG1-N 3.47Å; E244-K251 WeakPolarHBondContact O-CE 3.24Å; E244-K251 PolarHBondContact O-NZ 3.32Å
245M91Very high92Very high2 Ų271.6 Ų71.61%0.0135%0.354CS..Hα-helixtrans-88.6-14.5176.4-77.3-174.4-64.400113.8T210 N214 N220 L223 L237 M240 T241 S242 E243T210-M245 HydrophobicContact CG2-CE 4.23Å; N214-M245 HydrophobicContact CB-CB 4.45Å; N214-M245 HydrophobicContact CB-CE 4.04Å; N214-M245 HydrophobicContact CB-SD 4.01Å; N214-M245 WeakPolarHBondContact ND2-CE 3.29Å; N220-M245 PolarHBondContact ND2-O 3.12Å; L223-M245 HydrophobicContact CD1-CB 4.48Å; L223-M245 HydrophobicContact CD1-CG 4.42Å; L223-M245 HydrophobicContact CD2-CB 3.89Å; L223-M245 HydrophobicContact CD2-CG 4.22Å; L223-M245 HydrophobicContact CD2-SD 4.4Å; L237-M245 HydrophobicContact CD1-SD 3.89Å; M240-M245 HydrophobicContact CE-CB 4.03Å; M240-M245 HydrophobicContact CE-CG 3.21Å; M240-M245 HydrophobicContact CG-CG 3.65Å; M240-M245 HydrophobicContact CG-SD 4.04Å; M240-M245 HydrophobicContact SD-CG 3.36Å; M240-M245 WeakPolarHBondContact SD-CG 3.35Å; M240-M245 HydrophobicContact SD-SD 4.07Å; T241-M245 PolarHBondContact O-N 3.2Å; T241-M245 VanDerWaalsContact O-N 3.16Å; S242-M245 PolarHBondContact O-N 3.2Å; E243-M245 PolarHBondContact O-N 3.48Å
246A90.3Very high92.1Very high12 Ų1272.8 Ų72.810%0.09935%0.354CS..SBendtrans-62.1165.1-175.100000112.6N220 S242 E243 M250 K251N220-A246 VanDerWaalsContact ND2-C 3.35Å; S242-A246 PolarHBondContact O-N 3.07Å; E243-A246 WeakPolarHBondContact O-CB 3.43Å; E243-A246 PolarHBondContact O-N 2.96Å; E243-A246 VanDerWaalsContact O-N 3.15Å; A246-M250 HydrophobicContact CB-CB 4.14Å; A246-M250 HydrophobicContact CB-CG 4.05Å; A246-K251 HydrophobicContact CB-CG 4.09Å; A246-K251 WeakPolarHBondContact O-CE 3.37Å; A246-K251 PolarHBondContact O-NZ 3.3Å
247S91.5Very high92.1Very high29 Ų2974.2 Ų74.220%0.20336%0.358CS..  trans-58.8153.4174.966.30000110.1N220 E249 M250 K251N220-S247 PolarHBondContact ND2-N 2.89Å; N220-S247 VanDerWaalsContact ND2-N 3.19Å; S247-E249 VanDerWaalsContact C-N 3.25Å; S247-E249 PolarHBondContact O-N 3.21Å; S247-M250 PolarHBondContact O-N 3.2Å; S247-M250 VanDerWaalsContact O-N 3.12Å; S247-M250 WeakPolarHBondContact OG-CB 3.28Å; S247-M250 PolarHBondContact OG-N 3.37Å; S247-K251 WeakPolarHBondContact O-CG 3.47Å; S247-K251 PolarHBondContact O-N 3.45Å
248K88.9Confident92.1Very high161 Ų16178 Ų7870%0.738%0.382SS*.Hα-helixtrans-54.9-45.4179.4-175.3178.5173.1-175.80111.3M250 K251 E252K248-M250 PolarHBondContact O-N 2.72Å; K248-K251 PolarHBondContact O-N 2.92Å; K248-E252 WeakPolarHBondContact CE-OE1 3.37Å; K248-E252 WeakPolarHBondContact CG-OE1 3.05Å; K248-E252 WeakPolarHBondContact O-CG 3.32Å; K248-E252 PolarHBondContact O-N 2.72Å
249E91.4Very high92.2Very high156 Ų15684 Ų8473%0.72941%0.407SS*.Hα-helixtrans-59.7-44.8175.8-175.2-178.4-17500112.7S247 K251 E252 L253S247-E249 VanDerWaalsContact C-N 3.25Å; S247-E249 PolarHBondContact O-N 3.21Å; E249-K251 VanDerWaalsContact C-N 3.34Å; E249-K251 PolarHBondContact O-N 3.06Å; E249-E252 PolarHBondContact O-N 2.64Å; E249-L253 VanDerWaalsContact O-CB 3.31Å; E249-L253 WeakPolarHBondContact O-CB 3.38Å; E249-L253 PolarHBondContact O-N 3.42Å
250M90.3Very high92.2Very high80 Ų8085.2 Ų85.239%0.39441%0.406SS..Hα-helixtrans-67.4-35179.6-176.260.761.900112.2A246 S247 K248 R254A246-M250 HydrophobicContact CB-CB 4.14Å; A246-M250 HydrophobicContact CB-CG 4.05Å; S247-M250 PolarHBondContact O-N 3.2Å; S247-M250 VanDerWaalsContact O-N 3.12Å; S247-M250 WeakPolarHBondContact OG-CB 3.28Å; S247-M250 PolarHBondContact OG-N 3.37Å; K248-M250 PolarHBondContact O-N 2.72Å; M250-R254 WeakPolarHBondContact O-CG 3.35Å; M250-R254 PolarHBondContact O-N 3.43Å; M250-R254 VanDerWaalsContact O-N 3.07Å
251K91.6Very high92.3Very high71 Ų7187.8 Ų87.831%0.30942%0.423SS..Hα-helixtrans-65-51.1174.5-71.3169.7175.5164.90111.2E243 E244 A246 S247 K248 E249 L253 R254 E255E243-K251 VanDerWaalsContact O-CE 3.28Å; E243-K251 WeakPolarHBondContact O-CE 3.29Å; E244-K251 WeakPolarHBondContact O-CE 3.24Å; E244-K251 PolarHBondContact O-NZ 3.32Å; A246-K251 HydrophobicContact CB-CG 4.09Å; A246-K251 WeakPolarHBondContact O-CE 3.37Å; A246-K251 PolarHBondContact O-NZ 3.3Å; S247-K251 WeakPolarHBondContact O-CG 3.47Å; S247-K251 PolarHBondContact O-N 3.45Å; K248-K251 PolarHBondContact O-N 2.92Å; E249-K251 VanDerWaalsContact C-N 3.34Å; E249-K251 PolarHBondContact O-N 3.06Å; K251-L253 PolarHBondContact O-N 3.49Å; K251-R254 PolarHBondContact O-N 3.48Å; K251-R254 VanDerWaalsContact O-N 3.14Å; K251-E255 WeakPolarHBondContact O-CG 2.93Å; K251-E255 PolarHBondContact O-N 3.05Å
252E93.6Very high92.3Very high99 Ų9988.8 Ų88.846%0.46343%0.425SS..Hα-helixtrans-58.5-39.6178.2-71.9171.1-176.600111.3K248 E249 E255 K256K248-E252 WeakPolarHBondContact CE-OE1 3.37Å; K248-E252 WeakPolarHBondContact CG-OE1 3.05Å; K248-E252 WeakPolarHBondContact O-CG 3.32Å; K248-E252 PolarHBondContact O-N 2.72Å; E249-E252 PolarHBondContact O-N 2.64Å; E252-E255 PolarHBondContact O-N 2.97Å; E252-K256 WeakPolarHBondContact O-CB 3.31Å; E252-K256 PolarHBondContact O-N 2.83Å
253L93.8Very high92.3Very high67 Ų6790.5 Ų90.535%0.35143%0.427SS..Hα-helixtrans-64.4-43.7176.7-173.463.9000112.3E249 K251 K256 Y257E249-L253 VanDerWaalsContact O-CB 3.31Å; E249-L253 WeakPolarHBondContact O-CB 3.38Å; E249-L253 PolarHBondContact O-N 3.42Å; K251-L253 PolarHBondContact O-N 3.49Å; L253-K256 PolarHBondContact O-N 3.41Å; L253-Y257 HydrophobicContact CD1-CD2 4.18Å; L253-Y257 HydrophobicContact CD1-CE2 3.49Å; L253-Y257 VanDerWaalsContact CD1-CE2 3.49Å; L253-Y257 HydrophobicContact CD2-CE2 3.99Å; L253-Y257 HydrophobicContact CG-CD2 3.96Å; L253-Y257 HydrophobicContact CG-CE2 3.48Å; L253-Y257 VanDerWaalsContact CG-CE2 3.48Å; L253-Y257 VanDerWaalsContact O-CD2 3.24Å; L253-Y257 WeakPolarHBondContact O-CD2 3.5Å; L253-Y257 PolarHBondContact O-N 3.43Å
254R93.4Very high92.2Very high100 Ų10089.9 Ų89.938%0.37743%0.428SS..Hα-helixtrans-65.3-44.5175.4-71.8179.1-159.5-177.25.4111.6M250 K251 K256 Y257 T258M250-R254 WeakPolarHBondContact O-CG 3.35Å; M250-R254 PolarHBondContact O-N 3.43Å; M250-R254 VanDerWaalsContact O-N 3.07Å; K251-R254 PolarHBondContact O-N 3.48Å; K251-R254 VanDerWaalsContact O-N 3.14Å; R254-K256 VanDerWaalsContact C-N 3.25Å; R254-K256 PolarHBondContact O-N 2.85Å; R254-Y257 PolarHBondContact O-N 2.87Å; R254-T258 WeakPolarHBondContact O-CB 3.38Å; R254-T258 PolarHBondContact O-N 2.93Å; R254-T258 PolarHBondContact O-OG1 3.23Å
255E94.4Very high92Very high133 Ų13392.7 Ų92.762%0.62144%0.441SS*.Hα-helixtrans-57.3-42.4176.6-74.2172.4-166.300111.1K251 E252 K259K251-E255 WeakPolarHBondContact O-CG 2.93Å; K251-E255 PolarHBondContact O-N 3.05Å; E252-E255 PolarHBondContact O-N 2.97Å; E255-K259 VanDerWaalsContact O-CB 3.28Å; E255-K259 WeakPolarHBondContact O-CB 2.97Å; E255-K259 PolarHBondContact O-N 2.97Å
256K95.8Very high91.6Very high114 Ų11499.9 Ų99.950%0.49647%0.474SS..Hα-helixtrans-60.4-52174.7-175.4-175.7171.6-169.20112E252 L253 R254 T258 K259 E260E252-K256 WeakPolarHBondContact O-CB 3.31Å; E252-K256 PolarHBondContact O-N 2.83Å; L253-K256 PolarHBondContact O-N 3.41Å; R254-K256 VanDerWaalsContact C-N 3.25Å; R254-K256 PolarHBondContact O-N 2.85Å; K256-T258 PolarHBondContact O-N 3.02Å; K256-K259 WeakPolarHBondContact O-CB 3.44Å; K256-K259 PolarHBondContact O-N 3.36Å; K256-E260 WeakPolarHBondContact CE-OE1 3.48Å; K256-E260 IonicContact NZ-OE1 3.82Å; K256-E260 WeakPolarHBondContact O-CG 3.43Å; K256-E260 PolarHBondContact O-N 3.39Å
257Y95.2Very high90.6Very high129 Ų129105.6 Ų105.651%0.50650%0.501SS..Hα-helixtrans-66.6-38-179.3-69.6-45.4000113.1L253 R254 K259 E260 T261L253-Y257 HydrophobicContact CD1-CD2 4.18Å; L253-Y257 HydrophobicContact CD1-CE2 3.49Å; L253-Y257 VanDerWaalsContact CD1-CE2 3.49Å; L253-Y257 HydrophobicContact CD2-CE2 3.99Å; L253-Y257 HydrophobicContact CG-CD2 3.96Å; L253-Y257 HydrophobicContact CG-CE2 3.48Å; L253-Y257 VanDerWaalsContact CG-CE2 3.48Å; L253-Y257 VanDerWaalsContact O-CD2 3.24Å; L253-Y257 WeakPolarHBondContact O-CD2 3.5Å; L253-Y257 PolarHBondContact O-N 3.43Å; R254-Y257 PolarHBondContact O-N 2.87Å; Y257-K259 VanDerWaalsContact C-N 3.3Å; Y257-K259 PolarHBondContact O-N 3.14Å; Y257-E260 PolarHBondContact O-N 3.42Å; Y257-T261 VanDerWaalsContact O-CB 3.32Å; Y257-T261 WeakPolarHBondContact O-CB 3.48Å; Y257-T261 PolarHBondContact O-N 3.32Å; Y257-T261 PolarHBondContact O-OG1 3.25Å
258T94.6Very high89.4Confident81 Ų81108.5 Ų108.550%0.49753%0.526SS..Hα-helixtrans-61-43.8174-620000110.3R254 K256 T261 I262R254-T258 WeakPolarHBondContact O-CB 3.38Å; R254-T258 PolarHBondContact O-N 2.93Å; R254-T258 PolarHBondContact O-OG1 3.23Å; K256-T258 PolarHBondContact O-N 3.02Å; T258-T261 PolarHBondContact O-N 2.89Å; T258-I262 HydrophobicContact CG2-CD1 3.95Å; T258-I262 WeakPolarHBondContact O-CD1 3.24Å; T258-I262 VanDerWaalsContact O-CG1 3.24Å; T258-I262 WeakPolarHBondContact O-CG1 3.5Å; T258-I262 PolarHBondContact O-N 2.72Å
259K94.8Very high88.4Confident126 Ų126106.3 Ų106.355%0.54853%0.526SS..Hα-helixtrans-62.3-49.3176.1-179.5178.6171.4-178.50112E255 K256 Y257 T261 I262 E263E255-K259 VanDerWaalsContact O-CB 3.28Å; E255-K259 WeakPolarHBondContact O-CB 2.97Å; E255-K259 PolarHBondContact O-N 2.97Å; K256-K259 WeakPolarHBondContact O-CB 3.44Å; K256-K259 PolarHBondContact O-N 3.36Å; Y257-K259 VanDerWaalsContact C-N 3.3Å; Y257-K259 PolarHBondContact O-N 3.14Å; K259-T261 VanDerWaalsContact C-N 3.29Å; K259-T261 PolarHBondContact O-N 2.91Å; K259-I262 PolarHBondContact O-N 3.39Å; K259-E263 WeakPolarHBondContact CE-OE1 3.27Å; K259-E263 IonicContact NZ-OE1 3.89Å; K259-E263 WeakPolarHBondContact O-CG 3.35Å; K259-E263 PolarHBondContact O-N 3.22Å
260E93.3Very high87.2Confident86 Ų86102.4 Ų102.440%0.40251%0.513SS..Hα-helixtrans-59.9-40.7177.4-73.3174.9173.900111.5K256 Y257 E263 D264K256-E260 WeakPolarHBondContact CE-OE1 3.48Å; K256-E260 IonicContact NZ-OE1 3.82Å; K256-E260 WeakPolarHBondContact O-CG 3.43Å; K256-E260 PolarHBondContact O-N 3.39Å; Y257-E260 PolarHBondContact O-N 3.42Å; E260-E263 PolarHBondContact O-N 3.4Å; E260-D264 WeakPolarHBondContact O-CB 3.47Å; E260-D264 PolarHBondContact O-N 3.33Å
261T93.4Very high86.5Confident71 Ų71102.3 Ų102.344%0.43653%0.533SS..Hα-helixtrans-62.3-45.5176.3-57.10000110.8Y257 T258 K259 D264 H265Y257-T261 VanDerWaalsContact O-CB 3.32Å; Y257-T261 WeakPolarHBondContact O-CB 3.48Å; Y257-T261 PolarHBondContact O-N 3.32Å; Y257-T261 PolarHBondContact O-OG1 3.25Å; T258-T261 PolarHBondContact O-N 2.89Å; K259-T261 VanDerWaalsContact C-N 3.29Å; K259-T261 PolarHBondContact O-N 2.91Å; T261-D264 PolarHBondContact O-N 3.03Å; T261-H265 VanDerWaalsContact CG2-CE1 3.48Å; T261-H265 WeakPolarHBondContact CG2-CE1 3.46Å; T261-H265 WeakPolarHBondContact CG2-ND1 3.28Å; T261-H265 WeakPolarHBondContact O-CB 3.39Å; T261-H265 PolarHBondContact O-N 3.46Å; T261-H265 PolarHBondContact O-ND1 3.45Å
262I91.3Very high86.1Confident86 Ų86101 Ų10144%0.44154%0.539SS..Hα-helixtrans-62.6-44.2177.7-68.9164.6000110.7T258 K259 H265 Q266T258-I262 HydrophobicContact CG2-CD1 3.95Å; T258-I262 WeakPolarHBondContact O-CD1 3.24Å; T258-I262 VanDerWaalsContact O-CG1 3.24Å; T258-I262 WeakPolarHBondContact O-CG1 3.5Å; T258-I262 PolarHBondContact O-N 2.72Å; K259-I262 PolarHBondContact O-N 3.39Å; I262-H265 PolarHBondContact O-N 3.01Å; I262-Q266 HydrophobicContact CG2-CG 4.47Å; I262-Q266 VanDerWaalsContact CG2-NE2 3.31Å; I262-Q266 WeakPolarHBondContact O-CB 2.97Å; I262-Q266 VanDerWaalsContact O-CG 3.27Å; I262-Q266 WeakPolarHBondContact O-CG 3.49Å; I262-Q266 PolarHBondContact O-N 2.92Å
263E89.8Confident85.9Confident87 Ų8799.7 Ų99.741%0.40754%0.538SS..Hα-helixtrans-61.9-46.6178.5-72.9174.9179.800111.4K259 E260 H265 Q266 M267K259-E263 WeakPolarHBondContact CE-OE1 3.27Å; K259-E263 IonicContact NZ-OE1 3.89Å; K259-E263 WeakPolarHBondContact O-CG 3.35Å; K259-E263 PolarHBondContact O-N 3.22Å; E260-E263 PolarHBondContact O-N 3.4Å; E263-H265 PolarHBondContact O-N 3.21Å; E263-Q266 PolarHBondContact O-N 3.19Å; E263-M267 WeakPolarHBondContact O-CG 3.4Å; E263-M267 PolarHBondContact O-N 2.81Å
264D88.2Confident85.7Confident115 Ų115102.1 Ų102.162%0.61555%0.548SS*.Hα-helixtrans-62-43.3178.8-169.953.9000112E260 T261 Q266 M267E260-D264 WeakPolarHBondContact O-CB 3.47Å; E260-D264 PolarHBondContact O-N 3.33Å; T261-D264 PolarHBondContact O-N 3.03Å; D264-Q266 VanDerWaalsContact C-N 3.31Å; D264-Q266 PolarHBondContact O-N 2.95Å; D264-M267 PolarHBondContact O-N 3.47Å
265H85.6Confident85.6Confident142 Ų14298.3 Ų98.366%0.65754%0.535SS*.Hα-helixtrans-69.9-26.1177.8-73.274.9000113.2T261 I262 E263 M267T261-H265 VanDerWaalsContact CG2-CE1 3.48Å; T261-H265 WeakPolarHBondContact CG2-CE1 3.46Å; T261-H265 WeakPolarHBondContact CG2-ND1 3.28Å; T261-H265 WeakPolarHBondContact O-CB 3.39Å; T261-H265 PolarHBondContact O-N 3.46Å; T261-H265 PolarHBondContact O-ND1 3.45Å; I262-H265 PolarHBondContact O-N 3.01Å; E263-H265 PolarHBondContact O-N 3.21Å; H265-M267 VanDerWaalsContact C-N 3.33Å
266Q82.1Confident85.5Confident152 Ų15297.5 Ų97.571%0.7154%0.536SS*.Hα-helixtrans-76.5-20.9174.9-75.4179.114.800112.8I262 E263 D264 A268I262-Q266 HydrophobicContact CG2-CG 4.47Å; I262-Q266 VanDerWaalsContact CG2-NE2 3.31Å; I262-Q266 WeakPolarHBondContact O-CB 2.97Å; I262-Q266 VanDerWaalsContact O-CG 3.27Å; I262-Q266 WeakPolarHBondContact O-CG 3.49Å; I262-Q266 PolarHBondContact O-N 2.92Å; E263-Q266 PolarHBondContact O-N 3.19Å; D264-Q266 VanDerWaalsContact C-N 3.31Å; D264-Q266 PolarHBondContact O-N 2.95Å; Q266-A268 PolarHBondContact O-N 2.91Å
267M69.7Low85.3Confident132 Ų13299.6 Ų99.665%0.6555%0.551SS**  trans-79.544.6177.4-65.1-170-153.700112.7E263 D264 H265 V269E263-M267 WeakPolarHBondContact O-CG 3.4Å; E263-M267 PolarHBondContact O-N 2.81Å; D264-M267 PolarHBondContact O-N 3.47Å; H265-M267 VanDerWaalsContact C-N 3.33Å; M267-V269 VanDerWaalsContact C-N 3.27Å; M267-V269 WeakPolarHBondContact O-CG2 3.38Å; M267-V269 PolarHBondContact O-N 3.49Å
268A65.6Low85Confident90 Ų9095.2 Ų95.274%0.74454%0.536SS*.  trans-60.191171.700000110Q266 T270Q266-A268 PolarHBondContact O-N 2.91Å; A268-T270 PolarHBondContact O-N 3.03Å
269V68Low84.9Confident115 Ų115100 Ų10070%0.69755%0.545SS*.  trans-71.3122.1174.9-175.10000106.6M267 G271M267-V269 VanDerWaalsContact C-N 3.27Å; M267-V269 WeakPolarHBondContact O-CG2 3.38Å; M267-V269 PolarHBondContact O-N 3.49Å; V269-G271 PolarHBondContact O-N 3.37Å
270T67.4Low84.9Confident74 Ų7494 Ų9445%0.45452%0.52SS..  trans-54.5115.6171.848.80000108.7A268 G272A268-T270 PolarHBondContact O-N 3.03Å; T270-G272 PolarHBondContact O-N 2.71Å
271G75.3Confident84.9Confident78 Ų7893.2 Ų93.280%0.80453%0.534SS*.SBendtrans-56.8137.5-178.900000112.1V269V269-G271 PolarHBondContact O-N 3.37Å
272G83.3Confident84.8Confident43 Ų4397.1 Ų97.144%0.44355%0.545SS..SBendtrans152.7165.9-178.300000110.9T270T270-G272 PolarHBondContact O-N 2.71Å
273T88.5Confident85Confident72 Ų7295 Ų9544%0.44254%0.537SS..EExtended strand (participates in β ladder)trans-87.4116.4173.638.10000109.2T289 Y290T273-T289 WeakPolarHBondContact O-CA 2.87Å; T273-Y290 PolarHBondContact N-O 2.95Å; T273-Y290 VanDerWaalsContact N-O 3.08Å; T273-Y290 VanDerWaalsContact O-CD1 3.32Å; T273-Y290 WeakPolarHBondContact O-CD1 3.37Å; T273-Y290 PolarHBondContact O-N 3.24Å; T273-Y290 VanDerWaalsContact OG1-CD1 3.22Å; T273-Y290 WeakPolarHBondContact OG1-CD1 3.24Å; T273-Y290 WeakPolarHBondContact OG1-CE1 3.37Å; T273-Y290 PolarHBondContact OG1-O 3.05Å
274E90.1Very high85.1Confident118 Ų11898.3 Ų98.355%0.55155%0.55SS**EExtended strand (participates in β ladder)trans-67.4136.5174.5-60.4-161141.900110.7T289 N309E274-T289 HydrophobicContact CB-CG2 4.46Å; E274-T289 HydrophobicContact CG-CG2 3.75Å; E274-N309 PolarHBondContact OE1-ND2 3.08Å
275T91.2Very high85.3Confident20 Ų2097.2 Ų97.212%0.12354%0.541CS..EExtended strand (participates in β ladder)trans-145.4142.1178.354.50000111.4L277 C288 Y290T275-L277 HydrophobicContact CG2-CD1 4.39Å; T275-C288 PolarHBondContact N-O 2.94Å; T275-C288 PolarHBondContact O-N 3.13Å; T275-C288 PolarHBondContact OG1-O 3.14Å; T275-Y290 HydrophobicContact CG2-CD1 3.35Å; T275-Y290 HydrophobicContact CG2-CE1 3.19Å
276D92.2Very high85.7Confident117 Ų11793.1 Ų93.163%0.62653%0.527SS*.SBendtrans-97.11.8170.6-68.6-36000113.1L278 T286D276-L278 VanDerWaalsContact C-N 3.26Å; D276-L278 PolarHBondContact O-N 2.93Å; D276-T286 WeakPolarHBondContact O-CB 2.9Å
277L90.9Very high86.2Confident158 Ų15890.4 Ų90.483%0.82751%0.512SS*.SBendtrans-72-21.1-178.4-68.9154.4000112.6T275T275-L277 HydrophobicContact CG2-CD1 4.39Å
278L89.5Confident87.3Confident36 Ų3684.1 Ų84.119%0.18848%0.482CS..  trans-110.2119.6-170.6-60175.4000110.1D276 T286 C288 V306 W315 F317D276-L278 VanDerWaalsContact C-N 3.26Å; D276-L278 PolarHBondContact O-N 2.93Å; L278-T286 CarbonylContact O-C 3.53Å; L278-T286 WeakPolarHBondContact O-CA 3.42Å; L278-C288 HydrophobicContact CB-CB 4.13Å; L278-C288 PolarHBondContact O-SG 3.43Å; L278-V306 HydrophobicContact CB-CG1 4.42Å; L278-V306 HydrophobicContact CD1-CB 4.27Å; L278-V306 HydrophobicContact CD1-CG1 3.57Å; L278-V306 HydrophobicContact CD1-CG2 3.64Å; L278-W315 HydrophobicContact CB-CZ2 4.37Å; L278-F317 HydrophobicContact CD1-CE2 4.31Å; L278-F317 HydrophobicContact CD2-CE2 3.72Å; L278-F317 HydrophobicContact CD2-CZ 4Å
279R92.7Very high88.5Confident182 Ų18280.1 Ų80.169%0.68745%0.448SS*.  trans-90.8126175.6-173.9179-71.7-165-3.2110.6G281 K284R279-G281 PolarHBondContact O-N 3.08Å; R279-K284 WeakPolarHBondContact CG-O 3.32Å
280C94.4Very high89.7Confident1 Ų178.1 Ų78.11%0.00743%0.428CS..  trans-66.3129.8175.6-178.90000111.8K282 C283 K284 Q285 C308 C311 W315C280-K282 VanDerWaalsContact C-N 3.29Å; C280-K282 PolarHBondContact O-N 3.42Å; C280-K282 PolarHBondContact SG-N 3.01Å; C280-C283 VanDerWaalsContact SG-SG 3.7Å; C280-K284 WeakPolarHBondContact O-CA 3.22Å; C280-K284 PolarHBondContact O-N 3.47Å; C280-Q285 PolarHBondContact N-O 2.88Å; C280-C308 HydrophobicContact CB-CB 3.92Å; C280-C308 VanDerWaalsContact CB-SG 3.56Å; C280-C311 PolarHBondContact SG-SG 2.97Å; C280-W315 HydrophobicContact CB-CH2 4.28Å; C280-W315 HydrophobicContact CB-CZ3 4.44Å
281G92.7Very high90.8Very high68 Ų6877.3 Ų77.370%0.70142%0.421SS*.THydrogen-bonded Turntrans-65.9-25.217800000115R279R279-G281 PolarHBondContact O-N 3.08Å
282K92.9Very high91.6Very high154 Ų15478.6 Ų78.667%0.6741%0.406SS*.THydrogen-bonded Turntrans-87.3-56.2-178.2-66.4-166.3179.5-173.60113.1C280 H313C280-K282 VanDerWaalsContact C-N 3.29Å; C280-K282 PolarHBondContact O-N 3.42Å; C280-K282 PolarHBondContact SG-N 3.01Å; K282-H313 HydrophobicContact CD-CB 4.12Å; K282-H313 WeakPolarHBondContact CE-ND1 3.44Å; K282-H313 HydrophobicContact CG-CB 4.4Å
283C95.1Very high91.9Very high42 Ų4279.5 Ų79.528%0.28440%0.403SS..THydrogen-bonded Turntrans-97.8-6.8-176.364.80000114.2C280 Q285 C308 C311C280-C283 VanDerWaalsContact SG-SG 3.7Å; C283-Q285 PolarHBondContact O-N 2.81Å; C283-Q285 VanDerWaalsContact O-N 3.11Å; C283-C308 VanDerWaalsContact SG-SG 3.64Å; C283-C311 HydrophobicContact CB-CB 4.09Å
284K92.1Very high92Very high156 Ų15680 Ų8068%0.67840%0.401SS*.  trans62.410.4-179.3-54.5178.9-179.1178.70115.6R279 C280R279-K284 WeakPolarHBondContact CG-O 3.32Å; C280-K284 WeakPolarHBondContact O-CA 3.22Å; C280-K284 PolarHBondContact O-N 3.47Å
285Q92.6Very high91.8Very high91 Ų9177.5 Ų77.543%0.42539%0.394SS..  trans-85.2159.7174-67164.2-16.600111.1C280 C283 N310C280-Q285 PolarHBondContact N-O 2.88Å; C283-Q285 PolarHBondContact O-N 2.81Å; C283-Q285 VanDerWaalsContact O-N 3.11Å; Q285-N310 PolarHBondContact OE1-ND2 3.39Å
286T93.6Very high91.7Very high57 Ų5783.4 Ų83.435%0.3541%0.414SS..  trans-99.3-14.1-172.849.80000114.6D276 L278 C288D276-T286 WeakPolarHBondContact O-CB 2.9Å; L278-T286 CarbonylContact O-C 3.53Å; L278-T286 WeakPolarHBondContact O-CA 3.42Å; T286-C288 PolarHBondContact O-N 2.96Å
287K92.5Very high91.5Very high94 Ų9481 Ų8141%0.40941%0.406SS..  trans-70.294.9-177.3-164.6179-175.4178.80110.9N309K287-N309 HydrophobicContact CD-CB 4.26Å; K287-N309 HydrophobicContact CG-CB 4.1Å; K287-N309 PolarHBondContact O-N 3.34Å
288C91.7Very high91.2Very high1 Ų178.4 Ų78.41%0.00741%0.407CS..EExtended strand (participates in β ladder)trans-130.1143.9-177.9-57.50000111.2T275 L278 T286 V306 Y307T275-C288 PolarHBondContact N-O 2.94Å; T275-C288 PolarHBondContact O-N 3.13Å; T275-C288 PolarHBondContact OG1-O 3.14Å; L278-C288 HydrophobicContact CB-CB 4.13Å; L278-C288 PolarHBondContact O-SG 3.43Å; T286-C288 PolarHBondContact O-N 2.96Å; C288-V306 HydrophobicContact CB-CG1 3.85Å; C288-Y307 CarbonylContact C-O 3.51Å; C288-Y307 VanDerWaalsContact CA-O 3.24Å; C288-Y307 WeakPolarHBondContact CA-O 3.49Å
289T92.5Very high91.2Very high6 Ų684.1 Ų84.14%0.03744%0.438CS..EExtended strand (participates in β ladder)trans-100.6137.3167.937.50000109.2T273 E274 V306 Y307 N309T273-T289 WeakPolarHBondContact O-CA 2.87Å; E274-T289 HydrophobicContact CB-CG2 4.46Å; E274-T289 HydrophobicContact CG-CG2 3.75Å; T289-V306 CarbonylContact O-C 3.51Å; T289-V306 WeakPolarHBondContact O-CA 3.18Å; T289-Y307 PolarHBondContact N-O 3.13Å; T289-Y307 PolarHBondContact O-N 2.81Å; T289-Y307 WeakPolarHBondContact OG1-CD1 3.48Å; T289-Y307 PolarHBondContact OG1-O 3.19Å; T289-N309 PolarHBondContact OG1-OD1 3.4Å
290Y92.3Very high90.9Very high72 Ų7279 Ų7928%0.28242%0.422SS..EExtended strand (participates in β ladder)trans-120.2154.4172.281.1-83.7000111.7T273 T275 Q292 T304 F305T273-Y290 PolarHBondContact N-O 2.95Å; T273-Y290 VanDerWaalsContact N-O 3.08Å; T273-Y290 VanDerWaalsContact O-CD1 3.32Å; T273-Y290 WeakPolarHBondContact O-CD1 3.37Å; T273-Y290 PolarHBondContact O-N 3.24Å; T273-Y290 VanDerWaalsContact OG1-CD1 3.22Å; T273-Y290 WeakPolarHBondContact OG1-CD1 3.24Å; T273-Y290 WeakPolarHBondContact OG1-CE1 3.37Å; T273-Y290 PolarHBondContact OG1-O 3.05Å; T275-Y290 HydrophobicContact CG2-CD1 3.35Å; T275-Y290 HydrophobicContact CG2-CE1 3.19Å; Y290-Q292 HydrophobicContact CD2-CG 4.14Å; Y290-Q292 HydrophobicContact CE2-CG 4.11Å; Y290-T304 HydrophobicContact CD2-CG2 3.88Å; Y290-T304 HydrophobicContact CG-CG2 4.36Å; Y290-F305 CarbonylContact C-O 3.48Å; Y290-F305 WeakPolarHBondContact CA-O 2.77Å; Y290-F305 WeakPolarHBondContact CB-O 3.27Å
291N91.2Very high90.6Very high58 Ų5883.3 Ų83.331%0.3145%0.45SS..EExtended strand (participates in β ladder)trans-145.1136.617266.2-64.7000109.9F305N291-F305 PolarHBondContact N-O 3.11Å; N291-F305 PolarHBondContact O-N 3.29Å; N291-F305 VanDerWaalsContact OD1-CB 3.27Å; N291-F305 WeakPolarHBondContact OD1-CB 3.3Å; N291-F305 PolarHBondContact OD1-O 3.4Å
292Q90.8Very high90.5Very high104 Ų10484.6 Ų84.649%0.48644%0.439SS..EExtended strand (participates in β ladder)trans-102.3128.9-178.8-61.6-176-27.900109.9Y290 M302 T303 T304Y290-Q292 HydrophobicContact CD2-CG 4.14Å; Y290-Q292 HydrophobicContact CE2-CG 4.11Å; Q292-M302 HydrophobicContact CB-CE 3.73Å; Q292-T303 WeakPolarHBondContact CA-O 3.22Å; Q292-T304 HydrophobicContact CG-CG2 4.22Å; Q292-T304 PolarHBondContact NE2-OG1 3.18Å
293V89.8Confident90.5Very high63 Ų6377.7 Ų77.738%0.38241%0.409SS..EExtended strand (participates in β ladder)trans-138.5135-178.4-175.10000109.5T295 T303 F305V293-T295 HydrophobicContact CB-CG2 4.38Å; V293-T295 HydrophobicContact CG1-CG2 4.31Å; V293-T295 PolarHBondContact O-N 2.81Å; V293-T295 VanDerWaalsContact O-N 3.14Å; V293-T303 PolarHBondContact N-O 2.77Å; V293-T303 PolarHBondContact O-N 2.79Å; V293-F305 HydrophobicContact CB-CD2 4.28Å; V293-F305 HydrophobicContact CB-CE2 4.04Å; V293-F305 HydrophobicContact CG2-CD2 4.2Å; V293-F305 HydrophobicContact CG2-CE2 4.35Å
294Q91.1Very high90.4Very high82 Ų8276.9 Ų76.938%0.38340%0.403SS..  trans-73.799.9170.5-170.363.828.300108.9R296 S297 E300 M302Q294-R296 PolarHBondContact NE2-O 2.91Å; Q294-R296 VanDerWaalsContact NE2-O 3.13Å; Q294-S297 PolarHBondContact NE2-O 3.05Å; Q294-E300 PolarHBondContact NE2-O 2.94Å; Q294-M302 VanDerWaalsContact OE1-CG 3.31Å
295T87Confident90.3Very high66 Ų6671.4 Ų71.441%0.40538%0.379SS..  trans-94.8-10.7-176.563.10000113.9V293 T303 F305V293-T295 HydrophobicContact CB-CG2 4.38Å; V293-T295 HydrophobicContact CG1-CG2 4.31Å; V293-T295 PolarHBondContact O-N 2.81Å; V293-T295 VanDerWaalsContact O-N 3.14Å; T295-T303 PolarHBondContact OG1-OG1 3.4Å; T295-F305 HydrophobicContact CG2-CE2 3.52Å; T295-F305 HydrophobicContact CG2-CZ 3.65Å
296R87.4Confident90.3Very high144 Ų14467.1 Ų67.154%0.54336%0.359SS..SBendtrans-136.2-176.2-171.7-68.3-176.9168.9-151.21.2111.2Q294 E300Q294-R296 PolarHBondContact NE2-O 2.91Å; Q294-R296 VanDerWaalsContact NE2-O 3.13Å; R296-E300 HydrophobicContact CB-CB 4.12Å; R296-E300 HydrophobicContact CB-CG 4.38Å; R296-E300 VanDerWaalsContact CD-CD 3.41Å; R296-E300 WeakPolarHBondContact CD-OE2 3.2Å; R296-E300 IonicContact CZ-OE2 3.79Å; R296-E300 IonicContact NE-OE2 3.68Å; R296-E300 IonicContact NH1-OE1 3.11Å; R296-E300 PolarHBondContact NH1-OE1 2.85Å; R296-E300 VanDerWaalsContact NH1-OE1 3.11Å; R296-E300 IonicContact NH1-OE2 3.13Å; R296-E300 PolarHBondContact NH1-OE2 3.13Å; R296-E300 VanDerWaalsContact NH1-OE2 3.13Å
297S89Confident90.3Very high67 Ų6768.2 Ų68.247%0.46936%0.357SS..  trans-51.5159.3-179.441.60000112.7Q294 D299 E300Q294-S297 PolarHBondContact NE2-O 3.05Å; S297-D299 PolarHBondContact O-N 2.86Å; S297-D299 VanDerWaalsContact O-N 3.08Å; S297-E300 PolarHBondContact O-N 2.85Å
298A84.5Confident90.3Very high102 Ų10263.7 Ų63.784%0.84334%0.338SS*.THydrogen-bonded Turntrans-60-19.7-178.400000113.9
299D89.8Confident90.2Very high157 Ų15765.6 Ų65.684%0.8435%0.348SS*.THydrogen-bonded Turntrans-81.7-12.2178.6-55.3-46.6000113.6S297S297-D299 PolarHBondContact O-N 2.86Å; S297-D299 VanDerWaalsContact O-N 3.08Å
300E85.1Confident90.1Very high75 Ų7569.2 Ų69.235%0.3537%0.367SS..SBendtrans-98.6142.9177.3-67.7-163.9-152.100111.3Q294 R296 S297Q294-E300 PolarHBondContact NE2-O 2.94Å; R296-E300 HydrophobicContact CB-CB 4.12Å; R296-E300 HydrophobicContact CB-CG 4.38Å; R296-E300 VanDerWaalsContact CD-CD 3.41Å; R296-E300 WeakPolarHBondContact CD-OE2 3.2Å; R296-E300 IonicContact CZ-OE2 3.79Å; R296-E300 IonicContact NE-OE2 3.68Å; R296-E300 IonicContact NH1-OE1 3.11Å; R296-E300 PolarHBondContact NH1-OE1 2.85Å; R296-E300 VanDerWaalsContact NH1-OE1 3.11Å; R296-E300 IonicContact NH1-OE2 3.13Å; R296-E300 PolarHBondContact NH1-OE2 3.13Å; R296-E300 VanDerWaalsContact NH1-OE2 3.13Å; S297-E300 PolarHBondContact O-N 2.85Å
301P89Confident90.1Very high91 Ų9168.6 Ų68.659%0.59137%0.372SS*.PPolyproline II helixtrans-65.8158.5178.229.3-35.3000111.9T303P301-T303 PolarHBondContact O-N 2.97Å
302M91.2Very high90Very high95 Ų9567.5 Ų67.547%0.46838%0.375SS..PPolyproline II helixtrans-58.3135.3176.6-67.5179.874.100111.4Q292 Q294Q292-M302 HydrophobicContact CB-CE 3.73Å; Q294-M302 VanDerWaalsContact OE1-CG 3.31Å
303T92.3Very high90.1Very high9 Ų965 Ų656%0.05536%0.364CS..EExtended strand (participates in β ladder)trans-83.9126.9176.5-51.30000109.9Q292 V293 T295 P301 F305 K316Q292-T303 WeakPolarHBondContact CA-O 3.22Å; V293-T303 PolarHBondContact N-O 2.77Å; V293-T303 PolarHBondContact O-N 2.79Å; T295-T303 PolarHBondContact OG1-OG1 3.4Å; P301-T303 PolarHBondContact O-N 2.97Å; T303-F305 HydrophobicContact CG2-CE2 4.16Å; T303-F305 HydrophobicContact CG2-CZ 4.25Å; T303-K316 HydrophobicContact CG2-CB 4.02Å; T303-K316 HydrophobicContact CG2-CD 4.06Å
304T91.9Very high90.2Very high24 Ų2469.2 Ų69.215%0.14737%0.372CS..EExtended strand (participates in β ladder)trans-92114.1174.6-58.20000109.5Y290 Q292 V306 K316 F317Y290-T304 HydrophobicContact CD2-CG2 3.88Å; Y290-T304 HydrophobicContact CG-CG2 4.36Å; Q292-T304 HydrophobicContact CG-CG2 4.22Å; Q292-T304 PolarHBondContact NE2-OG1 3.18Å; T304-V306 HydrophobicContact CG2-CG2 4.2Å; T304-K316 CarbonylContact O-C 3.54Å; T304-K316 WeakPolarHBondContact O-CA 3.13Å; T304-F317 PolarHBondContact N-O 3.26Å; T304-F317 PolarHBondContact O-N 3.11Å
305F91.8Very high90.3Very high42 Ų4267.8 Ų67.818%0.18436%0.364CS..EExtended strand (participates in β ladder)trans-89.3139.4170.2-67.7-84.8000109.8Y290 N291 V293 T295 T303 K316Y290-F305 CarbonylContact C-O 3.48Å; Y290-F305 WeakPolarHBondContact CA-O 2.77Å; Y290-F305 WeakPolarHBondContact CB-O 3.27Å; N291-F305 PolarHBondContact N-O 3.11Å; N291-F305 PolarHBondContact O-N 3.29Å; N291-F305 VanDerWaalsContact OD1-CB 3.27Å; N291-F305 WeakPolarHBondContact OD1-CB 3.3Å; N291-F305 PolarHBondContact OD1-O 3.4Å; V293-F305 HydrophobicContact CB-CD2 4.28Å; V293-F305 HydrophobicContact CB-CE2 4.04Å; V293-F305 HydrophobicContact CG2-CD2 4.2Å; V293-F305 HydrophobicContact CG2-CE2 4.35Å; T295-F305 HydrophobicContact CG2-CE2 3.52Å; T295-F305 HydrophobicContact CG2-CZ 3.65Å; T303-F305 HydrophobicContact CG2-CE2 4.16Å; T303-F305 HydrophobicContact CG2-CZ 4.25Å; F305-K316 HydrophobicContact CD1-CB 4.11Å; F305-K316 HydrophobicContact CE1-CB 4.35Å; F305-K316 HydrophobicContact CE1-CD 4.45Å
306V92.7Very high90.5Very high0 Ų070 Ų700%037%0.368CS..EExtended strand (participates in β ladder)trans-129.4135.9-178.9-172.10000109.1L278 C288 T289 T304 R314 W315 F317L278-V306 HydrophobicContact CB-CG1 4.42Å; L278-V306 HydrophobicContact CD1-CB 4.27Å; L278-V306 HydrophobicContact CD1-CG1 3.57Å; L278-V306 HydrophobicContact CD1-CG2 3.64Å; C288-V306 HydrophobicContact CB-CG1 3.85Å; T289-V306 CarbonylContact O-C 3.51Å; T289-V306 WeakPolarHBondContact O-CA 3.18Å; T304-V306 HydrophobicContact CG2-CG2 4.2Å; V306-R314 CarbonylContact O-C 3.54Å; V306-R314 WeakPolarHBondContact O-CA 3.36Å; V306-R314 VanDerWaalsContact O-CG 3.3Å; V306-R314 WeakPolarHBondContact O-CG 3.49Å; V306-W315 HydrophobicContact CB-CD2 3.99Å; V306-W315 HydrophobicContact CB-CE3 4.39Å; V306-W315 HydrophobicContact CB-CG 4.48Å; V306-W315 HydrophobicContact CB-CH2 4.3Å; V306-W315 HydrophobicContact CB-CZ2 3.9Å; V306-W315 HydrophobicContact CG1-CD2 4.3Å; V306-W315 HydrophobicContact CG1-CE3 4.42Å; V306-W315 HydrophobicContact CG1-CH2 3.54Å; V306-W315 HydrophobicContact CG1-CZ2 3.38Å; V306-W315 HydrophobicContact CG1-CZ3 4.07Å; V306-W315 PolarHBondContact N-O 3.33Å; V306-W315 PolarHBondContact O-N 3.15Å; V306-F317 HydrophobicContact CG2-CD2 3.8Å; V306-F317 HydrophobicContact CG2-CE2 3.71Å
307Y91.9Very high90.5Very high80 Ų8067.8 Ų67.831%0.31436%0.362SS..EExtended strand (participates in β ladder)trans-123.9128176.9176.5-97.7000109.5C288 T289 N309 R314C288-Y307 CarbonylContact C-O 3.51Å; C288-Y307 VanDerWaalsContact CA-O 3.24Å; C288-Y307 WeakPolarHBondContact CA-O 3.49Å; T289-Y307 PolarHBondContact N-O 3.13Å; T289-Y307 PolarHBondContact O-N 2.81Å; T289-Y307 WeakPolarHBondContact OG1-CD1 3.48Å; T289-Y307 PolarHBondContact OG1-O 3.19Å; Y307-N309 WeakPolarHBondContact CD1-OD1 3.5Å; Y307-R314 HydrophobicContact CD2-CB 4.41Å
308C92.7Very high89.8Confident0 Ų071 Ų710%038%0.383CS..EExtended strand (participates in β ladder)trans-85.2119.2173.9178.90000110.2C280 C283 N310 G312 H313 W315C280-C308 HydrophobicContact CB-CB 3.92Å; C280-C308 VanDerWaalsContact CB-SG 3.56Å; C283-C308 VanDerWaalsContact SG-SG 3.64Å; C308-N310 PolarHBondContact O-N 3.46Å; C308-N310 VanDerWaalsContact O-N 3.13Å; C308-G312 WeakPolarHBondContact O-CA 3.38Å; C308-G312 PolarHBondContact O-N 2.68Å; C308-H313 HydrophobicContact CB-CB 4.49Å; C308-H313 PolarHBondContact N-O 2.87Å; C308-W315 HydrophobicContact CB-CZ3 4.04Å
309N89.6Confident90.1Very high40 Ų4069.5 Ų69.521%0.21436%0.36CS..THydrogen-bonded Turntrans-68.7-12.7-176.1-66.8-6.9000113.2E274 K287 T289 Y307E274-N309 PolarHBondContact OE1-ND2 3.08Å; K287-N309 HydrophobicContact CD-CB 4.26Å; K287-N309 HydrophobicContact CG-CB 4.1Å; K287-N309 PolarHBondContact O-N 3.34Å; T289-N309 PolarHBondContact OG1-OD1 3.4Å; Y307-N309 WeakPolarHBondContact CD1-OD1 3.5Å
310N90.4Very high90.1Very high82 Ų8264.9 Ų64.944%0.43934%0.335SS..THydrogen-bonded Turntrans-101.6-36.3-175-62.7-19.5000113.8Q285 C308Q285-N310 PolarHBondContact OE1-ND2 3.39Å; C308-N310 PolarHBondContact O-N 3.46Å; C308-N310 VanDerWaalsContact O-N 3.13Å
311C92.4Very high90.3Very high59 Ų5964.3 Ų64.340%0.39933%0.334SS..THydrogen-bonded Turntrans-117.5-1.6-179.673.20000114.3C280 C283 H313C280-C311 PolarHBondContact SG-SG 2.97Å; C283-C311 HydrophobicContact CB-CB 4.09Å; C311-H313 PolarHBondContact O-N 3.46Å; C311-H313 VanDerWaalsContact SG-CB 3.52Å
312G89.8Confident90.4Very high36 Ų3662.8 Ų62.837%0.37132%0.319SS..  trans70.79.7-178.900000114.8C308 R314C308-G312 WeakPolarHBondContact O-CA 3.38Å; C308-G312 PolarHBondContact O-N 2.68Å; G312-R314 PolarHBondContact O-N 2.94Å
313H92.5Very high90.4Very high52 Ų5260.8 Ų60.824%0.24131%0.31CS..  trans-70.1127.3177.8-174.246.8000110.8K282 C308 C311 W315K282-H313 HydrophobicContact CD-CB 4.12Å; K282-H313 WeakPolarHBondContact CE-ND1 3.44Å; K282-H313 HydrophobicContact CG-CB 4.4Å; C308-H313 HydrophobicContact CB-CB 4.49Å; C308-H313 PolarHBondContact N-O 2.87Å; C311-H313 PolarHBondContact O-N 3.46Å; C311-H313 VanDerWaalsContact SG-CB 3.52Å; H313-W315 AromaticContact CD2-CE3 3.54Å; H313-W315 AromaticContact CD2-CZ3 3.99Å
314R92.1Very high90.2Very high150 Ų15064.2 Ų64.257%0.56633%0.327SS*.EExtended strand (participates in β ladder)trans-112.2135.1175.7-166.6177.7179.2-178.1-2.5110.7V306 Y307 G312V306-R314 CarbonylContact O-C 3.54Å; V306-R314 WeakPolarHBondContact O-CA 3.36Å; V306-R314 VanDerWaalsContact O-CG 3.3Å; V306-R314 WeakPolarHBondContact O-CG 3.49Å; Y307-R314 HydrophobicContact CD2-CB 4.41Å; G312-R314 PolarHBondContact O-N 2.94Å
315W93.4Very high90.1Very high53 Ų5367.1 Ų67.120%0.20134%0.34CS..EExtended strand (participates in β ladder)trans-142.8175.9172.969.797.9000110.5L278 C280 V306 C308 H313 F317L278-W315 HydrophobicContact CB-CZ2 4.37Å; C280-W315 HydrophobicContact CB-CH2 4.28Å; C280-W315 HydrophobicContact CB-CZ3 4.44Å; V306-W315 HydrophobicContact CB-CD2 3.99Å; V306-W315 HydrophobicContact CB-CE3 4.39Å; V306-W315 HydrophobicContact CB-CG 4.48Å; V306-W315 HydrophobicContact CB-CH2 4.3Å; V306-W315 HydrophobicContact CB-CZ2 3.9Å; V306-W315 HydrophobicContact CG1-CD2 4.3Å; V306-W315 HydrophobicContact CG1-CE3 4.42Å; V306-W315 HydrophobicContact CG1-CH2 3.54Å; V306-W315 HydrophobicContact CG1-CZ2 3.38Å; V306-W315 HydrophobicContact CG1-CZ3 4.07Å; V306-W315 PolarHBondContact N-O 3.33Å; V306-W315 PolarHBondContact O-N 3.15Å; C308-W315 HydrophobicContact CB-CZ3 4.04Å; H313-W315 AromaticContact CD2-CE3 3.54Å; H313-W315 AromaticContact CD2-CZ3 3.99Å; W315-F317 AromaticContact NE1-CE2 3.45Å; W315-F317 AromaticContact NE1-CZ 3.46Å
316K91.3Very high90Very high113 Ų11369 Ų6949%0.49135%0.352SS..EExtended strand (participates in β ladder)trans-133.1148178.664.2179.7-177.81760111.4T303 T304 F305T303-K316 HydrophobicContact CG2-CB 4.02Å; T303-K316 HydrophobicContact CG2-CD 4.06Å; T304-K316 CarbonylContact O-C 3.54Å; T304-K316 WeakPolarHBondContact O-CA 3.13Å; F305-K316 HydrophobicContact CD1-CB 4.11Å; F305-K316 HydrophobicContact CE1-CB 4.35Å; F305-K316 HydrophobicContact CE1-CD 4.45Å
317F86.9Confident89.8Confident97 Ų9774.8 Ų74.843%0.42538%0.381SS..EExtended strand (participates in β ladder)trans-100.5127.6163.6-64-76.4000108.1L278 T304 V306 W315L278-F317 HydrophobicContact CD1-CE2 4.31Å; L278-F317 HydrophobicContact CD2-CE2 3.72Å; L278-F317 HydrophobicContact CD2-CZ 4Å; T304-F317 PolarHBondContact N-O 3.26Å; T304-F317 PolarHBondContact O-N 3.11Å; V306-F317 HydrophobicContact CG2-CD2 3.8Å; V306-F317 HydrophobicContact CG2-CE2 3.71Å; W315-F317 AromaticContact NE1-CE2 3.45Å; W315-F317 AromaticContact NE1-CZ 3.46Å
318C74.2Confident89.6Confident135 Ų13574.3 Ų74.391%0.91239%0.387SS*.  trans-91.10163.9-65.40000108.9

Retrieved 318 of 318 residues in 291.6 ms (Link to these results)

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