A0A087Y6D6_POEFO Loading...

SAP domain-containing ribonucleoprotein

Binds both single-stranded and double-stranded DNA with higher affinity for the single-stranded form. Specifically binds to scaffold/matrix attachment region DNA. Also binds single-stranded RNA. Enhances RNA unwinding activity of DDX39A. May participate in important transcriptional or translational control of cell growth, metabolism and carcinogenesis. Component of the TREX complex which is thought to couple mRNA transcription, processing and nuclear export, and specifically associates with spliced mRNA and not with unspliced pre-mRNA. The TREX complex is recruited to spliced mRNAs by a transcription-independent mechanism, binds to mRNA upstream of the exon-junction complex (EJC) and is recruited in a splicing- and cap-dependent manner to a region near the 5' end of the mRNA where it functions in mRNA export to the cytoplasm via the TAP/NXF1 pathway. Associates with DDX39B, which facilitates RNA binding of DDX39B and likely plays a role in mRNA export.

AlphaFold DB , UniProt , Accession A0A087Y6D6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 212 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
1M53.7Low79.4Confident179 Ų17999.2 Ų99.288%0.88250%0.496SS*.  0-47.70-91.7-164-155.700116.5E3 V4 E45M1-E3 VanDerWaalsContact C-N 3.34Å; M1-V4 PolarHBondContact O-N 3.27Å; M1-E45 PolarHBondContact N-OE1 3.24Å; M1-E45 PolarHBondContact N-OE2 3.19Å
2A56.5Low80.6Confident80 Ų8097 Ų9766%0.66149%0.486SS*.Hα-helixtrans-66.4-36.8179.800000112.3V4 I5 E6A2-V4 PolarHBondContact O-N 3.03Å; A2-I5 PolarHBondContact O-N 3.11Å; A2-E6 PolarHBondContact O-N 2.97Å
3E68.3Low81.7Confident102 Ų10295.2 Ų95.248%0.47750%0.495SS..Hα-helixtrans-64.9-37.9177.6-57.9-169.817700112.1M1 I5 E6 L7 L41M1-E3 VanDerWaalsContact C-N 3.34Å; E3-I5 PolarHBondContact O-N 2.71Å; E3-E6 WeakPolarHBondContact O-CB 3.45Å; E3-E6 PolarHBondContact O-N 3.21Å; E3-L7 PolarHBondContact O-N 3.08Å; E3-L41 HydrophobicContact CB-CD1 4.38Å
4V73.8Confident82.6Confident42 Ų4293.6 Ų93.626%0.25548%0.484SS..Hα-helixtrans-59.1-33.8176.1176.40000112.5M1 A2 H8 Q38M1-V4 PolarHBondContact O-N 3.27Å; A2-V4 PolarHBondContact O-N 3.03Å; V4-H8 PolarHBondContact O-ND1 3.34Å; V4-Q38 HydrophobicContact CG1-CG 3.96Å; V4-Q38 PolarHBondContact O-NE2 3.26Å
5I76.8Confident83.4Confident109 Ų10987.3 Ų87.356%0.55945%0.452SS*.Hα-helixtrans-77.9-31.4177.5-61.7171.3000110.6A2 E3 H8A2-I5 PolarHBondContact O-N 3.11Å; E3-I5 PolarHBondContact O-N 2.71Å; I5-H8 PolarHBondContact O-N 3.27Å
6E86.8Confident84.1Confident119 Ų11988.9 Ų88.956%0.55645%0.45SS*.Hα-helixtrans-69.8-33.3-179.8-164.9150.8-148.200112.5A2 E3 H8 K9 L10A2-E6 PolarHBondContact O-N 2.97Å; E3-E6 WeakPolarHBondContact O-CB 3.45Å; E3-E6 PolarHBondContact O-N 3.21Å; E6-H8 PolarHBondContact O-N 2.89Å; E6-H8 VanDerWaalsContact O-N 3.1Å; E6-K9 WeakPolarHBondContact O-CB 3.25Å; E6-K9 PolarHBondContact O-N 3.46Å; E6-L10 PolarHBondContact O-N 3.47Å
7L88.5Confident84.8Confident5 Ų591.5 Ų91.53%0.02646%0.46CS..THydrogen-bonded Turntrans-54.3-32173.7-66.1179.8000113.7E3 K9 L10 L15 E18 I34 L37 Q38 L41E3-L7 PolarHBondContact O-N 3.08Å; L7-K9 VanDerWaalsContact C-N 3.3Å; L7-K9 PolarHBondContact O-N 2.9Å; L7-L10 HydrophobicContact CD2-CD1 4.02Å; L7-L15 HydrophobicContact CB-CD2 4.47Å; L7-L15 HydrophobicContact CD2-CD2 4.3Å; L7-E18 WeakPolarHBondContact CD2-OE2 3.47Å; L7-I34 HydrophobicContact CB-CG2 4.17Å; L7-L37 HydrophobicContact CD1-CB 3.71Å; L7-L37 HydrophobicContact CD2-CB 4.16Å; L7-L37 HydrophobicContact CD2-CD1 4.03Å; L7-Q38 HydrophobicContact CD1-CB 4.46Å; L7-Q38 HydrophobicContact CD1-CG 3.49Å; L7-Q38 VanDerWaalsContact CD1-CG 3.49Å; L7-L41 HydrophobicContact CD1-CD1 3.88Å; L7-L41 HydrophobicContact CG-CD1 4.45Å
8H90.2Very high85.2Confident109 Ų10989.8 Ų89.851%0.50545%0.45SS..THydrogen-bonded Turntrans-71.6-26.2178.1-74.783.1000113.2V4 I5 E6 K30 Q38V4-H8 PolarHBondContact O-ND1 3.34Å; I5-H8 PolarHBondContact O-N 3.27Å; E6-H8 PolarHBondContact O-N 2.89Å; E6-H8 VanDerWaalsContact O-N 3.1Å; H8-K30 PolarHBondContact O-NZ 2.97Å; H8-K30 VanDerWaalsContact O-NZ 3.08Å; H8-Q38 PolarHBondContact CE1-NE2 3.3Å
9K93.4Very high85.7Confident166 Ų16685.1 Ų85.172%0.72243%0.427SS*.THydrogen-bonded Turntrans-83.6-25.5-179.1-62.5177.5-176.8169.90112.4E6 L7E6-K9 WeakPolarHBondContact O-CB 3.25Å; E6-K9 PolarHBondContact O-N 3.46Å; L7-K9 VanDerWaalsContact C-N 3.3Å; L7-K9 PolarHBondContact O-N 2.9Å
10L91.3Very high86.2Confident32 Ų3288 Ų8817%0.16844%0.439CS..SBendtrans-63.3149177.5-67.5171.9000112.4E6 L7 E14 L15 E18 K30E6-L10 PolarHBondContact O-N 3.47Å; L7-L10 HydrophobicContact CD2-CD1 4.02Å; L10-E14 WeakPolarHBondContact CA-OE2 3.28Å; L10-E14 HydrophobicContact CB-CB 4.17Å; L10-E14 HydrophobicContact CD2-CB 4.08Å; L10-E14 VanDerWaalsContact CD2-OE2 3.25Å; L10-E14 WeakPolarHBondContact CD2-OE2 3.22Å; L10-L15 HydrophobicContact CB-CD2 4.03Å; L10-L15 HydrophobicContact CB-CG 3.97Å; L10-L15 HydrophobicContact CD1-CD2 4.22Å; L10-E18 WeakPolarHBondContact CD1-OE1 3.47Å; L10-K30 WeakPolarHBondContact O-CE 3.25Å; L10-K30 PolarHBondContact O-NZ 3.18Å
11K94.3Very high86.5Confident148 Ų14888 Ų8864%0.64345%0.453SS*.  trans-77.8160.2174.3-70.6174.7-175.3152.80110.3A13 E14 L15K11-A13 PolarHBondContact O-N 3.25Å; K11-A13 VanDerWaalsContact O-N 3.16Å; K11-E14 PolarHBondContact N-OE2 3.06Å; K11-E14 PolarHBondContact O-N 3.33Å; K11-E14 VanDerWaalsContact O-N 3.09Å; K11-L15 WeakPolarHBondContact O-CG 3.38Å; K11-L15 PolarHBondContact O-N 3.32Å
12L93.5Very high88.3Confident73 Ų7383.7 Ų83.738%0.38243%0.427SS..Hα-helixtrans-56.9-33.8179.8-174.667.7000113.2R16 K30 L33L12-R16 WeakPolarHBondContact O-CG 3.18Å; L12-R16 PolarHBondContact O-N 3.23Å; L12-R16 VanDerWaalsContact O-N 3.08Å; L12-K30 HydrophobicContact CD1-CB 4Å; L12-K30 HydrophobicContact CD1-CG 4.25Å; L12-L33 HydrophobicContact CD1-CD1 3.37Å
13A94.6Very high90Very high73 Ų7383.3 Ų83.360%0.60343%0.43SS*.Hα-helixtrans-66.9-45.3177.100000111.7K11 R16 Q17K11-A13 PolarHBondContact O-N 3.25Å; K11-A13 VanDerWaalsContact O-N 3.16Å; A13-R16 PolarHBondContact O-N 3.44Å; A13-Q17 WeakPolarHBondContact O-CB 3.21Å; A13-Q17 PolarHBondContact O-N 3.45Å
14E94.6Very high91.2Very high73 Ų7380.2 Ų80.234%0.34142%0.417SS..Hα-helixtrans-64.6-43.3177.3-67.1157.2-171.100110.5L10 K11 R16 Q17 E18L10-E14 WeakPolarHBondContact CA-OE2 3.28Å; L10-E14 HydrophobicContact CB-CB 4.17Å; L10-E14 HydrophobicContact CD2-CB 4.08Å; L10-E14 VanDerWaalsContact CD2-OE2 3.25Å; L10-E14 WeakPolarHBondContact CD2-OE2 3.22Å; K11-E14 PolarHBondContact N-OE2 3.06Å; K11-E14 PolarHBondContact O-N 3.33Å; K11-E14 VanDerWaalsContact O-N 3.09Å; E14-R16 VanDerWaalsContact C-N 3.3Å; E14-R16 PolarHBondContact O-N 2.76Å; E14-Q17 WeakPolarHBondContact O-CB 3.03Å; E14-Q17 PolarHBondContact O-N 3.04Å; E14-Q17 VanDerWaalsContact O-N 3.13Å; E14-E18 PolarHBondContact O-N 2.81Å
15L95.4Very high92.2Very high0 Ų082.6 Ų82.60%043%0.425CS..Hα-helixtrans-60.4-37.8175.3-70.4168.8000112.9L7 L10 K11 C19 K30 L33 I34 L37L7-L15 HydrophobicContact CB-CD2 4.47Å; L7-L15 HydrophobicContact CD2-CD2 4.3Å; L10-L15 HydrophobicContact CB-CD2 4.03Å; L10-L15 HydrophobicContact CB-CG 3.97Å; L10-L15 HydrophobicContact CD1-CD2 4.22Å; K11-L15 WeakPolarHBondContact O-CG 3.38Å; K11-L15 PolarHBondContact O-N 3.32Å; L15-C19 WeakPolarHBondContact O-CB 3.48Å; L15-C19 PolarHBondContact O-N 3.05Å; L15-C19 PolarHBondContact O-SG 2.87Å; L15-C19 VanDerWaalsContact O-SG 3.35Å; L15-K30 HydrophobicContact CD1-CD 4.17Å; L15-K30 VanDerWaalsContact CD1-CE 3.45Å; L15-K30 HydrophobicContact CD1-CG 3.53Å; L15-L33 HydrophobicContact CB-CB 4.18Å; L15-I34 HydrophobicContact CD1-CD1 4.02Å; L15-I34 HydrophobicContact CD1-CG1 3.7Å; L15-I34 HydrophobicContact CD2-CG1 3.78Å; L15-I34 HydrophobicContact CG-CG1 4.4Å; L15-L37 HydrophobicContact CB-CD1 4.48Å; L15-L37 HydrophobicContact CD2-CD1 3.73Å
16R94.7Very high93Very high112 Ų11279.7 Ų79.742%0.42341%0.413SS..Hα-helixtrans-70.1-40.3174.5-77.4-179.1176.3176.31.8112L12 A13 E14 E18 C19 E20 T26 L33L12-R16 WeakPolarHBondContact O-CG 3.18Å; L12-R16 PolarHBondContact O-N 3.23Å; L12-R16 VanDerWaalsContact O-N 3.08Å; A13-R16 PolarHBondContact O-N 3.44Å; E14-R16 VanDerWaalsContact C-N 3.3Å; E14-R16 PolarHBondContact O-N 2.76Å; R16-E18 VanDerWaalsContact C-N 3.34Å; R16-C19 PolarHBondContact O-N 3.34Å; R16-E20 WeakPolarHBondContact O-CB 3.49Å; R16-E20 PolarHBondContact O-N 3.32Å; R16-T26 WeakPolarHBondContact O-CG2 3.31Å; R16-L33 HydrophobicContact CG-CD1 3.84Å; R16-L33 HydrophobicContact CG-CD2 3.9Å
17Q95.8Very high93.4Very high134 Ų13480.9 Ų80.963%0.62642%0.416SS*.Hα-helixtrans-63.5-41.6177.4-176.91790.200111.1A13 E14 E20 A21A13-Q17 WeakPolarHBondContact O-CB 3.21Å; A13-Q17 PolarHBondContact O-N 3.45Å; E14-Q17 WeakPolarHBondContact O-CB 3.03Å; E14-Q17 PolarHBondContact O-N 3.04Å; E14-Q17 VanDerWaalsContact O-N 3.13Å; Q17-E20 PolarHBondContact O-N 2.83Å; Q17-A21 VanDerWaalsContact O-CB 3.25Å; Q17-A21 WeakPolarHBondContact O-CB 3.31Å; Q17-A21 PolarHBondContact O-N 3.33Å
18E91.4Very high93.6Very high60 Ų6082.4 Ų82.428%0.2843%0.433SS..Hα-helixtrans-66.7-40.4175.1-74.3-172-172.400112.1L7 L10 E14 R16 E20 A21 R22 L37L7-E18 WeakPolarHBondContact CD2-OE2 3.47Å; L10-E18 WeakPolarHBondContact CD1-OE1 3.47Å; E14-E18 PolarHBondContact O-N 2.81Å; R16-E18 VanDerWaalsContact C-N 3.34Å; E18-E20 VanDerWaalsContact C-N 3.35Å; E18-A21 PolarHBondContact O-N 3.13Å; E18-R22 WeakPolarHBondContact O-CB 3.37Å; E18-R22 WeakPolarHBondContact O-CG 3.36Å; E18-R22 PolarHBondContact O-N 2.95Å; E18-L37 HydrophobicContact CB-CD1 3.98Å; E18-L37 HydrophobicContact CB-CD2 3.92Å
19C94.9Very high93.8Very high0 Ų081.6 Ų81.60%043%0.433CS..Hα-helixtrans-58.9-47.6171.4-77.50000111.1L15 R16 R22 G23 L24 T26 L33 L37L15-C19 WeakPolarHBondContact O-CB 3.48Å; L15-C19 PolarHBondContact O-N 3.05Å; L15-C19 PolarHBondContact O-SG 2.87Å; L15-C19 VanDerWaalsContact O-SG 3.35Å; R16-C19 PolarHBondContact O-N 3.34Å; C19-R22 CarbonylContact O-C 3.5Å; C19-R22 PolarHBondContact O-N 2.83Å; C19-G23 PolarHBondContact O-N 3.36Å; C19-L24 HydrophobicContact CB-CB 4.03Å; C19-L24 WeakPolarHBondContact O-CA 3.39Å; C19-L24 WeakPolarHBondContact O-CB 3.39Å; C19-L24 PolarHBondContact O-N 2.93Å; C19-T26 HydrophobicContact CB-CG2 3.93Å; C19-L33 HydrophobicContact CB-CD2 4.14Å; C19-L33 WeakPolarHBondContact SG-CD2 3.41Å; C19-L37 VanDerWaalsContact SG-CG 3.59Å
20E95.4Very high93.8Very high144 Ų14477.9 Ų77.967%0.67342%0.416SS*.Hα-helixtrans-64.2-42.3179.9-171.5169-173.400112.3R16 Q17 E18 R22 G23 T26R16-E20 WeakPolarHBondContact O-CB 3.49Å; R16-E20 PolarHBondContact O-N 3.32Å; Q17-E20 PolarHBondContact O-N 2.83Å; E18-E20 VanDerWaalsContact C-N 3.35Å; E20-R22 PolarHBondContact O-N 3.27Å; E20-G23 PolarHBondContact O-N 2.79Å; E20-T26 HydrophobicContact CB-CG2 3.95Å
21A92.8Very high94Very high88 Ų8878.3 Ų78.373%0.72743%0.428SS*.Hα-helixtrans-62.5-32.317700000112.5Q17 E18Q17-A21 VanDerWaalsContact O-CB 3.25Å; Q17-A21 WeakPolarHBondContact O-CB 3.31Å; Q17-A21 PolarHBondContact O-N 3.33Å; E18-A21 PolarHBondContact O-N 3.13Å
22R91.6Very high94Very high88 Ų8874.4 Ų74.433%0.33242%0.415SS..THydrogen-bonded Turntrans-92.34176.6-65.4170.3-177.7-102.12.3113E18 C19 E20 L24 Y40 L41E18-R22 WeakPolarHBondContact O-CB 3.37Å; E18-R22 WeakPolarHBondContact O-CG 3.36Å; E18-R22 PolarHBondContact O-N 2.95Å; C19-R22 CarbonylContact O-C 3.5Å; C19-R22 PolarHBondContact O-N 2.83Å; E20-R22 PolarHBondContact O-N 3.27Å; R22-L24 HydrophobicContact CB-CD1 3.98Å; R22-L24 HydrophobicContact CB-CG 4.13Å; R22-L24 PolarHBondContact O-N 3.49Å; R22-Y40 HydrophobicContact CB-CD1 4.39Å; R22-Y40 HydrophobicContact CB-CE1 4.04Å; R22-Y40 HydrophobicContact CB-CE2 4.49Å; R22-Y40 HydrophobicContact CG-CD1 4.28Å; R22-Y40 HydrophobicContact CG-CE1 3.85Å; R22-Y40 VanDerWaalsContact NH1-CD1 3.26Å; R22-L41 VanDerWaalsContact NH1-CD2 3.28Å
23G92.6Very high94.1Very high72 Ų7271 Ų7174%0.74240%0.396SS*.THydrogen-bonded Turntrans69.117.2-179.100000114.9C19 E20C19-G23 PolarHBondContact O-N 3.36Å; E20-G23 PolarHBondContact O-N 2.79Å
24L92.5Very high94.1Very high37 Ų3767.9 Ų67.919%0.19437%0.37CS..  trans-84.6151.5177.9-61.9166.4000111.1C19 R22 T26 R36 L37 Y40C19-L24 HydrophobicContact CB-CB 4.03Å; C19-L24 WeakPolarHBondContact O-CA 3.39Å; C19-L24 WeakPolarHBondContact O-CB 3.39Å; C19-L24 PolarHBondContact O-N 2.93Å; R22-L24 HydrophobicContact CB-CD1 3.98Å; R22-L24 HydrophobicContact CB-CG 4.13Å; R22-L24 PolarHBondContact O-N 3.49Å; L24-T26 PolarHBondContact O-N 3.48Å; L24-R36 HydrophobicContact CB-CG 4.24Å; L24-R36 HydrophobicContact CD1-CG 4.28Å; L24-R36 HydrophobicContact CD2-CG 4.1Å; L24-R36 HydrophobicContact CG-CG 4.45Å; L24-L37 HydrophobicContact CD1-CD2 3.84Å; L24-L37 HydrophobicContact CD1-CG 4.49Å; L24-Y40 HydrophobicContact CD1-CD2 4.14Å; L24-Y40 HydrophobicContact CD1-CG 3.88Å; L24-Y40 HydrophobicContact CD2-CD2 3.86Å; L24-Y40 HydrophobicContact CD2-CG 4.36Å; L24-Y40 HydrophobicContact CG-CD2 4.24Å; L24-Y40 HydrophobicContact CG-CG 4.48Å
25E95.4Very high94.1Very high92 Ų9267 Ų6743%0.4337%0.374SS..  trans-58.4129.2175.8-178.868.2-133.900111.2K27 R36E25-K27 HydrophobicContact CG-CB 4.13Å; E25-K27 WeakPolarHBondContact OE1-CB 3.47Å; E25-K27 VanDerWaalsContact OE1-CD 3.23Å; E25-K27 WeakPolarHBondContact OE1-CD 3.17Å; E25-K27 WeakPolarHBondContact OE1-CE 3.46Å; E25-K27 WeakPolarHBondContact OE1-CG 3.32Å; E25-K27 IonicContact OE1-NZ 2.7Å; E25-K27 PolarHBondContact OE1-NZ 3.46Å; E25-K27 IonicContact OE2-NZ 3.62Å; E25-R36 PolarHBondContact O-NH1 3.05Å
26T94.6Very high94Very high48 Ų4870.6 Ų70.629%0.29439%0.388SS..  trans-94.81.5-177.260.60000113.9R16 C19 E20 L24R16-T26 WeakPolarHBondContact O-CG2 3.31Å; C19-T26 HydrophobicContact CB-CG2 3.93Å; E20-T26 HydrophobicContact CB-CG2 3.95Å; L24-T26 PolarHBondContact O-N 3.48Å
27K94Very high93.9Very high145 Ų14565.3 Ų65.363%0.6337%0.368SS*.  trans-82.7144.5175.8-65.6-178.1-158.5100.50111.4E25 R36E25-K27 HydrophobicContact CG-CB 4.13Å; E25-K27 WeakPolarHBondContact OE1-CB 3.47Å; E25-K27 VanDerWaalsContact OE1-CD 3.23Å; E25-K27 WeakPolarHBondContact OE1-CD 3.17Å; E25-K27 WeakPolarHBondContact OE1-CE 3.46Å; E25-K27 WeakPolarHBondContact OE1-CG 3.32Å; E25-K27 IonicContact OE1-NZ 2.7Å; E25-K27 PolarHBondContact OE1-NZ 3.46Å; E25-K27 IonicContact OE2-NZ 3.62Å; K27-R36 PolarHBondContact O-NH1 3.31Å
28G93.6Very high93.7Very high37 Ų3761.1 Ų61.138%0.38135%0.349SS..SBendtrans131.8-179.6178.200000113.7D32G28-D32 WeakPolarHBondContact CA-OD2 3.47Å
29N94.4Very high93.7Very high92 Ų9260.7 Ų60.749%0.49236%0.355SS..  trans-79173.6169.771.251.5000110.7G31 D32 L33N29-G31 VanDerWaalsContact C-N 3.27Å; N29-G31 PolarHBondContact O-N 2.72Å; N29-G31 VanDerWaalsContact OD1-CA 3.26Å; N29-G31 WeakPolarHBondContact OD1-CA 3.32Å; N29-G31 PolarHBondContact OD1-N 2.79Å; N29-D32 PolarHBondContact N-OD2 3.48Å; N29-D32 PolarHBondContact ND2-OD1 3.25Å; N29-D32 PolarHBondContact ND2-OD2 3.3Å; N29-D32 PolarHBondContact O-N 2.7Å; N29-D32 VanDerWaalsContact OD1-CG 3.31Å; N29-D32 PolarHBondContact OD1-N 3.26Å; N29-D32 PolarHBondContact OD1-OD1 3.49Å; N29-L33 PolarHBondContact O-N 3.19Å
30K93.6Very high93.5Very high88 Ų8863.8 Ų63.838%0.38337%0.367SS..Hα-helixtrans-57.6-39.5-179.9-168.6-173.6179.2-171.90112.2H8 L10 L12 L15 I34H8-K30 PolarHBondContact O-NZ 2.97Å; H8-K30 VanDerWaalsContact O-NZ 3.08Å; L10-K30 WeakPolarHBondContact O-CE 3.25Å; L10-K30 PolarHBondContact O-NZ 3.18Å; L12-K30 HydrophobicContact CD1-CB 4Å; L12-K30 HydrophobicContact CD1-CG 4.25Å; L15-K30 HydrophobicContact CD1-CD 4.17Å; L15-K30 VanDerWaalsContact CD1-CE 3.45Å; L15-K30 HydrophobicContact CD1-CG 3.53Å; K30-I34 HydrophobicContact CD-CD1 4.43Å; K30-I34 HydrophobicContact CG-CD1 4.05Å; K30-I34 VanDerWaalsContact O-CG1 3.3Å; K30-I34 WeakPolarHBondContact O-CG1 3.3Å; K30-I34 PolarHBondContact O-N 3.4Å; K30-I34 VanDerWaalsContact O-N 3.12Å
31G94.6Very high93.1Very high40 Ų4057.5 Ų57.541%0.41234%0.338SS..Hα-helixtrans-66.8-38.6178.100000112.7N29 L33 I34 A35N29-G31 VanDerWaalsContact C-N 3.27Å; N29-G31 PolarHBondContact O-N 2.72Å; N29-G31 VanDerWaalsContact OD1-CA 3.26Å; N29-G31 WeakPolarHBondContact OD1-CA 3.32Å; N29-G31 PolarHBondContact OD1-N 2.79Å; G31-L33 VanDerWaalsContact C-N 3.33Å; G31-L33 PolarHBondContact O-N 3.35Å; G31-I34 PolarHBondContact O-N 3.02Å; G31-A35 WeakPolarHBondContact O-CB 3.44Å; G31-A35 PolarHBondContact O-N 3.44Å
32D94.8Very high92.7Very high67 Ų6759.9 Ų59.936%0.35833%0.334SS..Hα-helixtrans-64.4-39.5178.5-54.4-23.6000111.5G28 N29 R36G28-D32 WeakPolarHBondContact CA-OD2 3.47Å; N29-D32 PolarHBondContact N-OD2 3.48Å; N29-D32 PolarHBondContact ND2-OD1 3.25Å; N29-D32 PolarHBondContact ND2-OD2 3.3Å; N29-D32 PolarHBondContact O-N 2.7Å; N29-D32 VanDerWaalsContact OD1-CG 3.31Å; N29-D32 PolarHBondContact OD1-N 3.26Å; N29-D32 PolarHBondContact OD1-OD1 3.49Å; D32-R36 VanDerWaalsContact O-CB 3.3Å; D32-R36 WeakPolarHBondContact O-CB 3.36Å; D32-R36 PolarHBondContact O-N 3.08Å
33L95.2Very high92.3Very high0 Ų062 Ų620%035%0.348CS..Hα-helixtrans-66.5-44.9175.8-72151000111.1L12 L15 R16 C19 N29 G31 R36 L37L12-L33 HydrophobicContact CD1-CD1 3.37Å; L15-L33 HydrophobicContact CB-CB 4.18Å; R16-L33 HydrophobicContact CG-CD1 3.84Å; R16-L33 HydrophobicContact CG-CD2 3.9Å; C19-L33 HydrophobicContact CB-CD2 4.14Å; C19-L33 WeakPolarHBondContact SG-CD2 3.41Å; N29-L33 PolarHBondContact O-N 3.19Å; G31-L33 VanDerWaalsContact C-N 3.33Å; G31-L33 PolarHBondContact O-N 3.35Å; L33-R36 PolarHBondContact O-N 2.94Å; L33-L37 WeakPolarHBondContact O-CB 3.23Å; L33-L37 WeakPolarHBondContact O-CG 3.06Å; L33-L37 PolarHBondContact O-N 2.85Å
34I94.4Very high91.5Very high9 Ų962.6 Ų62.65%0.04633%0.331CS..Hα-helixtrans-61.6-50.6176.5-69165.9000110.3L7 L15 K30 G31 R36 L37 Q38L7-I34 HydrophobicContact CB-CG2 4.17Å; L15-I34 HydrophobicContact CD1-CD1 4.02Å; L15-I34 HydrophobicContact CD1-CG1 3.7Å; L15-I34 HydrophobicContact CD2-CG1 3.78Å; L15-I34 HydrophobicContact CG-CG1 4.4Å; K30-I34 HydrophobicContact CD-CD1 4.43Å; K30-I34 HydrophobicContact CG-CD1 4.05Å; K30-I34 VanDerWaalsContact O-CG1 3.3Å; K30-I34 WeakPolarHBondContact O-CG1 3.3Å; K30-I34 PolarHBondContact O-N 3.4Å; K30-I34 VanDerWaalsContact O-N 3.12Å; G31-I34 PolarHBondContact O-N 3.02Å; I34-R36 VanDerWaalsContact C-N 3.26Å; I34-R36 PolarHBondContact O-N 2.9Å; I34-L37 PolarHBondContact O-N 3.09Å; I34-Q38 HydrophobicContact CG2-CG 4.05Å; I34-Q38 WeakPolarHBondContact O-CB 3.2Å; I34-Q38 WeakPolarHBondContact O-CG 3.37Å; I34-Q38 PolarHBondContact O-N 3.16Å
35A94.1Very high90Very high53 Ų5365.2 Ų65.244%0.43834%0.342SS..Hα-helixtrans-59.9-38.3-17900000112G31 Q38 A39G31-A35 WeakPolarHBondContact O-CB 3.44Å; G31-A35 PolarHBondContact O-N 3.44Å; A35-Q38 PolarHBondContact O-N 3.28Å; A35-A39 WeakPolarHBondContact O-CB 3.38Å; A35-A39 PolarHBondContact O-N 3.42Å
36R93.9Very high87.9Confident77 Ų7768.5 Ų68.529%0.29136%0.358SS..Hα-helixtrans-68-42.8176.6-168.4175.9-65.1119.39.4112.2L24 E25 K27 D32 L33 I34 Q38 A39 Y40L24-R36 HydrophobicContact CB-CG 4.24Å; L24-R36 HydrophobicContact CD1-CG 4.28Å; L24-R36 HydrophobicContact CD2-CG 4.1Å; L24-R36 HydrophobicContact CG-CG 4.45Å; E25-R36 PolarHBondContact O-NH1 3.05Å; K27-R36 PolarHBondContact O-NH1 3.31Å; D32-R36 VanDerWaalsContact O-CB 3.3Å; D32-R36 WeakPolarHBondContact O-CB 3.36Å; D32-R36 PolarHBondContact O-N 3.08Å; L33-R36 PolarHBondContact O-N 2.94Å; I34-R36 VanDerWaalsContact C-N 3.26Å; I34-R36 PolarHBondContact O-N 2.9Å; R36-Q38 VanDerWaalsContact C-N 3.35Å; R36-A39 PolarHBondContact O-N 3.06Å; R36-Y40 WeakPolarHBondContact O-CB 3.47Å; R36-Y40 PolarHBondContact O-N 3.47Å
37L92.8Very high85.7Confident0 Ų072.4 Ų72.40%038%0.377CS..Hα-helixtrans-66.1-37.8174.7-75.5166.7000112L7 L15 E18 C19 L24 L33 I34 Y40 L41L7-L37 HydrophobicContact CD1-CB 3.71Å; L7-L37 HydrophobicContact CD2-CB 4.16Å; L7-L37 HydrophobicContact CD2-CD1 4.03Å; L15-L37 HydrophobicContact CB-CD1 4.48Å; L15-L37 HydrophobicContact CD2-CD1 3.73Å; E18-L37 HydrophobicContact CB-CD1 3.98Å; E18-L37 HydrophobicContact CB-CD2 3.92Å; C19-L37 VanDerWaalsContact SG-CG 3.59Å; L24-L37 HydrophobicContact CD1-CD2 3.84Å; L24-L37 HydrophobicContact CD1-CG 4.49Å; L33-L37 WeakPolarHBondContact O-CB 3.23Å; L33-L37 WeakPolarHBondContact O-CG 3.06Å; L33-L37 PolarHBondContact O-N 2.85Å; I34-L37 PolarHBondContact O-N 3.09Å; L37-Y40 PolarHBondContact O-N 3.05Å; L37-L41 WeakPolarHBondContact O-CB 3.49Å; L37-L41 VanDerWaalsContact O-CG 3.31Å; L37-L41 WeakPolarHBondContact O-CG 3.4Å; L37-L41 PolarHBondContact O-N 3.22Å
38Q92.1Very high83.5Confident47 Ų4771 Ų7122%0.2238%0.38CS..Hα-helixtrans-65.2-45.4175.5-73.3179.2-28.700111.8V4 L7 H8 I34 A35 R36 Y40 L41 E42V4-Q38 HydrophobicContact CG1-CG 3.96Å; V4-Q38 PolarHBondContact O-NE2 3.26Å; L7-Q38 HydrophobicContact CD1-CB 4.46Å; L7-Q38 HydrophobicContact CD1-CG 3.49Å; L7-Q38 VanDerWaalsContact CD1-CG 3.49Å; H8-Q38 PolarHBondContact CE1-NE2 3.3Å; I34-Q38 HydrophobicContact CG2-CG 4.05Å; I34-Q38 WeakPolarHBondContact O-CB 3.2Å; I34-Q38 WeakPolarHBondContact O-CG 3.37Å; I34-Q38 PolarHBondContact O-N 3.16Å; A35-Q38 PolarHBondContact O-N 3.28Å; R36-Q38 VanDerWaalsContact C-N 3.35Å; Q38-Y40 VanDerWaalsContact C-N 3.33Å; Q38-Y40 PolarHBondContact O-N 3Å; Q38-L41 PolarHBondContact O-N 3.03Å; Q38-E42 VanDerWaalsContact O-CB 3.32Å; Q38-E42 WeakPolarHBondContact O-CB 3.44Å; Q38-E42 PolarHBondContact O-N 3.08Å
39A91.6Very high81.3Confident50 Ų5076.3 Ų76.341%0.41340%0.4SS..Hα-helixtrans-61.5-42.7176.100000111.6A35 R36 E42 E43A35-A39 WeakPolarHBondContact O-CB 3.38Å; A35-A39 PolarHBondContact O-N 3.42Å; R36-A39 PolarHBondContact O-N 3.06Å; A39-E42 PolarHBondContact O-N 3.24Å; A39-E43 VanDerWaalsContact O-CB 3.28Å; A39-E43 WeakPolarHBondContact O-CB 3.4Å; A39-E43 PolarHBondContact O-N 2.82Å
40Y90.6Very high79.3Confident66 Ų6677.3 Ų77.326%0.25941%0.409SS..Hα-helixtrans-64.6-39.4175.7-177.7-88.3000112.5R22 L24 R36 L37 Q38 H44R22-Y40 HydrophobicContact CB-CD1 4.39Å; R22-Y40 HydrophobicContact CB-CE1 4.04Å; R22-Y40 HydrophobicContact CB-CE2 4.49Å; R22-Y40 HydrophobicContact CG-CD1 4.28Å; R22-Y40 HydrophobicContact CG-CE1 3.85Å; R22-Y40 VanDerWaalsContact NH1-CD1 3.26Å; L24-Y40 HydrophobicContact CD1-CD2 4.14Å; L24-Y40 HydrophobicContact CD1-CG 3.88Å; L24-Y40 HydrophobicContact CD2-CD2 3.86Å; L24-Y40 HydrophobicContact CD2-CG 4.36Å; L24-Y40 HydrophobicContact CG-CD2 4.24Å; L24-Y40 HydrophobicContact CG-CG 4.48Å; R36-Y40 WeakPolarHBondContact O-CB 3.47Å; R36-Y40 PolarHBondContact O-N 3.47Å; L37-Y40 PolarHBondContact O-N 3.05Å; Q38-Y40 VanDerWaalsContact C-N 3.33Å; Q38-Y40 PolarHBondContact O-N 3Å; Y40-H44 AromaticContact CD1-CD2 3.82Å; Y40-H44 AromaticContact CD2-CD2 3.47Å; Y40-H44 VanDerWaalsContact CD2-CD2 3.47Å; Y40-H44 WeakPolarHBondContact CD2-CD2 3.41Å; Y40-H44 AromaticContact CD2-NE2 3.66Å; Y40-H44 AromaticContact CE1-CD2 3.55Å; Y40-H44 AromaticContact CE2-CD2 3.21Å; Y40-H44 WeakPolarHBondContact CE2-CD2 3.34Å; Y40-H44 AromaticContact CE2-NE2 3.22Å; Y40-H44 WeakPolarHBondContact CE2-NE2 3.32Å; Y40-H44 AromaticContact CG-CD2 3.79Å; Y40-H44 AromaticContact CZ-CD2 3.25Å; Y40-H44 AromaticContact CZ-NE2 3.64Å; Y40-H44 VanDerWaalsContact O-CB 3.31Å; Y40-H44 WeakPolarHBondContact O-CB 3.41Å; Y40-H44 PolarHBondContact O-CD2 2.99Å; Y40-H44 VanDerWaalsContact O-CD2 3.25Å; Y40-H44 PolarHBondContact O-N 3.3Å; Y40-H44 VanDerWaalsContact O-N 3.08Å
41L86.8Confident77.1Confident11 Ų1179.4 Ų79.46%0.05843%0.425CS..Hα-helixtrans-70-38.3175.4-77.1172.2000111.8E3 L7 R22 L37 Q38 H44 E45E3-L41 HydrophobicContact CB-CD1 4.38Å; L7-L41 HydrophobicContact CD1-CD1 3.88Å; L7-L41 HydrophobicContact CG-CD1 4.45Å; R22-L41 VanDerWaalsContact NH1-CD2 3.28Å; L37-L41 WeakPolarHBondContact O-CB 3.49Å; L37-L41 VanDerWaalsContact O-CG 3.31Å; L37-L41 WeakPolarHBondContact O-CG 3.4Å; L37-L41 PolarHBondContact O-N 3.22Å; Q38-L41 PolarHBondContact O-N 3.03Å; L41-H44 PolarHBondContact O-N 3.12Å; L41-E45 WeakPolarHBondContact O-CA 3.3Å; L41-E45 WeakPolarHBondContact O-CB 3.11Å; L41-E45 WeakPolarHBondContact O-CG 3.5Å; L41-E45 PolarHBondContact O-N 3.45Å
42E84.8Confident75Confident139 Ų13984.5 Ų84.565%0.6544%0.442SS*.Hα-helixtrans-68.2-42.3177.6-172167.7-122.600111.2Q38 A39 H44Q38-E42 VanDerWaalsContact O-CB 3.32Å; Q38-E42 WeakPolarHBondContact O-CB 3.44Å; Q38-E42 PolarHBondContact O-N 3.08Å; A39-E42 PolarHBondContact O-N 3.24Å; E42-H44 VanDerWaalsContact C-N 3.33Å; E42-H44 PolarHBondContact O-N 3.27Å
43E83.1Confident73Confident132 Ų13287.6 Ų87.662%0.61746%0.463SS*.Hα-helixtrans-67.4-29.9176.2-174.7174.7179.400112.9A39A39-E43 VanDerWaalsContact O-CB 3.28Å; A39-E43 WeakPolarHBondContact O-CB 3.4Å; A39-E43 PolarHBondContact O-N 2.82Å
44H75.1Confident70.9Confident85 Ų8594.9 Ų94.939%0.39450%0.502SS..Hα-helixtrans-109.8-1.9-178.4-63.5-47.6000115.1Y40 L41 E42 E46Y40-H44 AromaticContact CD1-CD2 3.82Å; Y40-H44 AromaticContact CD2-CD2 3.47Å; Y40-H44 VanDerWaalsContact CD2-CD2 3.47Å; Y40-H44 WeakPolarHBondContact CD2-CD2 3.41Å; Y40-H44 AromaticContact CD2-NE2 3.66Å; Y40-H44 AromaticContact CE1-CD2 3.55Å; Y40-H44 AromaticContact CE2-CD2 3.21Å; Y40-H44 WeakPolarHBondContact CE2-CD2 3.34Å; Y40-H44 AromaticContact CE2-NE2 3.22Å; Y40-H44 WeakPolarHBondContact CE2-NE2 3.32Å; Y40-H44 AromaticContact CG-CD2 3.79Å; Y40-H44 AromaticContact CZ-CD2 3.25Å; Y40-H44 AromaticContact CZ-NE2 3.64Å; Y40-H44 VanDerWaalsContact O-CB 3.31Å; Y40-H44 WeakPolarHBondContact O-CB 3.41Å; Y40-H44 PolarHBondContact O-CD2 2.99Å; Y40-H44 VanDerWaalsContact O-CD2 3.25Å; Y40-H44 PolarHBondContact O-N 3.3Å; Y40-H44 VanDerWaalsContact O-N 3.08Å; L41-H44 PolarHBondContact O-N 3.12Å; E42-H44 VanDerWaalsContact C-N 3.33Å; E42-H44 PolarHBondContact O-N 3.27Å; H44-E46 VanDerWaalsContact C-N 3.29Å
45E61.7Low68.9Low91 Ų9198.2 Ų98.243%0.42553%0.53SS..Hα-helixtrans-77.3-16.6167.8-88.9-175.1172.400110.6M1 L41M1-E45 PolarHBondContact N-OE1 3.24Å; M1-E45 PolarHBondContact N-OE2 3.19Å; L41-E45 WeakPolarHBondContact O-CA 3.3Å; L41-E45 WeakPolarHBondContact O-CB 3.11Å; L41-E45 WeakPolarHBondContact O-CG 3.5Å; L41-E45 PolarHBondContact O-N 3.45Å
46E49.8Very low66.7Low162 Ų162103.4 Ų103.476%0.75755%0.551SS**SBendtrans-89.3-14.5-177.6-72.6-171.1162.800115.2H44H44-E46 VanDerWaalsContact C-N 3.29Å
47D48.7Very low64.5Low130 Ų130107.3 Ų107.370%0.69558%0.577SS**  trans-10528.7-169.9-75.8-28.3000115.6
48V48Very low62.6Low114 Ų114111.7 Ų111.769%0.69161%0.608SS**  trans-113.960167.7-156.50000110.6V50V48-V50 HydrophobicContact CG1-CG2 4.33Å; V48-V50 WeakPolarHBondContact O-CG2 3.44Å; V48-V50 PolarHBondContact O-N 3.31Å
49D47.7Very low60.1Low149 Ų149116.3 Ų116.380%0.79764%0.639SS**  trans-67.4106.9154.2-108.1-33000107.5D51D49-D51 PolarHBondContact O-N 3.1Å
50V51.8Low58.1Low113 Ų113120.6 Ų120.669%0.68566%0.655SS**THydrogen-bonded Turntrans-71.211.4-173.8-159.30000112.3V48V48-V50 HydrophobicContact CG1-CG2 4.33Å; V48-V50 WeakPolarHBondContact O-CG2 3.44Å; V48-V50 PolarHBondContact O-N 3.31Å
51D48.7Very low55.5Low133 Ų133127.3 Ų127.371%0.71169%0.686SS**THydrogen-bonded Turntrans-100.4-10.5-168.4-135.922.9000114.5D49D49-D51 PolarHBondContact O-N 3.1Å
52D50.4Low53.2Low146 Ų146129.8 Ų129.878%0.78171%0.714SS**SBendtrans-95.93179.8-147.729.5000114.1
53V51.4Low51.2Low133 Ų133132.3 Ų132.381%0.80672%0.723SS**SBendtrans-96-4.2176.9-178.10000112.5
54L51.3Low49Very low153 Ų153132.7 Ų132.780%0.80173%0.734SS**SBendtrans-114.65.1-177.2-78.5174.8000115.5
55A51.9Low47.6Very low79 Ų79137 Ų13765%0.65375%0.754SS**SBendtrans-108.6-4.3-175.400000116.2
56D49.5Very low46.5Very low162 Ų162137.9 Ų137.987%0.86677%0.77SS**  trans-121.748.6177.9-15649.5000112.7
57D47.6Very low46.1Very low158 Ų158134.9 Ų134.985%0.84577%0.768SS**  trans-98.5109.1148.4-172.545000107.6
58S51.6Low45.4Very low93 Ų93135.5 Ų135.565%0.6577%0.771SS**  15181.6128.8-155.20000112.4
59V40.6Very low45Very low143 Ų143135.3 Ų135.387%0.86777%0.77SS**  trans-144.295.9138.5-79.90000110.6
60D49.3Very low44.5Very low141 Ų141135.7 Ų135.775%0.75477%0.77SS**  trans-37.6125.4152173.436.2000112.4
61F36.7Very low44.1Very low207 Ų207139.6 Ų139.691%0.90878%0.778SS**  trans-165.8112.4137.6-113.2-79.4000111.2
62G36.7Very low43.4Very low62 Ų62139.3 Ų139.364%0.63978%0.781SS**  trans98.769.5136.100000118.9
63K43.2Very low42.7Very low192 Ų192139.1 Ų139.184%0.83578%0.78SS**  7.8119.8125.6178.7157.6179.3171.50116.6
64V37.6Very low42.2Very low141 Ų141139.1 Ų139.186%0.85578%0.775SS**  -167.1131.9114.1-91.30000110.9
65E45.8Very low41.3Very low175 Ų175135.8 Ų135.882%0.81878%0.778SS**  trans-67.1157.2171.1-52.7-168.1136.500111.8
66S38.8Very low40.7Very low109 Ų109136.7 Ų136.776%0.76278%0.78SS**  167.9133112.7-88.10000112.4
67S40.8Very low40.1Very low100 Ų100137.7 Ų137.770%0.69978%0.779SS**  trans-33.9144.8154.147.10000115.4
68D34.8Very low39.9Very low142 Ų142135.8 Ų135.876%0.75977%0.773SS**  172.9172.4102.2-129.9-52.4000112.6
69T39Very low39.2Very low111 Ų111138.5 Ų138.568%0.68178%0.779SS**  trans-75.6-176.9-166.747.60000118.2
70I37.3Very low39.3Very low157 Ų157140.1 Ų140.181%0.80578%0.777SS**  trans105116.5157.7-52.8155.6000114
71K42.5Very low38.7Very low194 Ų194139.3 Ų139.384%0.84378%0.782SS**  cis72.8119.641.8-97.2-165.1-172.6-1780117
72V35.3Very low38.9Very low128 Ų128137.9 Ų137.978%0.77678%0.778SS**  trans88.8124.5156.6-167.30000118.7
73D35.4Very low40.2Very low142 Ų142139.4 Ų139.476%0.75978%0.777SS**  166.9117.5114.1-156.1-129.9000108.7
74N39.8Very low40.5Very low132 Ų132135.7 Ų135.771%0.70677%0.773SS**  64.49856.1-167.777.3000115.3
75G33.5Very low40.5Very low84 Ų84134.1 Ų134.187%0.86677%0.774SS**  trans-145.286.4171.500000111.9
76S39.4Very low41Very low97 Ų97134 Ų13468%0.67877%0.774SS**  trans-89.7133.5169.6165.70000109.3
77E37.5Very low41.6Very low184 Ų184137.8 Ų137.886%0.8678%0.777SS**  trans-145.6123.7155.6-129.7177.4-169.200111.6
78V42Very low42.1Very low118 Ų118142.3 Ų142.372%0.71578%0.784SS**  trans-106.9129.9177.6168.20000106.4
79I37.4Very low42.6Very low150 Ų150142.2 Ų142.277%0.76979%0.788SS**  trans-143.3122.3155.1-79.2133.5000108.6
80E43.3Very low43.3Very low176 Ų176142.4 Ų142.482%0.82279%0.788SS**  trans-76.5150170-71.4177.613000112.4
81S35.8Very low44.4Very low124 Ų124144.6 Ų144.687%0.86779%0.792SS**  177.6125127.938.20000112.1
82E40.5Very low45.5Very low178 Ų178142.2 Ų142.283%0.83279%0.787SS**  trans-96.7-178.8165.9-131.6-140.5156.500109.3
83P63.9Low47Very low94 Ų94140.4 Ų140.461%0.6178%0.78SS**  cis-134.9-146.1-15.545.9-28.5000110.6
84P51Low48.8Very low114 Ų114138.5 Ų138.574%0.7478%0.775SS**  cis-132.8158.1-21.236.7-19.2000114.7
85A37.8Very low50.2Low108 Ų108137.6 Ų137.689%0.89378%0.777SS**  trans-158.4126153.400000113.6
86E54.9Low51.9Low172 Ų172137.1 Ų137.180%0.80475%0.754SS**  trans-68.6148.6-178.2-54.6168.4167.100113.8
87K52Low53.7Low189 Ų189135.5 Ų135.582%0.82274%0.743SS**  161.9142.4123.2-81.1153.8-159.8179.20114.7
88K50Low55.6Low195 Ų195130.9 Ų130.985%0.84874%0.736SS**  trans90.181.8162.5-52.3-166.3-174.8177.10117.9V90K88-V90 PolarHBondContact O-N 3.39Å; K88-V90 VanDerWaalsContact O-N 3.11Å
89V45.7Very low57.3Low140 Ų140128.7 Ų128.785%0.84873%0.726SS**  trans-60.7103.7158.2177.90000109.6
90V55.1Low59.5Low114 Ų114124.6 Ų124.669%0.69170%0.704SS**  trans-73.8122160.2175.10000106.7K88 I92K88-V90 PolarHBondContact O-N 3.39Å; K88-V90 VanDerWaalsContact O-N 3.11Å; V90-I92 VanDerWaalsContact C-N 3.26Å; V90-I92 HydrophobicContact CG1-CG1 4.31Å; V90-I92 PolarHBondContact O-N 3.08Å
91K59.8Low61.4Low204 Ų204124.4 Ų124.489%0.88770%0.695SS**  trans-65.686.7172.2-79.2160.6179.2160.90109S93K91-S93 PolarHBondContact O-N 2.86Å
92I64.8Low63.6Low144 Ų144124.1 Ų124.174%0.73868%0.683SS**  trans-73.6110.4169.5-59.5173.2000106V90V90-I92 VanDerWaalsContact C-N 3.26Å; V90-I92 HydrophobicContact CG1-CG1 4.31Å; V90-I92 PolarHBondContact O-N 3.08Å
93S67.9Low65.5Low90 Ų90121.2 Ų121.263%0.62967%0.67SS**PPolyproline II helixtrans-50.8132.6165.6177.80000108.3K91K91-S93 PolarHBondContact O-N 2.86Å
94P73.6Confident66.5Low101 Ų101121.1 Ų121.166%0.65666%0.66SS**PPolyproline II helixtrans-53.8138.4-176.121.7-32.6000109.8L96P94-L96 PolarHBondContact O-N 3.29Å
95P68.8Low68.2Low114 Ų114123.8 Ų123.874%0.7466%0.655SS**PPolyproline II helixtrans-57.4117.4179.524.1-32.7000108.6S97P95-S97 PolarHBondContact O-N 3.15Å
96L69.1Low70.2Confident73 Ų73119.8 Ų119.838%0.38262%0.622SS.*PPolyproline II helixtrans-49.2131.8176.6-53.5179.7000108.6P94 E100 R101P94-L96 PolarHBondContact O-N 3.29Å; L96-E100 HydrophobicContact CB-CB 4.43Å; L96-E100 WeakPolarHBondContact CD2-OE2 3.46Å; L96-R101 HydrophobicContact CB-CG 4.41Å
97S77.8Confident71.4Confident64 Ų64118.1 Ų118.145%0.44861%0.614SS.*PPolyproline II helixtrans-60.1154.9-177.464.90000110.4P95 S99 E100 R101P95-S97 PolarHBondContact O-N 3.15Å; S97-S99 PolarHBondContact O-N 3.41Å; S97-S99 VanDerWaalsContact O-N 3.08Å; S97-S99 PolarHBondContact OG-OG 3.25Å; S97-E100 PolarHBondContact O-N 3.1Å; S97-R101 PolarHBondContact O-N 2.93Å
98A77.3Confident72.9Confident87 Ų87118.7 Ų118.772%0.71961%0.611SS**Hα-helixtrans-55.9-29.8-177.900000112.8L102A98-L102 WeakPolarHBondContact O-CB 3.46Å; A98-L102 PolarHBondContact O-N 2.84Å; A98-L102 VanDerWaalsContact O-N 3.15Å
99S77.2Confident74.2Confident72 Ų72116.1 Ų116.150%0.50360%0.6SS.*Hα-helixtrans-67.1-41.4176.454.90000112.6S97 L102 Q103S97-S99 PolarHBondContact O-N 3.41Å; S97-S99 VanDerWaalsContact O-N 3.08Å; S97-S99 PolarHBondContact OG-OG 3.25Å; S99-L102 WeakPolarHBondContact O-CB 3.39Å; S99-L102 PolarHBondContact O-N 2.81Å; S99-Q103 WeakPolarHBondContact O-CG 3.26Å; S99-Q103 PolarHBondContact O-N 3Å
100E82.6Confident75.4Confident63 Ų63116.4 Ų116.429%0.29460%0.598SS.*Hα-helixtrans-72-37.6-178.9-160.9-170.9156.100111.6L96 S97 L102 Q103 K104L96-E100 HydrophobicContact CB-CB 4.43Å; L96-E100 WeakPolarHBondContact CD2-OE2 3.46Å; S97-E100 PolarHBondContact O-N 3.1Å; E100-L102 VanDerWaalsContact C-N 3.27Å; E100-L102 PolarHBondContact O-N 2.97Å; E100-Q103 PolarHBondContact O-N 2.82Å; E100-K104 PolarHBondContact O-N 3.26Å
101R84.8Confident75.6Confident173 Ų173114 Ų11465%0.65358%0.58SS**Hα-helixtrans-61.4-37.7171.7-79.4177.9146.4169.2-4.4112.1L96 S97 R105L96-R101 HydrophobicContact CB-CG 4.41Å; S97-R101 PolarHBondContact O-N 2.93Å; R101-R105 WeakPolarHBondContact O-CB 3.45Å; R101-R105 PolarHBondContact O-N 2.94Å; R101-R105 VanDerWaalsContact O-N 3.1Å
102L81.9Confident75.6Confident117 Ų117107.8 Ų107.861%0.61356%0.561SS**Hα-helixtrans-68.2-41.6175.8-176.461.9000111.5A98 S99 E100 R105 A106A98-L102 WeakPolarHBondContact O-CB 3.46Å; A98-L102 PolarHBondContact O-N 2.84Å; A98-L102 VanDerWaalsContact O-N 3.15Å; S99-L102 WeakPolarHBondContact O-CB 3.39Å; S99-L102 PolarHBondContact O-N 2.81Å; E100-L102 VanDerWaalsContact C-N 3.27Å; E100-L102 PolarHBondContact O-N 2.97Å; L102-R105 PolarHBondContact O-N 3Å; L102-A106 PolarHBondContact O-N 2.95Å
103Q80.3Confident75.3Confident117 Ų117105.6 Ų105.655%0.54756%0.564SS.*Hα-helixtrans-60.9-50.4175.1-74.7170.6-10.600111.6S99 E100 R105 A106 E107S99-Q103 WeakPolarHBondContact O-CG 3.26Å; S99-Q103 PolarHBondContact O-N 3Å; E100-Q103 PolarHBondContact O-N 2.82Å; Q103-R105 VanDerWaalsContact C-N 3.25Å; Q103-R105 PolarHBondContact O-N 2.92Å; Q103-A106 WeakPolarHBondContact O-CA 3.14Å; Q103-A106 WeakPolarHBondContact O-CB 3.36Å; Q103-A106 PolarHBondContact O-N 2.87Å; Q103-E107 WeakPolarHBondContact O-CG 3.43Å; Q103-E107 PolarHBondContact O-N 3.13Å
104K85.2Confident75.1Confident93 Ų93104.2 Ų104.240%0.40456%0.555SS.*Hα-helixtrans-63.7-29.9177.6-66.5-157.4-178.3-177.80113.2E100 R108E100-K104 PolarHBondContact O-N 3.26Å; K104-R108 VanDerWaalsContact O-CB 3.29Å; K104-R108 WeakPolarHBondContact O-CB 3.48Å; K104-R108 WeakPolarHBondContact O-CG 3.43Å; K104-R108 PolarHBondContact O-N 3.49Å
105R85.8Confident74.8Confident169 Ų169103.3 Ų103.364%0.63856%0.556SS**Hα-helixtrans-69.8-41171.7-176.3177.5-70.3-171.7-2.4111.2R101 L102 Q103 R108 F109R101-R105 WeakPolarHBondContact O-CB 3.45Å; R101-R105 PolarHBondContact O-N 2.94Å; R101-R105 VanDerWaalsContact O-N 3.1Å; L102-R105 PolarHBondContact O-N 3Å; Q103-R105 VanDerWaalsContact C-N 3.25Å; Q103-R105 PolarHBondContact O-N 2.92Å; R105-R108 PolarHBondContact O-N 3.25Å; R105-F109 HydrophobicContact CG-CD2 4.08Å; R105-F109 HydrophobicContact CG-CE2 4.45Å; R105-F109 WeakPolarHBondContact O-CB 3.41Å; R105-F109 WeakPolarHBondContact O-CD2 3.45Å; R105-F109 PolarHBondContact O-N 3.31Å; R105-F109 VanDerWaalsContact O-N 3.13Å
106A80.6Confident74.9Confident25 Ų25105.4 Ų105.421%0.20756%0.555CS.*Hα-helixtrans-63.1-43.7176.100000111.5L102 Q103 F109 N110 L111L102-A106 PolarHBondContact O-N 2.95Å; Q103-A106 WeakPolarHBondContact O-CA 3.14Å; Q103-A106 WeakPolarHBondContact O-CB 3.36Å; Q103-A106 PolarHBondContact O-N 2.87Å; A106-F109 CarbonylContact O-C 3.57Å; A106-F109 PolarHBondContact O-N 3.14Å; A106-N110 PolarHBondContact O-N 3.36Å; A106-L111 PolarHBondContact O-N 3.03Å
107E79.9Confident74.8Confident136 Ų136103.3 Ų103.364%0.63655%0.547SS*.Hα-helixtrans-63-46.7175.2-70.5172.4178.200112Q103 F109 N110Q103-E107 WeakPolarHBondContact O-CG 3.43Å; Q103-E107 PolarHBondContact O-N 3.13Å; E107-F109 PolarHBondContact O-N 2.87Å; E107-N110 PolarHBondContact O-N 2.97Å
108R83.4Confident74.6Confident201 Ų201104.8 Ų104.876%0.75855%0.545SS*.Hα-helixtrans-61.7-28.6177.7-77.7173.6-175.4-172.21113.6K104 R105K104-R108 VanDerWaalsContact O-CB 3.29Å; K104-R108 WeakPolarHBondContact O-CB 3.48Å; K104-R108 WeakPolarHBondContact O-CG 3.43Å; K104-R108 PolarHBondContact O-N 3.49Å; R105-R108 PolarHBondContact O-N 3.25Å
109F76.3Confident74.6Confident141 Ų141108.4 Ų108.462%0.61855%0.545SS*.THydrogen-bonded Turntrans-107.65.8-175.5-79.7-92.3000113.6R105 A106 E107 L111R105-F109 HydrophobicContact CG-CD2 4.08Å; R105-F109 HydrophobicContact CG-CE2 4.45Å; R105-F109 WeakPolarHBondContact O-CB 3.41Å; R105-F109 WeakPolarHBondContact O-CD2 3.45Å; R105-F109 PolarHBondContact O-N 3.31Å; R105-F109 VanDerWaalsContact O-N 3.13Å; A106-F109 CarbonylContact O-C 3.57Å; A106-F109 PolarHBondContact O-N 3.14Å; E107-F109 PolarHBondContact O-N 2.87Å; F109-L111 HydrophobicContact CB-CD1 3.64Å; F109-L111 HydrophobicContact CB-CG 3.81Å; F109-L111 HydrophobicContact CG-CD1 4.42Å; F109-L111 PolarHBondContact O-N 3.33Å
110N70.6Confident74.3Confident147 Ų147107.1 Ų107.179%0.78654%0.539SS*.THydrogen-bonded Turntrans46.935.5-174.5-60.6-51.4000112.7A106 E107 P112A106-N110 PolarHBondContact O-N 3.36Å; E107-N110 PolarHBondContact O-N 2.97Å; N110-P112 VanDerWaalsContact O-CD 3.26Å; N110-P112 WeakPolarHBondContact O-CD 3.29Å
111L59.7Low73.8Confident63 Ų63109 Ų10933%0.3355%0.551SS.*  trans-89111.7-178-74.8166.7000108.4A106 F109 A113 K118A106-L111 PolarHBondContact O-N 3.03Å; F109-L111 HydrophobicContact CB-CD1 3.64Å; F109-L111 HydrophobicContact CB-CG 3.81Å; F109-L111 HydrophobicContact CG-CD1 4.42Å; F109-L111 PolarHBondContact O-N 3.33Å; L111-A113 PolarHBondContact O-N 3.07Å; L111-K118 HydrophobicContact CD2-CG 4.42Å
112P60.9Low73.7Confident74 Ų74109.3 Ų109.348%0.48155%0.552SS.*  trans-57.9133.6169.721.3-28.4000108.7N110 S114N110-P112 VanDerWaalsContact O-CD 3.26Å; N110-P112 WeakPolarHBondContact O-CD 3.29Å; P112-S114 PolarHBondContact O-N 3.22Å
113A57.1Low73.5Confident98 Ų98104.6 Ų104.681%0.8153%0.53SS*.SBendtrans-69.69.5-169.800000114.5L111L111-A113 PolarHBondContact O-N 3.07Å
114S63.6Low73.1Confident61 Ų61102.6 Ų102.643%0.42753%0.533SS..  trans-90.9128.3175.689.30000111.1P112 E116 S117P112-S114 PolarHBondContact O-N 3.22Å; S114-E116 PolarHBondContact O-N 3.34Å; S114-E116 VanDerWaalsContact O-N 3.16Å; S114-S117 PolarHBondContact O-N 3.04Å; S114-S117 PolarHBondContact O-OG 3.06Å; S114-S117 PolarHBondContact OG-N 3.32Å; S114-S117 PolarHBondContact OG-OG 3.36Å
115A68.8Low72.9Confident82 Ų82108.5 Ų108.568%0.67855%0.553SS**Hα-helixtrans-58.5-26176.600000112.6K118 K119A115-K118 PolarHBondContact O-N 3.44Å; A115-K119 WeakPolarHBondContact O-CB 3.28Å; A115-K119 PolarHBondContact O-N 3.32Å
116E69.8Low72.4Confident157 Ų157108.1 Ų108.173%0.73456%0.556SS**Hα-helixtrans-69.5-42-177.4-167.1144.6-142.700113S114 K118 K119 A120S114-E116 PolarHBondContact O-N 3.34Å; S114-E116 VanDerWaalsContact O-N 3.16Å; E116-K118 PolarHBondContact O-N 3.33Å; E116-K119 PolarHBondContact O-N 3Å; E116-A120 WeakPolarHBondContact O-CB 3.39Å; E116-A120 PolarHBondContact O-N 3.44Å
117S67.9Low72Confident30 Ų30110 Ų11021%0.2158%0.578CS.*Hα-helixtrans-63.9-39175.265.70000112.4S114 K119 A120 L121S114-S117 PolarHBondContact O-N 3.04Å; S114-S117 PolarHBondContact O-OG 3.06Å; S114-S117 PolarHBondContact OG-N 3.32Å; S114-S117 PolarHBondContact OG-OG 3.36Å; S117-K119 VanDerWaalsContact C-N 3.35Å; S117-A120 PolarHBondContact O-N 3.08Å; S117-L121 WeakPolarHBondContact O-CB 3.38Å; S117-L121 WeakPolarHBondContact O-CD1 3.28Å; S117-L121 VanDerWaalsContact O-CG 3.28Å; S117-L121 WeakPolarHBondContact O-CG 3.49Å; S117-L121 PolarHBondContact O-N 3.19Å
118K73.8Confident71.2Confident94 Ų94107.5 Ų107.541%0.40957%0.572SS.*Hα-helixtrans-66.6-37.4175.1-68.7177.9-176.3169.40111.7L111 A115 E116 R122L111-K118 HydrophobicContact CD2-CG 4.42Å; A115-K118 PolarHBondContact O-N 3.44Å; E116-K118 PolarHBondContact O-N 3.33Å; K118-R122 WeakPolarHBondContact O-CB 3.36Å; K118-R122 PolarHBondContact O-N 3.48Å
119K76.4Confident70Confident163 Ų163103.6 Ų103.671%0.70957%0.573SS**Hα-helixtrans-68.2-43.5175.9-168.5178.3179.9-174.80110.9A115 E116 S117 R122 A123A115-K119 WeakPolarHBondContact O-CB 3.28Å; A115-K119 PolarHBondContact O-N 3.32Å; E116-K119 PolarHBondContact O-N 3Å; S117-K119 VanDerWaalsContact C-N 3.35Å; K119-R122 PolarHBondContact O-N 2.88Å; K119-A123 WeakPolarHBondContact O-CB 3.36Å; K119-A123 PolarHBondContact O-N 3.38Å
120A70.4Confident68.8Low46 Ų46101.6 Ų101.638%0.3858%0.576SS.*Hα-helixtrans-64.5-44.117600000112.2E116 S117 R122 A123 A124E116-A120 WeakPolarHBondContact O-CB 3.39Å; E116-A120 PolarHBondContact O-N 3.44Å; S117-A120 PolarHBondContact O-N 3.08Å; A120-R122 VanDerWaalsContact C-N 3.33Å; A120-R122 PolarHBondContact O-N 3.42Å; A120-A123 PolarHBondContact O-N 3.16Å; A120-A124 WeakPolarHBondContact O-CB 3.42Å; A120-A124 PolarHBondContact O-N 2.84Å
121L72.9Confident67.7Low103 Ų103101.7 Ų101.754%0.53958%0.577SS.*Hα-helixtrans-63.2-38.7175.1-76.3164.4000112S117 R125S117-L121 WeakPolarHBondContact O-CB 3.38Å; S117-L121 WeakPolarHBondContact O-CD1 3.28Å; S117-L121 VanDerWaalsContact O-CG 3.28Å; S117-L121 WeakPolarHBondContact O-CG 3.49Å; S117-L121 PolarHBondContact O-N 3.19Å; L121-R125 VanDerWaalsContact O-CG 3.27Å; L121-R125 WeakPolarHBondContact O-CG 3.26Å; L121-R125 PolarHBondContact O-N 2.84Å; L121-R125 VanDerWaalsContact O-N 3.1Å
122R82.1Confident67.4Low179 Ų179104.5 Ų104.568%0.67560%0.602SS**Hα-helixtrans-65.8-47.3173.2-174.7-179.7-68.7-145-0.5110.8K118 K119 A120 A124 R125 F126K118-R122 WeakPolarHBondContact O-CB 3.36Å; K118-R122 PolarHBondContact O-N 3.48Å; K119-R122 PolarHBondContact O-N 2.88Å; A120-R122 VanDerWaalsContact C-N 3.33Å; A120-R122 PolarHBondContact O-N 3.42Å; R122-A124 VanDerWaalsContact C-N 3.29Å; R122-A124 PolarHBondContact O-N 2.85Å; R122-R125 WeakPolarHBondContact O-CB 3.25Å; R122-R125 PolarHBondContact O-N 3.48Å; R122-F126 HydrophobicContact CG-CD2 4.02Å; R122-F126 HydrophobicContact CG-CE2 4.1Å; R122-F126 VanDerWaalsContact O-CD2 3.28Å; R122-F126 WeakPolarHBondContact O-CD2 3.27Å; R122-F126 PolarHBondContact O-N 3.43Å
123A77.3Confident66.5Low18 Ų18106.1 Ų106.115%0.14962%0.615CS.*Hα-helixtrans-57.7-41.5177.300000112K119 A120 R125 F126 G127 T128K119-A123 WeakPolarHBondContact O-CB 3.36Å; K119-A123 PolarHBondContact O-N 3.38Å; A120-A123 PolarHBondContact O-N 3.16Å; A123-R125 VanDerWaalsContact C-N 3.34Å; A123-R125 PolarHBondContact O-N 3.21Å; A123-F126 CarbonylContact O-C 3.37Å; A123-F126 PolarHBondContact O-N 2.8Å; A123-F126 VanDerWaalsContact O-N 3.08Å; A123-G127 PolarHBondContact O-N 3.37Å; A123-T128 WeakPolarHBondContact CB-OG1 3.43Å; A123-T128 PolarHBondContact O-N 3.1Å; A123-T128 VanDerWaalsContact O-N 3.14Å; A123-T128 PolarHBondContact O-OG1 2.9Å
124A72Confident65.9Low75 Ų75106.6 Ų106.662%0.6261%0.612SS**Hα-helixtrans-63.5-37.1174.800000112.6A120 R122 F126 G127A120-A124 WeakPolarHBondContact O-CB 3.42Å; A120-A124 PolarHBondContact O-N 2.84Å; R122-A124 VanDerWaalsContact C-N 3.29Å; R122-A124 PolarHBondContact O-N 2.85Å; A124-F126 PolarHBondContact O-N 3.13Å; A124-G127 PolarHBondContact O-N 3.25Å
125R80.6Confident65Low217 Ų217109.6 Ų109.682%0.81963%0.63SS**Hα-helixtrans-64.7-25.5173.5-70.117294.71538.5113L121 R122 A123L121-R125 VanDerWaalsContact O-CG 3.27Å; L121-R125 WeakPolarHBondContact O-CG 3.26Å; L121-R125 PolarHBondContact O-N 2.84Å; L121-R125 VanDerWaalsContact O-N 3.1Å; R122-R125 WeakPolarHBondContact O-CB 3.25Å; R122-R125 PolarHBondContact O-N 3.48Å; A123-R125 VanDerWaalsContact C-N 3.34Å; A123-R125 PolarHBondContact O-N 3.21Å
126F76.9Confident63.6Low161 Ų161110.2 Ų110.271%0.70663%0.63SS**THydrogen-bonded Turntrans-107.25-179.4-72.3-79.5000113.6R122 A123 A124 T128R122-F126 HydrophobicContact CG-CD2 4.02Å; R122-F126 HydrophobicContact CG-CE2 4.1Å; R122-F126 VanDerWaalsContact O-CD2 3.28Å; R122-F126 WeakPolarHBondContact O-CD2 3.27Å; R122-F126 PolarHBondContact O-N 3.43Å; A123-F126 CarbonylContact O-C 3.37Å; A123-F126 PolarHBondContact O-N 2.8Å; A123-F126 VanDerWaalsContact O-N 3.08Å; A124-F126 PolarHBondContact O-N 3.13Å; F126-T128 VanDerWaalsContact C-N 3.28Å; F126-T128 PolarHBondContact O-N 3.45Å
127G71.6Confident62.5Low65 Ų65109.2 Ų109.267%0.6764%0.637SS**THydrogen-bonded Turntrans67.719.1174.600000115.3A123 A124 P129A123-G127 PolarHBondContact O-N 3.37Å; A124-G127 PolarHBondContact O-N 3.25Å; G127-P129 WeakPolarHBondContact O-CD 3.23Å
128T63.6Low61.5Low82 Ų82111.3 Ų111.350%0.50366%0.663SS.*  trans-89.6116.4177.957.20000109.4A123 F126 S130A123-T128 WeakPolarHBondContact CB-OG1 3.43Å; A123-T128 PolarHBondContact O-N 3.1Å; A123-T128 VanDerWaalsContact O-N 3.14Å; A123-T128 PolarHBondContact O-OG1 2.9Å; F126-T128 VanDerWaalsContact C-N 3.28Å; F126-T128 PolarHBondContact O-N 3.45Å; T128-S130 PolarHBondContact O-N 3.14Å
129P56.6Low59.7Low119 Ų119113.9 Ų113.977%0.77368%0.68SS**  trans-62.412317525.5-31.6000108.7G127 D131G127-P129 WeakPolarHBondContact O-CD 3.23Å; P129-D131 PolarHBondContact O-N 3.32Å
130S53.1Low58.3Low99 Ų99113.3 Ų113.369%0.69269%0.69SS**  trans-7964.1174.471.10000109.5T128T128-S130 PolarHBondContact O-N 3.14Å
131D47Very low56.9Low149 Ų149114.7 Ų114.780%0.79770%0.701SS**  trans-115.8125.5165.9-136.4-17.9000109.2P129 S133P129-D131 PolarHBondContact O-N 3.32Å; D131-S133 PolarHBondContact O-N 2.88Å
132S51.9Low55.8Low122 Ų122117.4 Ų117.485%0.85372%0.716SS**  trans-8287.4-164-530000108.8
133S43.4Very low54.4Low109 Ų109113.9 Ų113.976%0.76272%0.719SS**  trans-136.2110.2162-174.70000108.9D131D131-S133 PolarHBondContact O-N 2.88Å
134S43.8Very low52.9Low107 Ų107122.6 Ų122.675%0.74875%0.754SS**PPolyproline II helixtrans-54.4132.4178.849.70000112.4
135P45.5Very low51.8Low124 Ų124123.4 Ų123.481%0.80576%0.76SS**PPolyproline II helixtrans-85125154.432.7-25.2000108.3
136S38.8Very low50.4Low96 Ų96115.8 Ų115.867%0.67175%0.749SS**PPolyproline II helixtrans-56.8150.1167.744.30000111.2G138S136-G138 PolarHBondContact O-N 3.48Å
137P47.3Very low49.4Very low135 Ų135114.6 Ų114.688%0.87776%0.755SS**SBendtrans-77.4116.2177.130.9-28.8000108.7
138G45.7Very low48.9Very low75 Ų75116 Ų11677%0.77375%0.75SS**  trans137.121.1161.800000119.4S136S136-G138 PolarHBondContact O-N 3.48Å
139I36.2Very low49.5Very low148 Ų148115.7 Ų115.776%0.75975%0.745SS**  trans-129.4109.8169.3-69.8173000110.3A141I139-A141 HydrophobicContact CG2-CB 4.07Å; I139-A141 PolarHBondContact O-N 2.83Å
140V47.3Very low50.5Low151 Ų151114.5 Ų114.592%0.91574%0.736SS**  trans-68.971.3167.5-73.50000109.8N142V140-N142 PolarHBondContact O-N 2.63Å; V140-N142 VanDerWaalsContact O-N 3.14Å
141A40.3Very low51.7Low75 Ų75114.4 Ų114.462%0.6273%0.728SS**  trans-81.492.4172.800000109.6I139 S143I139-A141 HydrophobicContact CG2-CB 4.07Å; I139-A141 PolarHBondContact O-N 2.83Å; A141-S143 PolarHBondContact O-N 2.79Å
142N50.9Low53.4Low160 Ų160111.2 Ų111.286%0.85671%0.713SS**  trans-62.963.3160.8-179.645.5000111V140V140-N142 PolarHBondContact O-N 2.63Å; V140-N142 VanDerWaalsContact O-N 3.14Å
143S52.7Low54.7Low104 Ų104106.4 Ų106.473%0.72768%0.678SS**  trans-167.475.6177.7-76.90000111.5A141A141-S143 PolarHBondContact O-N 2.79Å
144K45.1Very low56.6Low202 Ų202107.3 Ų107.388%0.87867%0.668SS**  trans-172.9107.4131.9-123.4149.4176.7165.30108.1G146K144-G146 PolarHBondContact O-N 3.22Å
145A49.9Very low58.6Low91 Ų91108.9 Ų108.975%0.75266%0.661SS**  trans-48.797.9154.300000107.2V147A145-V147 PolarHBondContact O-N 3.03Å
146G51.2Low60.3Low58 Ų58108.8 Ų108.860%0.59865%0.645SS**  trans-53.2117.2160.300000104.3K144 V148K144-G146 PolarHBondContact O-N 3.22Å; G146-V148 VanDerWaalsContact O-CG2 3.23Å; G146-V148 WeakPolarHBondContact O-CG2 3.37Å; G146-V148 PolarHBondContact O-N 2.93Å
147V56.4Low62.5Low135 Ų135105 Ų10582%0.81862%0.619SS**  trans-41.688.7-171.2176.10000109.5A145 N149A145-V147 PolarHBondContact O-N 3.03Å; V147-N149 PolarHBondContact O-N 3.25Å
148V60.9Low64.2Low94 Ų94104.7 Ų104.757%0.5761%0.606SS**  trans-74.296.3175.5-178.20000102.5G146 V150 L153G146-V148 VanDerWaalsContact O-CG2 3.23Å; G146-V148 WeakPolarHBondContact O-CG2 3.37Å; G146-V148 PolarHBondContact O-N 2.93Å; V148-V150 PolarHBondContact O-N 3.09Å; V148-L153 HydrophobicContact CG1-CD1 3.49Å; V148-L153 VanDerWaalsContact CG1-CD1 3.49Å; V148-L153 HydrophobicContact CG1-CD2 4.15Å; V148-L153 HydrophobicContact CG1-CG 4.47Å
149N74.7Confident66.1Low76 Ų76111.7 Ų111.741%0.40661%0.609SS.*  trans-55.1118.2-170.1-176.6-53.4000109V147 D151 V152 L153V147-N149 PolarHBondContact O-N 3.25Å; N149-D151 PolarHBondContact O-N 2.87Å; N149-D151 VanDerWaalsContact O-N 3.11Å; N149-D151 WeakPolarHBondContact OD1-CB 3.48Å; N149-D151 PolarHBondContact OD1-N 3.02Å; N149-D151 PolarHBondContact OD1-OD2 3.21Å; N149-V152 HydrophobicContact CB-CG2 4.1Å; N149-V152 WeakPolarHBondContact O-CB 3.35Å; N149-V152 PolarHBondContact O-N 3.03Å; N149-L153 PolarHBondContact O-N 3.34Å
150V77.8Confident68.2Low94 Ų94111.3 Ų111.357%0.5760%0.602SS**Hα-helixtrans-56.1-30.9-174.5175.90000111.1V148 V152 L153 K154V148-V150 PolarHBondContact O-N 3.09Å; V150-V152 PolarHBondContact O-N 3Å; V150-L153 WeakPolarHBondContact O-CB 3.49Å; V150-L153 PolarHBondContact O-N 2.89Å; V150-K154 WeakPolarHBondContact O-CB 3.49Å; V150-K154 PolarHBondContact O-N 3.11Å
151D78.6Confident69.6Low98 Ų98107.3 Ų107.352%0.52459%0.591SS.*Hα-helixtrans-69-33.4178.5-55.6-39.8000112.4N149 L153 K154 K155N149-D151 PolarHBondContact O-N 2.87Å; N149-D151 VanDerWaalsContact O-N 3.11Å; N149-D151 WeakPolarHBondContact OD1-CB 3.48Å; N149-D151 PolarHBondContact OD1-N 3.02Å; N149-D151 PolarHBondContact OD1-OD2 3.21Å; D151-L153 VanDerWaalsContact C-N 3.35Å; D151-K154 PolarHBondContact O-N 2.91Å; D151-K155 WeakPolarHBondContact O-CB 3.32Å; D151-K155 VanDerWaalsContact O-CG 3.3Å; D151-K155 WeakPolarHBondContact O-CG 3.38Å; D151-K155 PolarHBondContact O-N 3.3Å
152V82.9Confident71Confident82 Ų82110.4 Ų110.450%0.49760%0.595SS.*Hα-helixtrans-68.9-39.2175178.50000110.2N149 V150 R156N149-V152 HydrophobicContact CB-CG2 4.1Å; N149-V152 WeakPolarHBondContact O-CB 3.35Å; N149-V152 PolarHBondContact O-N 3.03Å; V150-V152 PolarHBondContact O-N 3Å; V152-R156 VanDerWaalsContact O-CB 3.32Å; V152-R156 WeakPolarHBondContact O-CB 3.37Å; V152-R156 PolarHBondContact O-N 3.38Å
153L79.9Confident72.1Confident20 Ų20105.3 Ų105.311%0.10557%0.568CS.*Hα-helixtrans-66-40.3175-106.253.1000111.7V148 N149 V150 D151 R156 A157 S165V148-L153 HydrophobicContact CG1-CD1 3.49Å; V148-L153 VanDerWaalsContact CG1-CD1 3.49Å; V148-L153 HydrophobicContact CG1-CD2 4.15Å; V148-L153 HydrophobicContact CG1-CG 4.47Å; N149-L153 PolarHBondContact O-N 3.34Å; V150-L153 WeakPolarHBondContact O-CB 3.49Å; V150-L153 PolarHBondContact O-N 2.89Å; D151-L153 VanDerWaalsContact C-N 3.35Å; L153-R156 PolarHBondContact O-N 2.95Å; L153-A157 PolarHBondContact O-N 2.98Å; L153-S165 VanDerWaalsContact CD2-OG 3.24Å; L153-S165 WeakPolarHBondContact CD2-OG 3.24Å
154K81.9Confident72.7Confident128 Ų128104.2 Ų104.256%0.55756%0.556SS**Hα-helixtrans-65-48.4175.4-170.4174.4179.9178.90111.9V150 D151 R156 A157 E158V150-K154 WeakPolarHBondContact O-CB 3.49Å; V150-K154 PolarHBondContact O-N 3.11Å; D151-K154 PolarHBondContact O-N 2.91Å; K154-R156 VanDerWaalsContact C-N 3.25Å; K154-R156 PolarHBondContact O-N 2.87Å; K154-A157 PolarHBondContact O-N 3.19Å; K154-A157 VanDerWaalsContact O-N 3.11Å; K154-E158 WeakPolarHBondContact CE-OE1 3.19Å; K154-E158 WeakPolarHBondContact O-CG 3.33Å; K154-E158 PolarHBondContact O-N 3.45Å
155K86.1Confident74.1Confident141 Ų14195.7 Ų95.761%0.61352%0.522SS*.Hα-helixtrans-61-33.5175.3-74.9178.6179.5178.70112.8D151 R159D151-K155 WeakPolarHBondContact O-CB 3.32Å; D151-K155 VanDerWaalsContact O-CG 3.3Å; D151-K155 WeakPolarHBondContact O-CG 3.38Å; D151-K155 PolarHBondContact O-N 3.3Å; K155-R159 WeakPolarHBondContact O-CB 3.49Å; K155-R159 PolarHBondContact O-N 3.11Å
156R81.8Confident75.4Confident122 Ų12295 Ų9546%0.4651%0.512SS..Hα-helixtrans-68.1-47.9173.1-168-175.2-72179-4.1110.4V152 L153 K154 E158 R159 F160 V164V152-R156 VanDerWaalsContact O-CB 3.32Å; V152-R156 WeakPolarHBondContact O-CB 3.37Å; V152-R156 PolarHBondContact O-N 3.38Å; L153-R156 PolarHBondContact O-N 2.95Å; K154-R156 VanDerWaalsContact C-N 3.25Å; K154-R156 PolarHBondContact O-N 2.87Å; R156-E158 VanDerWaalsContact C-N 3.27Å; R156-E158 PolarHBondContact O-N 2.91Å; R156-R159 PolarHBondContact O-N 3.25Å; R156-F160 HydrophobicContact CG-CD2 3.68Å; R156-F160 HydrophobicContact CG-CE2 3.87Å; R156-F160 VanDerWaalsContact O-CD2 3.25Å; R156-F160 WeakPolarHBondContact O-CD2 3.44Å; R156-F160 PolarHBondContact O-N 2.88Å; R156-V164 HydrophobicContact CB-CG2 4.3Å; R156-V164 HydrophobicContact CG-CG2 3.58Å
157A84.3Confident76.6Confident15 Ų1596.2 Ų96.212%0.12451%0.508CS..Hα-helixtrans-58.6-40.2176.900000112.1L153 K154 G161 M162L153-A157 PolarHBondContact O-N 2.98Å; K154-A157 PolarHBondContact O-N 3.19Å; K154-A157 VanDerWaalsContact O-N 3.11Å; A157-G161 CarbonylContact O-C 3.59Å; A157-G161 WeakPolarHBondContact O-CA 3.43Å; A157-G161 PolarHBondContact O-N 3.44Å; A157-M162 WeakPolarHBondContact CA-O 3.39Å; A157-M162 PolarHBondContact O-N 3.34Å
158E83.4Confident77.3Confident129 Ų12990.6 Ų90.660%0.60347%0.474SS*.Hα-helixtrans-65.8-41.8175.7-72.1169.4-175.800112.7K154 R156K154-E158 WeakPolarHBondContact CE-OE1 3.19Å; K154-E158 WeakPolarHBondContact O-CG 3.33Å; K154-E158 PolarHBondContact O-N 3.45Å; R156-E158 VanDerWaalsContact C-N 3.27Å; R156-E158 PolarHBondContact O-N 2.91Å
159R85.4Confident78.1Confident223 Ų22390.4 Ų90.484%0.84247%0.467SS*.Hα-helixtrans-67.1-36.4177.5-85.5-179.175.9140.20.5113.6K155 R156K155-R159 WeakPolarHBondContact O-CB 3.49Å; K155-R159 PolarHBondContact O-N 3.11Å; R156-R159 PolarHBondContact O-N 3.25Å
160F80.6Confident78.4Confident139 Ų13993 Ų9361%0.6148%0.475SS*.Hα-helixtrans-97-4.6-175.9-71.1-82.6000112.6R156 M162R156-F160 HydrophobicContact CG-CD2 3.68Å; R156-F160 HydrophobicContact CG-CE2 3.87Å; R156-F160 VanDerWaalsContact O-CD2 3.25Å; R156-F160 WeakPolarHBondContact O-CD2 3.44Å; R156-F160 PolarHBondContact O-N 2.88Å; F160-M162 PolarHBondContact O-N 3.27Å; F160-M162 VanDerWaalsContact O-N 3.09Å
161G76.7Confident78.4Confident67 Ų6792.4 Ų92.469%0.69147%0.467SS*.THydrogen-bonded Turntrans63.79.5-17700000114.2A157A157-G161 CarbonylContact O-C 3.59Å; A157-G161 WeakPolarHBondContact O-CA 3.43Å; A157-G161 PolarHBondContact O-N 3.44Å
162M70.6Confident78.5Confident140 Ų14091.3 Ų91.369%0.6946%0.464SS*.SBendtrans-146.5137.7-171.2-61.8-176.575.600110.7A157 F160 V164A157-M162 WeakPolarHBondContact CA-O 3.39Å; A157-M162 PolarHBondContact O-N 3.34Å; F160-M162 PolarHBondContact O-N 3.27Å; F160-M162 VanDerWaalsContact O-N 3.09Å; M162-V164 PolarHBondContact O-N 2.95Å
163N72.8Confident78.4Confident54 Ų5493.2 Ų93.229%0.28947%0.468SS..  trans-69.2100.8174.8-80.727.4000110S168 Q169 V172N163-S168 VanDerWaalsContact ND2-C 3.31Å; N163-S168 PolarHBondContact ND2-O 3.33Å; N163-Q169 HydrophobicContact CB-CG 3.75Å; N163-Q169 PolarHBondContact O-NE2 3.48Å; N163-Q169 VanDerWaalsContact O-NE2 3.13Å; N163-V172 WeakPolarHBondContact ND2-CG2 3.26Å
164V66.7Low78.4Confident81 Ų8197.2 Ų97.249%0.49149%0.489SS..  trans-87.3-1.3-176-81.20000114.8R156 M162R156-V164 HydrophobicContact CB-CG2 4.3Å; R156-V164 HydrophobicContact CG-CG2 3.58Å; M162-V164 PolarHBondContact O-N 2.95Å
165S73.6Confident78.5Confident23 Ų2396.1 Ų96.116%0.16149%0.486CS..SBendtrans-123.9139.8176.488.70000111.4L153 V167 S168 Q169L153-S165 VanDerWaalsContact CD2-OG 3.24Å; L153-S165 WeakPolarHBondContact CD2-OG 3.24Å; S165-V167 PolarHBondContact O-N 3.48Å; S165-S168 PolarHBondContact O-N 3.4Å; S165-S168 VanDerWaalsContact O-N 3.11Å; S165-S168 WeakPolarHBondContact OG-CB 3.3Å; S165-S168 PolarHBondContact OG-N 3.15Å; S165-S168 PolarHBondContact OG-OG 3.2Å; S165-Q169 WeakPolarHBondContact O-CG 3.35Å; S165-Q169 PolarHBondContact O-N 3.05Å
166S77.6Confident78.5Confident76 Ų7696.9 Ų96.953%0.53149%0.489SS..Hα-helixtrans-59.5-29.8176.356.30000112.5K170S166-K170 VanDerWaalsContact O-CG 3.26Å; S166-K170 WeakPolarHBondContact O-CG 3.44Å; S166-K170 PolarHBondContact O-N 2.94Å
167V75.6Confident78.5Confident84 Ų8496.4 Ų96.451%0.50950%0.495SS..Hα-helixtrans-68.3-46.9174.2176.80000111S165 Q169 K170 I171S165-V167 PolarHBondContact O-N 3.48Å; V167-Q169 VanDerWaalsContact C-N 3.33Å; V167-Q169 PolarHBondContact O-N 2.87Å; V167-K170 PolarHBondContact O-N 3.35Å; V167-I171 HydrophobicContact CG1-CD1 4.3Å; V167-I171 WeakPolarHBondContact O-CG1 3.42Å; V167-I171 PolarHBondContact O-N 2.92Å
168S71.7Confident78.5Confident17 Ų17102 Ų10212%0.11952%0.517CS..Hα-helixtrans-65.7-35.9176-580000112.2N163 S165 I171 V172N163-S168 VanDerWaalsContact ND2-C 3.31Å; N163-S168 PolarHBondContact ND2-O 3.33Å; S165-S168 PolarHBondContact O-N 3.4Å; S165-S168 VanDerWaalsContact O-N 3.11Å; S165-S168 WeakPolarHBondContact OG-CB 3.3Å; S165-S168 PolarHBondContact OG-N 3.15Å; S165-S168 PolarHBondContact OG-OG 3.2Å; S168-I171 PolarHBondContact O-N 3.48Å; S168-V172 PolarHBondContact O-N 3.01Å
169Q77.7Confident78.7Confident89 Ų89101.3 Ų101.342%0.41651%0.512SS..Hα-helixtrans-61.5-48.6174.7-72.8174.4-22.600111.4N163 S165 V167 I171 V172 E173N163-Q169 HydrophobicContact CB-CG 3.75Å; N163-Q169 PolarHBondContact O-NE2 3.48Å; N163-Q169 VanDerWaalsContact O-NE2 3.13Å; S165-Q169 WeakPolarHBondContact O-CG 3.35Å; S165-Q169 PolarHBondContact O-N 3.05Å; V167-Q169 VanDerWaalsContact C-N 3.33Å; V167-Q169 PolarHBondContact O-N 2.87Å; Q169-I171 VanDerWaalsContact C-N 3.31Å; Q169-I171 PolarHBondContact O-N 3.07Å; Q169-V172 PolarHBondContact O-N 3.04Å; Q169-V172 VanDerWaalsContact O-N 3.15Å; Q169-E173 WeakPolarHBondContact O-CG 3.21Å; Q169-E173 PolarHBondContact O-N 2.89Å
170K80.9Confident78.6Confident132 Ų13298.5 Ų98.557%0.57450%0.501SS*.Hα-helixtrans-56-42.9176.1-74.3173.2-176.5-173.90112.6S166 V167 V172 E173 D174S166-K170 VanDerWaalsContact O-CG 3.26Å; S166-K170 WeakPolarHBondContact O-CG 3.44Å; S166-K170 PolarHBondContact O-N 2.94Å; V167-K170 PolarHBondContact O-N 3.35Å; K170-V172 PolarHBondContact O-N 3.11Å; K170-E173 PolarHBondContact O-N 3.49Å; K170-D174 WeakPolarHBondContact O-CB 3.34Å; K170-D174 VanDerWaalsContact O-CG 3.24Å; K170-D174 PolarHBondContact O-N 3.46Å
171I77.8Confident78.8Confident80 Ų8098.5 Ų98.541%0.4150%0.501SS..Hα-helixtrans-63.3-42.4178.5-65.5165000111.7V167 S168 Q169 D174 E175V167-I171 HydrophobicContact CG1-CD1 4.3Å; V167-I171 WeakPolarHBondContact O-CG1 3.42Å; V167-I171 PolarHBondContact O-N 2.92Å; S168-I171 PolarHBondContact O-N 3.48Å; Q169-I171 VanDerWaalsContact C-N 3.31Å; Q169-I171 PolarHBondContact O-N 3.07Å; I171-D174 PolarHBondContact O-N 3Å; I171-E175 PolarHBondContact O-N 2.95Å
172V80.7Confident78.9Confident75 Ų75101.4 Ų101.446%0.45550%0.497SS..Hα-helixtrans-69.9-38.7178.9170.80000111.7N163 S168 Q169 K170 E175 K176N163-V172 WeakPolarHBondContact ND2-CG2 3.26Å; S168-V172 PolarHBondContact O-N 3.01Å; Q169-V172 PolarHBondContact O-N 3.04Å; Q169-V172 VanDerWaalsContact O-N 3.15Å; K170-V172 PolarHBondContact O-N 3.11Å; V172-E175 PolarHBondContact O-N 2.75Å; V172-K176 WeakPolarHBondContact O-CB 3.47Å; V172-K176 PolarHBondContact O-N 3.22Å
173E80.7Confident79.4Confident123 Ų123104.7 Ų104.758%0.57550%0.501SS*.Hα-helixtrans-64.2-44.1174.3-73.6173.3-171.200111.5Q169 K170 E175 K176 L177Q169-E173 WeakPolarHBondContact O-CG 3.21Å; Q169-E173 PolarHBondContact O-N 2.89Å; K170-E173 PolarHBondContact O-N 3.49Å; E173-E175 PolarHBondContact O-N 3.49Å; E173-K176 PolarHBondContact O-N 2.86Å; E173-L177 WeakPolarHBondContact O-CB 3.19Å; E173-L177 PolarHBondContact O-N 3.38Å
174D79.6Confident79.5Confident104 Ų104109 Ų10956%0.55652%0.518SS*.Hα-helixtrans-63-40.9176.5-75.8-23.5000111.8K170 I171 L177 K178K170-D174 WeakPolarHBondContact O-CB 3.34Å; K170-D174 VanDerWaalsContact O-CG 3.24Å; K170-D174 PolarHBondContact O-N 3.46Å; I171-D174 PolarHBondContact O-N 3Å; D174-L177 PolarHBondContact O-N 3.36Å; D174-K178 WeakPolarHBondContact O-CB 3.21Å; D174-K178 PolarHBondContact O-N 2.8Å
175E84.9Confident79.4Confident105 Ų105107.4 Ų107.449%0.49152%0.518SS..Hα-helixtrans-65-41.8173.2-81.2-162.3-176.900112.6I171 V172 E173 L177 K178 K179I171-E175 PolarHBondContact O-N 2.95Å; V172-E175 PolarHBondContact O-N 2.75Å; E173-E175 PolarHBondContact O-N 3.49Å; E175-L177 VanDerWaalsContact C-N 3.34Å; E175-K178 PolarHBondContact O-N 2.83Å; E175-K179 WeakPolarHBondContact O-CB 3.42Å; E175-K179 VanDerWaalsContact O-CG 3.31Å; E175-K179 WeakPolarHBondContact O-CG 3.06Å; E175-K179 PolarHBondContact O-N 3.4Å; E175-K179 IonicContact OE2-NZ 3.83Å
176K85.1Confident78.6Confident156 Ų156113.2 Ų113.268%0.67855%0.546SS*.Hα-helixtrans-67.2-38.8177.8-172.4176.7-178.31790110.8V172 E173 R180V172-K176 WeakPolarHBondContact O-CB 3.47Å; V172-K176 PolarHBondContact O-N 3.22Å; E173-K176 PolarHBondContact O-N 2.86Å; K176-R180 VanDerWaalsContact O-CB 3.26Å; K176-R180 WeakPolarHBondContact O-CB 3.2Å; K176-R180 PolarHBondContact O-N 2.8Å
177L82.7Confident77.2Confident113 Ų113117.4 Ų117.459%0.59256%0.561SS**Hα-helixtrans-68.4-39.1176.1-164.470.3000110.8E173 D174 E175 R180 K181E173-L177 WeakPolarHBondContact O-CB 3.19Å; E173-L177 PolarHBondContact O-N 3.38Å; D174-L177 PolarHBondContact O-N 3.36Å; E175-L177 VanDerWaalsContact C-N 3.34Å; L177-R180 PolarHBondContact O-N 2.76Å; L177-K181 VanDerWaalsContact O-CB 3.22Å; L177-K181 WeakPolarHBondContact O-CB 3.26Å; L177-K181 PolarHBondContact O-N 3.45Å
178K84.1Confident75.6Confident132 Ų132119.8 Ų119.857%0.57458%0.576SS**Hα-helixtrans-64.6-48.1172.8-172.8174.9-179.6-1780111.6D174 E175 R180 K181 E182D174-K178 WeakPolarHBondContact O-CB 3.21Å; D174-K178 PolarHBondContact O-N 2.8Å; E175-K178 PolarHBondContact O-N 2.83Å; K178-R180 VanDerWaalsContact C-N 3.3Å; K178-R180 PolarHBondContact O-N 2.98Å; K178-K181 CarbonylContact O-C 3.56Å; K178-K181 PolarHBondContact O-N 3.02Å; K178-K181 VanDerWaalsContact O-N 3.14Å; K178-E182 WeakPolarHBondContact CE-OE1 3.22Å; K178-E182 WeakPolarHBondContact CG-OE1 3.31Å; K178-E182 WeakPolarHBondContact O-CB 3.22Å; K178-E182 VanDerWaalsContact O-CG 3.3Å; K178-E182 WeakPolarHBondContact O-CG 3.38Å; K178-E182 PolarHBondContact O-N 2.72Å
179K87.4Confident74.1Confident115 Ų115124.6 Ų124.650%0.561%0.61SS.*Hα-helixtrans-60.4-38.8173.5-74.5170.4-177.21610111.5E175 E182 R183E175-K179 WeakPolarHBondContact O-CB 3.42Å; E175-K179 VanDerWaalsContact O-CG 3.31Å; E175-K179 WeakPolarHBondContact O-CG 3.06Å; E175-K179 PolarHBondContact O-N 3.4Å; E175-K179 IonicContact OE2-NZ 3.83Å; K179-E182 PolarHBondContact O-N 3.32Å; K179-R183 WeakPolarHBondContact O-CB 3.39Å; K179-R183 WeakPolarHBondContact O-CD 3.47Å; K179-R183 WeakPolarHBondContact O-CG 3.21Å; K179-R183 PolarHBondContact O-N 3.44Å
180R84.3Confident72.6Confident163 Ų163124.7 Ų124.762%0.61563%0.626SS**Hα-helixtrans-66.8-43.4174.4-166-179.5-152172.56.7110.8K176 L177 K178 E182 R183 F184K176-R180 VanDerWaalsContact O-CB 3.26Å; K176-R180 WeakPolarHBondContact O-CB 3.2Å; K176-R180 PolarHBondContact O-N 2.8Å; L177-R180 PolarHBondContact O-N 2.76Å; K178-R180 VanDerWaalsContact C-N 3.3Å; K178-R180 PolarHBondContact O-N 2.98Å; R180-E182 VanDerWaalsContact C-N 3.29Å; R180-E182 PolarHBondContact O-N 2.84Å; R180-R183 PolarHBondContact O-N 3.48Å; R180-F184 HydrophobicContact CB-CD2 4.41Å; R180-F184 HydrophobicContact CG-CD2 3.47Å; R180-F184 VanDerWaalsContact CG-CD2 3.47Å; R180-F184 HydrophobicContact CG-CE2 3.97Å; R180-F184 HydrophobicContact CG-CG 4.39Å; R180-F184 WeakPolarHBondContact O-CA 3.3Å; R180-F184 VanDerWaalsContact O-CB 3.22Å; R180-F184 WeakPolarHBondContact O-CB 3.41Å; R180-F184 VanDerWaalsContact O-CD2 3.31Å; R180-F184 WeakPolarHBondContact O-CD2 3.1Å; R180-F184 PolarHBondContact O-N 2.79Å
181K82.7Confident71.5Confident140 Ų140124.4 Ų124.461%0.60964%0.637SS**Hα-helixtrans-64.6-34.3176.8-173.8175.6-179.2178.30112.1L177 K178 G185L177-K181 VanDerWaalsContact O-CB 3.22Å; L177-K181 WeakPolarHBondContact O-CB 3.26Å; L177-K181 PolarHBondContact O-N 3.45Å; K178-K181 CarbonylContact O-C 3.56Å; K178-K181 PolarHBondContact O-N 3.02Å; K178-K181 VanDerWaalsContact O-N 3.14Å; K181-G185 WeakPolarHBondContact O-CA 3.31Å; K181-G185 PolarHBondContact O-N 3.38Å
182E80.1Confident70Confident128 Ų128126.1 Ų126.160%0.59866%0.656SS**Hα-helixtrans-74.4-40.4174.6-72.7169.4-17800111.6K178 K179 R180K178-E182 WeakPolarHBondContact CE-OE1 3.22Å; K178-E182 WeakPolarHBondContact CG-OE1 3.31Å; K178-E182 WeakPolarHBondContact O-CB 3.22Å; K178-E182 VanDerWaalsContact O-CG 3.3Å; K178-E182 WeakPolarHBondContact O-CG 3.38Å; K178-E182 PolarHBondContact O-N 2.72Å; K179-E182 PolarHBondContact O-N 3.32Å; R180-E182 VanDerWaalsContact C-N 3.29Å; R180-E182 PolarHBondContact O-N 2.84Å
183R80.3Confident68.3Low209 Ų209129.3 Ų129.379%0.78968%0.676SS**Hα-helixtrans-74.9-34.3178.7-71.5171.776.4105.84.9113.6K179 R180K179-R183 WeakPolarHBondContact O-CB 3.39Å; K179-R183 WeakPolarHBondContact O-CD 3.47Å; K179-R183 WeakPolarHBondContact O-CG 3.21Å; K179-R183 PolarHBondContact O-N 3.44Å; R180-R183 PolarHBondContact O-N 3.48Å
184F75.9Confident66.4Low144 Ų144126 Ų12663%0.63268%0.675SS**THydrogen-bonded Turntrans-115.233.2-177.7-61.8-87.2000110.4R180 I186R180-F184 HydrophobicContact CB-CD2 4.41Å; R180-F184 HydrophobicContact CG-CD2 3.47Å; R180-F184 VanDerWaalsContact CG-CD2 3.47Å; R180-F184 HydrophobicContact CG-CE2 3.97Å; R180-F184 HydrophobicContact CG-CG 4.39Å; R180-F184 WeakPolarHBondContact O-CA 3.3Å; R180-F184 VanDerWaalsContact O-CB 3.22Å; R180-F184 WeakPolarHBondContact O-CB 3.41Å; R180-F184 VanDerWaalsContact O-CD2 3.31Å; R180-F184 WeakPolarHBondContact O-CD2 3.1Å; R180-F184 PolarHBondContact O-N 2.79Å; F184-I186 PolarHBondContact O-N 3.14Å
185G63.7Low64.7Low48 Ų48124.3 Ų124.350%0.49568%0.682SS.*  trans-34.9113.1176.500000111.1K181 L187K181-G185 WeakPolarHBondContact O-CA 3.31Å; K181-G185 PolarHBondContact O-N 3.38Å; G185-L187 PolarHBondContact O-N 3.14Å; G185-L187 VanDerWaalsContact O-N 3.14Å
186I57.6Low63.1Low145 Ų145122.1 Ų122.174%0.74469%0.688SS**SBendtrans-5.198.6172.2-66.9158.3000112.9F184F184-I186 PolarHBondContact O-N 3.14Å
187L47.8Very low61.8Low163 Ų163119.2 Ų119.285%0.85368%0.68SS**  trans-1340.8161.2-164.853.3000114.3G185G185-L187 PolarHBondContact O-N 3.14Å; G185-L187 VanDerWaalsContact O-N 3.14Å
188T43Very low60.8Low134 Ų134118.9 Ų118.982%0.82268%0.682SS**SBendtrans-134.7106.6179.960.40000112.5
189S39.2Very low59.8Low118 Ų118119.5 Ų119.583%0.82569%0.687SS**SBendtrans83.187.2158.6-152.40000119.4
190A47.3Very low58.9Low92 Ų92116.5 Ų116.576%0.7668%0.683SS**  trans68.5166.5134.500000119.1
191P56.8Low58.3Low125 Ų125114.9 Ų114.981%0.81268%0.681SS**  -122.8127.1-98.532.3-14.6000112.4
192S46.7Very low58Low116 Ų116115.9 Ų115.981%0.81169%0.685SS**  trans-173.4141.9146-154.90000112.6
193V44.5Very low57.7Low143 Ų143116.3 Ų116.387%0.86769%0.689SS**  trans74.885.1164-164.50000116.6
194G40.6Very low57.7Low53 Ų53113 Ų11355%0.54668%0.68SS.*  trans-171.659.1164.700000111G196 D197G194-G196 PolarHBondContact O-N 2.88Å; G194-D197 PolarHBondContact O-N 2.7Å
195G44.8Very low57.9Low68 Ų68114.7 Ų114.770%0.70168%0.682SS**Hα-helixtrans-58-3.5-175.100000116.4
196G49.9Very low58.7Low60 Ų60114 Ų11462%0.61967%0.672SS**Hα-helixtrans-83.3-28.2177.400000115.4G194G194-G196 PolarHBondContact O-N 2.88Å
197D57.8Low59.7Low95 Ų95114.9 Ų114.951%0.50867%0.673SS.*Hα-helixtrans-87.2-23.4-171.9-169.442.5000113.3G194 K201G194-D197 PolarHBondContact O-N 2.7Å; D197-K201 PolarHBondContact O-N 3.33Å; D197-K201 IonicContact OD1-NZ 2.72Å; D197-K201 IonicContact OD2-NZ 3.75Å; D197-K201 PolarHBondContact OD2-NZ 2.94Å
198V61.8Low61.1Low105 Ų105117 Ų11764%0.63667%0.67SS**Hα-helixtrans-75.4-38.1178.4-176.40000111.1K201 K202V198-K201 PolarHBondContact O-N 3.33Å; V198-K202 WeakPolarHBondContact O-CB 3.34Å; V198-K202 PolarHBondContact O-N 2.94Å
199E63.6Low62.9Low146 Ų146118.2 Ų118.268%0.68266%0.664SS**Hα-helixtrans-65.5-42.3176.2-82.1-154.3143.800112.5K201 K202 M203E199-K201 VanDerWaalsContact C-N 3.32Å; E199-K201 PolarHBondContact O-N 3.46Å; E199-K202 PolarHBondContact O-N 3.41Å; E199-M203 WeakPolarHBondContact O-CB 3.48Å; E199-M203 PolarHBondContact O-N 3.04Å
200A67.6Low64.2Low51 Ų51114.8 Ų114.842%0.42165%0.646SS.*Hα-helixtrans-63.1-38.4178.300000112.3K204A200-K204 WeakPolarHBondContact O-CG 3.36Å; A200-K204 PolarHBondContact O-N 3.4Å
201K72.6Confident64.8Low130 Ų130119.7 Ų119.757%0.56565%0.651SS**Hα-helixtrans-72.4-36175.1-75.9170.2177.9156.90112.4D197 V198 E199 R205D197-K201 PolarHBondContact O-N 3.33Å; D197-K201 IonicContact OD1-NZ 2.72Å; D197-K201 IonicContact OD2-NZ 3.75Å; D197-K201 PolarHBondContact OD2-NZ 2.94Å; V198-K201 PolarHBondContact O-N 3.33Å; E199-K201 VanDerWaalsContact C-N 3.32Å; E199-K201 PolarHBondContact O-N 3.46Å; K201-R205 WeakPolarHBondContact O-CB 3.35Å; K201-R205 PolarHBondContact O-N 2.87Å
202K76.4Confident64.5Low161 Ų161123.7 Ų123.770%0.767%0.672SS**Hα-helixtrans-67.6-39.2175.6-164.9176.7-179.6-177.60111.5V198 E199 R205 A206V198-K202 WeakPolarHBondContact O-CB 3.34Å; V198-K202 PolarHBondContact O-N 2.94Å; E199-K202 PolarHBondContact O-N 3.41Å; K202-R205 PolarHBondContact O-N 2.94Å; K202-A206 WeakPolarHBondContact O-CB 3.47Å; K202-A206 PolarHBondContact O-N 3.27Å
203M73.3Confident65.4Low136 Ų136124.1 Ų124.167%0.6767%0.665SS**Hα-helixtrans-63.3-50.1172.2-82.2-68.7-152.600111.9E199 R205 A206 E207E199-M203 WeakPolarHBondContact O-CB 3.48Å; E199-M203 PolarHBondContact O-N 3.04Å; M203-R205 VanDerWaalsContact C-N 3.25Å; M203-R205 PolarHBondContact O-N 3.24Å; M203-A206 PolarHBondContact O-N 2.85Å; M203-A206 VanDerWaalsContact O-N 3.1Å; M203-E207 PolarHBondContact O-N 3.22Å
204K80.8Confident66.5Low140 Ų140123.1 Ų123.161%0.60966%0.655SS**Hα-helixtrans-62.4-31176.6-76.1-171.6177.4-179.10113.2A200 R208A200-K204 WeakPolarHBondContact O-CG 3.36Å; A200-K204 PolarHBondContact O-N 3.4Å; K204-R208 VanDerWaalsContact O-CB 3.31Å; K204-R208 WeakPolarHBondContact O-CB 3.21Å; K204-R208 WeakPolarHBondContact O-CG 3.31Å; K204-R208 PolarHBondContact O-N 3.5Å; K204-R208 VanDerWaalsContact O-N 3.12Å
205R79.6Confident67.9Low180 Ų180126.9 Ų126.968%0.67966%0.661SS**Hα-helixtrans-72.6-42.2172.6-177.2176.6-86.6-147.9-3.8111.3K201 K202 M203 E207 R208 F209K201-R205 WeakPolarHBondContact O-CB 3.35Å; K201-R205 PolarHBondContact O-N 2.87Å; K202-R205 PolarHBondContact O-N 2.94Å; M203-R205 VanDerWaalsContact C-N 3.25Å; M203-R205 PolarHBondContact O-N 3.24Å; R205-E207 VanDerWaalsContact C-N 3.34Å; R205-E207 PolarHBondContact O-N 3.12Å; R205-R208 PolarHBondContact O-N 2.87Å; R205-F209 HydrophobicContact CG-CD2 3.79Å; R205-F209 HydrophobicContact CG-CE2 4.27Å; R205-F209 WeakPolarHBondContact O-CD2 3.28Å; R205-F209 PolarHBondContact O-N 3.1Å
206A81.7Confident69.3Low34 Ų34130.4 Ų130.428%0.28166%0.658SS.*Hα-helixtrans-64.8-36.6177.100000112.5K202 M203 G210K202-A206 WeakPolarHBondContact O-CB 3.47Å; K202-A206 PolarHBondContact O-N 3.27Å; M203-A206 PolarHBondContact O-N 2.85Å; M203-A206 VanDerWaalsContact O-N 3.1Å; A206-G210 CarbonylContact O-C 3.57Å; A206-G210 VanDerWaalsContact O-CA 3.28Å; A206-G210 WeakPolarHBondContact O-CA 3.38Å; A206-G210 PolarHBondContact O-N 3.04Å
207E78.1Confident70.5Confident162 Ų162134.8 Ų134.876%0.75766%0.661SS**Hα-helixtrans-66.1-42.3170.8-85.6-175.113700112.2M203 R205M203-E207 PolarHBondContact O-N 3.22Å; R205-E207 VanDerWaalsContact C-N 3.34Å; R205-E207 PolarHBondContact O-N 3.12Å
208R77Confident71.3Confident209 Ų209137.5 Ų137.579%0.78967%0.671SS**Hα-helixtrans-71-33.7-177.2-82178.5169.1-175.5-4.2113.9K204 R205K204-R208 VanDerWaalsContact O-CB 3.31Å; K204-R208 WeakPolarHBondContact O-CB 3.21Å; K204-R208 WeakPolarHBondContact O-CG 3.31Å; K204-R208 PolarHBondContact O-N 3.5Å; K204-R208 VanDerWaalsContact O-N 3.12Å; R205-R208 PolarHBondContact O-N 2.87Å
209F80.8Confident72Confident159 Ų159139.8 Ų139.870%0.69767%0.674SS**Hα-helixtrans-103.7-7.9-175.4-73.2-84.5000113.1R205R205-F209 HydrophobicContact CG-CD2 3.79Å; R205-F209 HydrophobicContact CG-CE2 4.27Å; R205-F209 WeakPolarHBondContact O-CD2 3.28Å; R205-F209 PolarHBondContact O-N 3.1Å
210G65.5Low72.7Confident45 Ų45139.3 Ų139.346%0.46467%0.673SS.*  trans63.1139.2-169.800000110.3A206 V212A206-G210 CarbonylContact O-C 3.57Å; A206-G210 VanDerWaalsContact O-CA 3.28Å; A206-G210 WeakPolarHBondContact O-CA 3.38Å; A206-G210 PolarHBondContact O-N 3.04Å; G210-V212 PolarHBondContact O-N 2.99Å
211K61Low73.1Confident195 Ų195146.7 Ų146.785%0.84869%0.694SS**  trans-69.7104.9162.9-79.2178174.5-177.60107.1
212V50.3Low73.1Confident209 Ų209148.2 Ų148.2100%1.26771%0.705SS**  trans-77.60149.7-177.90000107.4G210G210-V212 PolarHBondContact O-N 2.99Å

Retrieved 212 of 212 residues in 478 ms (Link to these results)

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