A0A5K4F9F5_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9F5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,159 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
1M38.4Very low47.2Very low198 Ų19897.5 Ų97.598%0.97546%0.463SS*.  0-51.90-84.9-78.8-93.400111.4D3 K4 L5M1-D3 PolarHBondContact O-N 3.49Å; M1-K4 WeakPolarHBondContact O-CB 3.34Å; M1-K4 PolarHBondContact O-N 3.35Å; M1-K4 VanDerWaalsContact O-N 3.13Å; M1-L5 PolarHBondContact O-N 2.94Å
2E41.6Very low47.5Very low158 Ų158100 Ų10074%0.73848%0.475SS*.Hα-helixtrans-55.5-45176.6-83.1-178.4147.300113.5K4 L5 I6E2-K4 VanDerWaalsContact C-N 3.27Å; E2-K4 PolarHBondContact O-N 3.04Å; E2-L5 WeakPolarHBondContact O-CB 3.47Å; E2-L5 PolarHBondContact O-N 3.21Å; E2-I6 VanDerWaalsContact O-CG1 3.3Å; E2-I6 WeakPolarHBondContact O-CG1 3.33Å; E2-I6 PolarHBondContact O-N 3.22Å
3D40.8Very low47.7Very low126 Ų126100.7 Ų100.767%0.67448%0.477SS*.Hα-helixtrans-61.4-36.3177.7-63.8-43.3000112.8M1 F7 I33M1-D3 PolarHBondContact O-N 3.49Å; D3-F7 WeakPolarHBondContact O-CB 3.46Å; D3-F7 PolarHBondContact O-N 3.47Å; D3-I33 WeakPolarHBondContact O-CD1 3.37Å
4K40.9Very low47.8Very low89 Ų8996.9 Ų96.939%0.38746%0.46SS..Hα-helixtrans-61.6-49.7172-77.5-175.8178.9176.30110.5M1 E2 I6 F7 Y8 I33M1-K4 WeakPolarHBondContact O-CB 3.34Å; M1-K4 PolarHBondContact O-N 3.35Å; M1-K4 VanDerWaalsContact O-N 3.13Å; E2-K4 VanDerWaalsContact C-N 3.27Å; E2-K4 PolarHBondContact O-N 3.04Å; K4-I6 PolarHBondContact O-N 3Å; K4-F7 PolarHBondContact O-N 3.03Å; K4-Y8 HydrophobicContact CB-CD2 4.4Å; K4-Y8 HydrophobicContact CB-CE2 4.36Å; K4-Y8 WeakPolarHBondContact O-CD2 3.31Å; K4-Y8 PolarHBondContact O-N 2.84Å; K4-I33 HydrophobicContact CB-CD1 4.35Å; K4-I33 HydrophobicContact CG-CD1 4.03Å
5L50.2Low48Very low111 Ų11197.4 Ų97.458%0.58146%0.462SS*.Hα-helixtrans-61.1-44.7-179.9-151.488.2000111.8M1 E2 F7 Y8 Q9M1-L5 PolarHBondContact O-N 2.94Å; E2-L5 WeakPolarHBondContact O-CB 3.47Å; E2-L5 PolarHBondContact O-N 3.21Å; L5-F7 PolarHBondContact O-N 3.28Å; L5-Y8 PolarHBondContact O-N 2.68Å; L5-Q9 VanDerWaalsContact O-CB 3.3Å; L5-Q9 WeakPolarHBondContact O-CB 3.38Å; L5-Q9 WeakPolarHBondContact O-CG 2.8Å; L5-Q9 PolarHBondContact O-N 3.18Å
6I48.6Very low48Very low87 Ų8797.1 Ų97.145%0.44647%0.474SS..Hα-helixtrans-63-42.6178.7-68.1166.1000110.5E2 K4 R10E2-I6 VanDerWaalsContact O-CG1 3.3Å; E2-I6 WeakPolarHBondContact O-CG1 3.33Å; E2-I6 PolarHBondContact O-N 3.22Å; K4-I6 PolarHBondContact O-N 3Å; I6-R10 VanDerWaalsContact O-CB 3.25Å; I6-R10 WeakPolarHBondContact O-CB 3.48Å; I6-R10 PolarHBondContact O-N 3.11Å
7F51.1Low47.8Very low37 Ų3794.1 Ų94.116%0.16246%0.461CS..Hα-helixtrans-69.7-42.8178.6178.1-94.3000112.8D3 K4 L5 R10 L11 W30 I33D3-F7 WeakPolarHBondContact O-CB 3.46Å; D3-F7 PolarHBondContact O-N 3.47Å; K4-F7 PolarHBondContact O-N 3.03Å; L5-F7 PolarHBondContact O-N 3.28Å; F7-R10 CarbonylContact O-C 3.42Å; F7-R10 WeakPolarHBondContact O-CA 3.35Å; F7-R10 WeakPolarHBondContact O-CB 3.33Å; F7-R10 PolarHBondContact O-N 3.23Å; F7-R10 VanDerWaalsContact O-N 3.07Å; F7-L11 HydrophobicContact CD1-CD1 3.62Å; F7-L11 HydrophobicContact CE1-CD1 3.05Å; F7-L11 HydrophobicContact CE2-CD1 4.15Å; F7-L11 HydrophobicContact CG-CD1 4.4Å; F7-L11 HydrophobicContact CZ-CD1 3.37Å; F7-L11 PolarHBondContact O-N 2.84Å; F7-W30 HydrophobicContact CD2-CE3 4.43Å; F7-W30 HydrophobicContact CE2-CD2 4.36Å; F7-W30 AromaticContact CE2-CE3 3.43Å; F7-W30 HydrophobicContact CE2-CE3 3.43Å; F7-W30 VanDerWaalsContact CE2-CE3 3.43Å; F7-W30 AromaticContact CE2-CZ3 3.87Å; F7-W30 HydrophobicContact CE2-CZ3 3.87Å; F7-W30 HydrophobicContact CZ-CB 4.05Å; F7-W30 HydrophobicContact CZ-CD2 4.45Å; F7-W30 AromaticContact CZ-CE3 3.84Å; F7-W30 HydrophobicContact CZ-CE3 3.84Å; F7-I33 HydrophobicContact CB-CD1 3.19Å; F7-I33 HydrophobicContact CB-CG1 3.76Å; F7-I33 HydrophobicContact CD1-CD1 3.7Å; F7-I33 HydrophobicContact CD1-CG1 3.36Å; F7-I33 HydrophobicContact CD2-CD1 4.16Å; F7-I33 HydrophobicContact CD2-CG1 3.77Å; F7-I33 HydrophobicContact CE1-CG1 3.71Å; F7-I33 HydrophobicContact CE2-CG1 4.11Å; F7-I33 HydrophobicContact CG-CD1 3.45Å; F7-I33 VanDerWaalsContact CG-CD1 3.45Å; F7-I33 HydrophobicContact CG-CG1 3.36Å; F7-I33 HydrophobicContact CZ-CG1 4.07Å
8Y52.8Low47.7Very low92 Ų9290.3 Ų90.336%0.36145%0.449SS..Hα-helixtrans-64-43.3174.9-76.9-65000111K4 L5 R10 L11 E12 H32K4-Y8 HydrophobicContact CB-CD2 4.4Å; K4-Y8 HydrophobicContact CB-CE2 4.36Å; K4-Y8 WeakPolarHBondContact O-CD2 3.31Å; K4-Y8 PolarHBondContact O-N 2.84Å; L5-Y8 PolarHBondContact O-N 2.68Å; Y8-R10 PolarHBondContact O-N 3.08Å; Y8-L11 PolarHBondContact O-N 3.28Å; Y8-E12 WeakPolarHBondContact O-CB 3.4Å; Y8-E12 WeakPolarHBondContact O-CG 3.38Å; Y8-E12 PolarHBondContact O-N 3.4Å; Y8-H32 PolarHBondContact OH-CE1 3.04Å; Y8-H32 PolarHBondContact OH-ND1 3.47Å
9Q53.1Low47.5Very low103 Ų10387.1 Ų87.148%0.48143%0.434SS..Hα-helixtrans-56.6-36.7170.1-82.7179-16.100111.7L5 E13L5-Q9 VanDerWaalsContact O-CB 3.3Å; L5-Q9 WeakPolarHBondContact O-CB 3.38Å; L5-Q9 WeakPolarHBondContact O-CG 2.8Å; L5-Q9 PolarHBondContact O-N 3.18Å; Q9-E13 WeakPolarHBondContact O-CB 3.44Å; Q9-E13 VanDerWaalsContact O-CG 3.28Å; Q9-E13 WeakPolarHBondContact O-CG 3.43Å; Q9-E13 PolarHBondContact O-N 2.85Å
10R49.9Very low47.5Very low56 Ų5685.3 Ų85.321%0.21143%0.43CS..Hα-helixtrans-74.2-36.9179-154.2169.4-163.8164.2-4.1112.9I6 F7 Y8 E13 I14I6-R10 VanDerWaalsContact O-CB 3.25Å; I6-R10 WeakPolarHBondContact O-CB 3.48Å; I6-R10 PolarHBondContact O-N 3.11Å; F7-R10 CarbonylContact O-C 3.42Å; F7-R10 WeakPolarHBondContact O-CA 3.35Å; F7-R10 WeakPolarHBondContact O-CB 3.33Å; F7-R10 PolarHBondContact O-N 3.23Å; F7-R10 VanDerWaalsContact O-N 3.07Å; Y8-R10 PolarHBondContact O-N 3.08Å; R10-E13 PolarHBondContact O-N 3.11Å; R10-I14 HydrophobicContact CG-CD1 4.42Å; R10-I14 WeakPolarHBondContact O-CB 3.32Å; R10-I14 WeakPolarHBondContact O-CD1 3.21Å; R10-I14 WeakPolarHBondContact O-CG1 3.48Å; R10-I14 PolarHBondContact O-N 3Å
11L51.4Low47.6Very low15 Ų1582.6 Ų82.68%0.07942%0.418CS..Hα-helixtrans-66-42.9172.4-116.9128.6000110.7F7 Y8 I14 Q15 P21 W30F7-L11 HydrophobicContact CD1-CD1 3.62Å; F7-L11 HydrophobicContact CE1-CD1 3.05Å; F7-L11 HydrophobicContact CE2-CD1 4.15Å; F7-L11 HydrophobicContact CG-CD1 4.4Å; F7-L11 HydrophobicContact CZ-CD1 3.37Å; F7-L11 PolarHBondContact O-N 2.84Å; Y8-L11 PolarHBondContact O-N 3.28Å; L11-I14 PolarHBondContact O-N 2.85Å; L11-Q15 VanDerWaalsContact O-CB 3.24Å; L11-Q15 WeakPolarHBondContact O-CB 3.15Å; L11-Q15 WeakPolarHBondContact O-CG 3.43Å; L11-Q15 PolarHBondContact O-N 3.13Å; L11-P21 HydrophobicContact CD2-CB 3.58Å; L11-W30 HydrophobicContact CD1-CB 3.93Å; L11-W30 WeakPolarHBondContact CD1-O 3.42Å; L11-W30 VanDerWaalsContact CD2-O 3.3Å; L11-W30 WeakPolarHBondContact CD2-O 3.42Å; L11-W30 HydrophobicContact CG-CB 4.46Å
12E51.9Low48Very low128 Ų12877.3 Ų77.360%0.59839%0.392SS*.Hα-helixtrans-62.1-41.7171.2-75.3179178.900111Y8 Q15 S16Y8-E12 WeakPolarHBondContact O-CB 3.4Å; Y8-E12 WeakPolarHBondContact O-CG 3.38Å; Y8-E12 PolarHBondContact O-N 3.4Å; E12-Q15 PolarHBondContact O-N 3.22Å; E12-S16 WeakPolarHBondContact O-CA 3.36Å; E12-S16 WeakPolarHBondContact O-CB 3.01Å; E12-S16 PolarHBondContact O-N 2.89Å; E12-S16 PolarHBondContact O-OG 3.41Å
13E49.9Very low48.1Very low109 Ų10970.1 Ų70.151%0.50936%0.358SS..Hα-helixtrans-61.4-50.1174.3-83179.2-178.300110.9Q9 R10 Q15 S16 D17Q9-E13 WeakPolarHBondContact O-CB 3.44Å; Q9-E13 VanDerWaalsContact O-CG 3.28Å; Q9-E13 WeakPolarHBondContact O-CG 3.43Å; Q9-E13 PolarHBondContact O-N 2.85Å; R10-E13 PolarHBondContact O-N 3.11Å; E13-Q15 PolarHBondContact O-N 3.03Å; E13-S16 WeakPolarHBondContact CA-OG 3.48Å; E13-S16 CarbonylContact O-C 3.53Å; E13-S16 PolarHBondContact O-N 3.37Å; E13-S16 PolarHBondContact O-OG 2.93Å; E13-D17 WeakPolarHBondContact O-CB 3.38Å; E13-D17 PolarHBondContact O-N 3.08Å
14I48.2Very low48Very low47 Ų4765.6 Ų65.624%0.24134%0.336CS..Hα-helixtrans-58.9-47.2177.9-71164.9000110.5R10 L11 D17 G18 D19R10-I14 HydrophobicContact CG-CD1 4.42Å; R10-I14 WeakPolarHBondContact O-CB 3.32Å; R10-I14 WeakPolarHBondContact O-CD1 3.21Å; R10-I14 WeakPolarHBondContact O-CG1 3.48Å; R10-I14 PolarHBondContact O-N 3Å; L11-I14 PolarHBondContact O-N 2.85Å; I14-D17 CarbonylContact O-C 3.34Å; I14-D17 WeakPolarHBondContact O-CB 3.27Å; I14-D17 PolarHBondContact O-N 3.15Å; I14-G18 PolarHBondContact O-N 3.45Å; I14-G18 VanDerWaalsContact O-N 3.16Å; I14-D19 HydrophobicContact CG2-CB 3.62Å; I14-D19 PolarHBondContact O-N 2.67Å
15Q51.7Low47.8Very low105 Ų10564.4 Ų64.449%0.49134%0.336SS..Hα-helixtrans-67.8-37.2177.6-73.5176.3-9.200112.3L11 E12 E13 D17 G18 P21L11-Q15 VanDerWaalsContact O-CB 3.24Å; L11-Q15 WeakPolarHBondContact O-CB 3.15Å; L11-Q15 WeakPolarHBondContact O-CG 3.43Å; L11-Q15 PolarHBondContact O-N 3.13Å; E12-Q15 PolarHBondContact O-N 3.22Å; E13-Q15 PolarHBondContact O-N 3.03Å; Q15-D17 VanDerWaalsContact C-N 3.28Å; Q15-D17 PolarHBondContact O-N 3.21Å; Q15-G18 VanDerWaalsContact O-CA 3.31Å; Q15-G18 WeakPolarHBondContact O-CA 3.34Å; Q15-G18 PolarHBondContact O-N 3.27Å; Q15-P21 HydrophobicContact CG-CB 4.45Å; Q15-P21 HydrophobicContact CG-CG 4.43Å
16S47.6Very low47.3Very low92 Ų9262.4 Ų62.464%0.64333%0.331SS*.Hα-helixtrans-69.1-29.617577.70000111.8E12 E13 G18E12-S16 WeakPolarHBondContact O-CA 3.36Å; E12-S16 WeakPolarHBondContact O-CB 3.01Å; E12-S16 PolarHBondContact O-N 2.89Å; E12-S16 PolarHBondContact O-OG 3.41Å; E13-S16 WeakPolarHBondContact CA-OG 3.48Å; E13-S16 CarbonylContact O-C 3.53Å; E13-S16 PolarHBondContact O-N 3.37Å; E13-S16 PolarHBondContact O-OG 2.93Å; S16-G18 PolarHBondContact O-N 3.13Å
17D45.4Very low46.7Very low47 Ų4759.4 Ų59.425%0.25132%0.321SS..THydrogen-bonded Turntrans-74.7-4.2167.1-85.5-33000111.9E13 I14 Q15 D19 R275E13-D17 WeakPolarHBondContact O-CB 3.38Å; E13-D17 PolarHBondContact O-N 3.08Å; I14-D17 CarbonylContact O-C 3.34Å; I14-D17 WeakPolarHBondContact O-CB 3.27Å; I14-D17 PolarHBondContact O-N 3.15Å; Q15-D17 VanDerWaalsContact C-N 3.28Å; Q15-D17 PolarHBondContact O-N 3.21Å; D17-D19 PolarHBondContact O-N 2.84Å; D17-R275 VanDerWaalsContact C-NH2 3.32Å; D17-R275 PolarHBondContact O-NE 2.86Å; D17-R275 PolarHBondContact O-NH2 3.32Å; D17-R275 IonicContact OD1-CZ 3.51Å; D17-R275 IonicContact OD1-NE 3.24Å; D17-R275 IonicContact OD1-NH1 3.65Å; D17-R275 PolarHBondContact OD1-NH1 3.02Å
18G45Very low46.2Very low25 Ų2559.5 Ų59.526%0.25833%0.326SS..THydrogen-bonded Turntrans69.911.3-17900000113.1I14 Q15 S16 Q230I14-G18 PolarHBondContact O-N 3.45Å; I14-G18 VanDerWaalsContact O-N 3.16Å; Q15-G18 VanDerWaalsContact O-CA 3.31Å; Q15-G18 WeakPolarHBondContact O-CA 3.34Å; Q15-G18 PolarHBondContact O-N 3.27Å; S16-G18 PolarHBondContact O-N 3.13Å; G18-Q230 PolarHBondContact O-NE2 3.07Å
19D44.7Very low45.9Very low30 Ų3057.8 Ų57.816%0.1633%0.325CS..  trans-75.3145.5170.8-87.6-32.9000109.7I14 D17 H421I14-D19 HydrophobicContact CG2-CB 3.62Å; I14-D19 PolarHBondContact O-N 2.67Å; D17-D19 PolarHBondContact O-N 2.84Å; D19-H421 IonicContact OD2-CE1 2.81Å
20S47.9Very low45.3Very low51 Ų5156.5 Ų56.536%0.35732%0.316SS..  trans-65.1132.9174.7177.40000109.5Q22S20-Q22 PolarHBondContact O-N 3.05Å; S20-Q22 WeakPolarHBondContact OG-CB 3.4Å; S20-Q22 WeakPolarHBondContact OG-CG 3.21Å; S20-Q22 PolarHBondContact OG-N 2.92Å; S20-Q22 PolarHBondContact OG-OE1 3.38Å
21P49.4Very low45.1Very low28 Ų2858.6 Ų58.618%0.18233%0.33CS..SBendtrans-67.45170.629.9-35.9000112.7L11 Q15 V29 W30L11-P21 HydrophobicContact CD2-CB 3.58Å; Q15-P21 HydrophobicContact CG-CB 4.45Å; Q15-P21 HydrophobicContact CG-CG 4.43Å; P21-V29 HydrophobicContact CB-CG1 4.31Å; P21-V29 HydrophobicContact CG-CG1 3.99Å; P21-W30 VanDerWaalsContact O-CB 3.32Å; P21-W30 WeakPolarHBondContact O-CB 3.37Å; P21-W30 VanDerWaalsContact O-CD1 3.27Å; P21-W30 PolarHBondContact O-N 3.42Å
22Q46.9Very low44.4Very low88 Ų8862.9 Ų62.941%0.41135%0.349SS..BIsolated β-bridgetrans-75.4134.4175.5-66160.6-14.800110.4S20 G27 C28 V29S20-Q22 PolarHBondContact O-N 3.05Å; S20-Q22 WeakPolarHBondContact OG-CB 3.4Å; S20-Q22 WeakPolarHBondContact OG-CG 3.21Å; S20-Q22 PolarHBondContact OG-N 2.92Å; S20-Q22 PolarHBondContact OG-OE1 3.38Å; Q22-G27 VanDerWaalsContact CB-O 3.31Å; Q22-G27 WeakPolarHBondContact CB-O 3.22Å; Q22-G27 VanDerWaalsContact CG-O 3.22Å; Q22-G27 WeakPolarHBondContact CG-O 3.44Å; Q22-C28 CarbonylContact C-O 3.46Å; Q22-C28 VanDerWaalsContact CA-O 3.31Å; Q22-C28 WeakPolarHBondContact CA-O 3.42Å; Q22-V29 HydrophobicContact CG-CG2 3.88Å
23C42.4Very low43.6Very low6 Ų658.6 Ų58.64%0.04133%0.33CS..  trans-51.2124.7169.2-176.90000109.4V25 C26 G27 C28 C57C23-V25 PolarHBondContact O-N 3.35Å; C23-V25 VanDerWaalsContact O-N 3.09Å; C23-V25 VanDerWaalsContact SG-CB 3.51Å; C23-V25 PolarHBondContact SG-N 3.39Å; C23-C26 VanDerWaalsContact CB-SG 3.55Å; C23-G27 VanDerWaalsContact O-CA 3.24Å; C23-G27 WeakPolarHBondContact O-CA 3.24Å; C23-G27 PolarHBondContact O-N 3.11Å; C23-C28 PolarHBondContact N-O 2.96Å; C23-C57 HydrophobicContact CB-CB 4.01Å; C23-C57 VanDerWaalsContact CB-SG 3.54Å; C23-C57 PolarHBondContact SG-SG 3.15Å
24P40.1Very low42.7Very low32 Ų3257.3 Ų57.321%0.20833%0.331CS..THydrogen-bonded Turntrans-64.9-15.1175.826.8-33.7000112.2
25V36Very low41.8Very low63 Ų6359.1 Ų59.138%0.38235%0.348SS..THydrogen-bonded Turntrans-83.3-61.3178.3-173.60000112.4C23 L287C23-V25 PolarHBondContact O-N 3.35Å; C23-V25 VanDerWaalsContact O-N 3.09Å; C23-V25 VanDerWaalsContact SG-CB 3.51Å; C23-V25 PolarHBondContact SG-N 3.39Å; V25-L287 VanDerWaalsContact CA-CD2 3.48Å; V25-L287 HydrophobicContact CB-CD2 4.05Å; V25-L287 HydrophobicContact CG1-CD2 4Å; V25-L287 HydrophobicContact CG2-CD1 4.2Å; V25-L287 HydrophobicContact CG2-CD2 4.12Å
26C39.4Very low40.7Very low70 Ų7062.6 Ų62.647%0.47336%0.362SS..THydrogen-bonded Turntrans-109.7-0.2-173.760.40000114.5C23 C28C23-C26 VanDerWaalsContact CB-SG 3.55Å; C26-C28 PolarHBondContact O-N 3.4Å; C26-C28 PolarHBondContact SG-SG 3.35Å
27G36.4Very low39.6Very low24 Ų2465 Ų6525%0.24737%0.367CS..  trans71.8-6.1-177.500000115Q22 C23 V29Q22-G27 VanDerWaalsContact CB-O 3.31Å; Q22-G27 WeakPolarHBondContact CB-O 3.22Å; Q22-G27 VanDerWaalsContact CG-O 3.22Å; Q22-G27 WeakPolarHBondContact CG-O 3.44Å; C23-G27 VanDerWaalsContact O-CA 3.24Å; C23-G27 WeakPolarHBondContact O-CA 3.24Å; C23-G27 PolarHBondContact O-N 3.11Å; G27-V29 PolarHBondContact O-N 3.03Å
28C40.1Very low38.8Very low38 Ų3867.4 Ų67.426%0.25739%0.388SS..  trans-62.5133.6177.9-59.50000111.2Q22 C23 C26 W30 C57Q22-C28 CarbonylContact C-O 3.46Å; Q22-C28 VanDerWaalsContact CA-O 3.31Å; Q22-C28 WeakPolarHBondContact CA-O 3.42Å; C23-C28 PolarHBondContact N-O 2.96Å; C26-C28 PolarHBondContact O-N 3.4Å; C26-C28 PolarHBondContact SG-SG 3.35Å; C28-W30 PolarHBondContact O-N 3.24Å; C28-C57 HydrophobicContact CB-CB 4.07Å
29V46.1Very low37.8Very low56 Ų5675.9 Ų75.934%0.33942%0.421SS..BIsolated β-bridgetrans-66.3125.4172.7-170.80000109.4P21 Q22 G27 I31 K56P21-V29 HydrophobicContact CB-CG1 4.31Å; P21-V29 HydrophobicContact CG-CG1 3.99Å; Q22-V29 HydrophobicContact CG-CG2 3.88Å; G27-V29 PolarHBondContact O-N 3.03Å; V29-I31 VanDerWaalsContact C-N 3.26Å; V29-I31 HydrophobicContact CB-CD1 3.98Å; V29-I31 HydrophobicContact CB-CG1 3.67Å; V29-I31 HydrophobicContact CG1-CD1 4.01Å; V29-I31 HydrophobicContact CG1-CG1 3.33Å; V29-I31 PolarHBondContact O-N 3.02Å; V29-K56 WeakPolarHBondContact O-CG 3.27Å
30W42Very low36.9Very low77 Ų7778.8 Ų78.829%0.29245%0.449SS..  trans-72.177.2174.6-70.125.9000109.5F7 L11 P21 C28F7-W30 HydrophobicContact CD2-CE3 4.43Å; F7-W30 HydrophobicContact CE2-CD2 4.36Å; F7-W30 AromaticContact CE2-CE3 3.43Å; F7-W30 HydrophobicContact CE2-CE3 3.43Å; F7-W30 VanDerWaalsContact CE2-CE3 3.43Å; F7-W30 AromaticContact CE2-CZ3 3.87Å; F7-W30 HydrophobicContact CE2-CZ3 3.87Å; F7-W30 HydrophobicContact CZ-CB 4.05Å; F7-W30 HydrophobicContact CZ-CD2 4.45Å; F7-W30 AromaticContact CZ-CE3 3.84Å; F7-W30 HydrophobicContact CZ-CE3 3.84Å; L11-W30 HydrophobicContact CD1-CB 3.93Å; L11-W30 WeakPolarHBondContact CD1-O 3.42Å; L11-W30 VanDerWaalsContact CD2-O 3.3Å; L11-W30 WeakPolarHBondContact CD2-O 3.42Å; L11-W30 HydrophobicContact CG-CB 4.46Å; P21-W30 VanDerWaalsContact O-CB 3.32Å; P21-W30 WeakPolarHBondContact O-CB 3.37Å; P21-W30 VanDerWaalsContact O-CD1 3.27Å; P21-W30 PolarHBondContact O-N 3.42Å; C28-W30 PolarHBondContact O-N 3.24Å
31I43.9Very low35.8Very low99 Ų9985.5 Ų85.551%0.50847%0.472SS..  trans-94.2-13.5-178-27.6153.3000112.5V29 K56V29-I31 VanDerWaalsContact C-N 3.26Å; V29-I31 HydrophobicContact CB-CD1 3.98Å; V29-I31 HydrophobicContact CB-CG1 3.67Å; V29-I31 HydrophobicContact CG1-CD1 4.01Å; V29-I31 HydrophobicContact CG1-CG1 3.33Å; V29-I31 PolarHBondContact O-N 3.02Å; I31-K56 VanDerWaalsContact C-NZ 3.31Å; I31-K56 HydrophobicContact CB-CD 4.2Å; I31-K56 VanDerWaalsContact N-CD 3.33Å; I31-K56 VanDerWaalsContact N-CE 3.29Å
32H37.1Very low34.4Very low105 Ų10590.3 Ų90.349%0.48650%0.504SS..  trans-156.7147.3175.7-97.1-86.7000112.8Y8 K56Y8-H32 PolarHBondContact OH-CE1 3.04Å; Y8-H32 PolarHBondContact OH-ND1 3.47Å; H32-K56 HydrophobicContact CB-CD 4.41Å; H32-K56 VanDerWaalsContact N-CD 3.34Å
33I35.1Very low33.3Very low38 Ų3892.7 Ų92.720%0.19552%0.52CS..  trans-78.1134.3160.9-54163.8000107.5D3 K4 F7 S35D3-I33 WeakPolarHBondContact O-CD1 3.37Å; K4-I33 HydrophobicContact CB-CD1 4.35Å; K4-I33 HydrophobicContact CG-CD1 4.03Å; F7-I33 HydrophobicContact CB-CD1 3.19Å; F7-I33 HydrophobicContact CB-CG1 3.76Å; F7-I33 HydrophobicContact CD1-CD1 3.7Å; F7-I33 HydrophobicContact CD1-CG1 3.36Å; F7-I33 HydrophobicContact CD2-CD1 4.16Å; F7-I33 HydrophobicContact CD2-CG1 3.77Å; F7-I33 HydrophobicContact CE1-CG1 3.71Å; F7-I33 HydrophobicContact CE2-CG1 4.11Å; F7-I33 HydrophobicContact CG-CD1 3.45Å; F7-I33 VanDerWaalsContact CG-CD1 3.45Å; F7-I33 HydrophobicContact CG-CG1 3.36Å; F7-I33 HydrophobicContact CZ-CG1 4.07Å; I33-S35 PolarHBondContact O-N 3.22Å
34P31.5Very low32.5Very low83 Ų83101.7 Ų101.754%0.53956%0.558SS.*  trans-54.3131.4168.6-20.831.9000109.9F36P34-F36 HydrophobicContact CB-CE2 4.38Å; P34-F36 WeakPolarHBondContact O-CD2 3.39Å; P34-F36 PolarHBondContact O-N 3.49Å
35S30.1Very low31.7Very low84 Ų84110.2 Ų110.259%0.58759%0.592SS**  trans-62.996.3173.946.80000109.8I33 D37I33-S35 PolarHBondContact O-N 3.22Å; S35-D37 PolarHBondContact O-N 3.16Å; S35-D37 VanDerWaalsContact O-N 3.07Å
36F27.3Very low31.3Very low179 Ų179114.3 Ų114.379%0.78561%0.612SS**  trans-78.375.5161.4-72.2-85.1000107.2P34 S38P34-F36 HydrophobicContact CB-CE2 4.38Å; P34-F36 WeakPolarHBondContact O-CD2 3.39Å; P34-F36 PolarHBondContact O-N 3.49Å; F36-S38 PolarHBondContact O-N 3.3Å
37D25.1Very low30.5Very low142 Ų142120 Ų12076%0.75963%0.632SS**  trans-71.1105.2170.2-80.1-28.3000108.3S35 H39S35-D37 PolarHBondContact O-N 3.16Å; S35-D37 VanDerWaalsContact O-N 3.07Å; D37-H39 PolarHBondContact O-N 2.95Å
38S27.3Very low30Very low98 Ų98128.6 Ų128.669%0.68566%0.663SS**  trans-58.2123.7172.252.20000110.8F36 A40F36-S38 PolarHBondContact O-N 3.3Å; S38-A40 PolarHBondContact O-N 3.36Å; S38-A40 VanDerWaalsContact O-N 3.15Å
39H25.1Very low29.3Very low203 Ų203133.7 Ų133.794%0.9469%0.687SS**  trans37.562.3152.5-70.7-74000116.4D37D37-H39 PolarHBondContact O-N 2.95Å
40A25.3Very low28.2Very low91 Ų91140.8 Ų140.875%0.75271%0.714SS**  trans-112.6125.7160.500000108.6S38 C42S38-A40 PolarHBondContact O-N 3.36Å; S38-A40 VanDerWaalsContact O-N 3.15Å; A40-C42 PolarHBondContact O-N 3.41Å
41K24.5Very low27.4Very low192 Ų192144.5 Ų144.584%0.83574%0.739SS**  trans-48.2135.2-177.8-70.4165.8173.81770110.9D43K41-D43 PolarHBondContact O-N 3.27Å
42C20.4Very low26.6Very low128 Ų128144.1 Ų144.187%0.86575%0.745SS**SBendtrans-52.496.4167.3-161.40000109.1A40A40-C42 PolarHBondContact O-N 3.41Å
43D23.6Very low26.1Very low138 Ų138146.9 Ų146.974%0.73876%0.764SS**  trans-154.9111.4167-86.7-41.4000107.9K41K41-D43 PolarHBondContact O-N 3.27Å
44K25.4Very low25.8Very low196 Ų196152.1 Ų152.185%0.85279%0.787SS**  trans76.398.4165.2-54-176.9178.6-174.10116.8
45F24.9Very low26.1Very low211 Ų211153.3 Ų153.393%0.92579%0.793SS**  trans-86.3119.8156.6-96.1-94.3000108.7
46D25.9Very low26.2Very low148 Ų148151.2 Ų151.279%0.79177%0.773SS**  trans-117.5150.7159.7-78.6-38.4000108.3
47E24Very low26.3Very low191 Ų191144.1 Ų144.189%0.89375%0.746SS**  trans-43.7130.3-169.6-63.1170.7134.300116.8
48F25.6Very low27Very low204 Ų204145.1 Ų145.190%0.89575%0.749SS**  trans-143.1142.8155.3-104.1-83.2000111.6
49D25Very low27.2Very low145 Ų145143.2 Ų143.278%0.77574%0.735SS**  trans-42.3136.5-167.1-85.6-54.8000118.8N51D49-N51 VanDerWaalsContact C-N 3.35Å; D49-N51 PolarHBondContact O-N 3.21Å
50K23.3Very low27.7Very low205 Ų205137.4 Ų137.489%0.89172%0.716SS**SBendtrans-84.621.9177.8-80.1-175174.1177.40115.6
51N25Very low28.2Very low154 Ų154137.8 Ų137.882%0.82471%0.705SS**  trans-125.257.4-173.5-82.3-15.2000114.3D49D49-N51 VanDerWaalsContact C-N 3.35Å; D49-N51 PolarHBondContact O-N 3.21Å
52S28.1Very low28.3Very low91 Ų91134.6 Ų134.664%0.63671%0.707SS**  trans-152.580.1165.469.10000114.1H54S52-H54 PolarHBondContact O-N 3.14Å
53D25.7Very low28.5Very low164 Ų164133.2 Ų133.288%0.87770%0.699SS**  trans-77.164.8168.3-78.6-27.2000111.7
54H29.4Very low28.5Very low148 Ų148131.3 Ų131.369%0.68570%0.696SS**  trans-123.460178.4-73.4-25.9000113.6S52 K56S52-H54 PolarHBondContact O-N 3.14Å; H54-K56 PolarHBondContact O-NZ 3.16Å
55T36.4Very low28.4Very low107 Ų107129.7 Ų129.766%0.65669%0.692SS**  trans-132.1104.4174.347.50000109
56K33Very low28.2Very low41 Ų41127.4 Ų127.418%0.17868%0.684CS.*  82.5118.552.3-66.2-179.3-163.1135.40116.7V29 I31 H32 H54V29-K56 WeakPolarHBondContact O-CG 3.27Å; I31-K56 VanDerWaalsContact C-NZ 3.31Å; I31-K56 HydrophobicContact CB-CD 4.2Å; I31-K56 VanDerWaalsContact N-CD 3.33Å; I31-K56 VanDerWaalsContact N-CE 3.29Å; H32-K56 HydrophobicContact CB-CD 4.41Å; H32-K56 VanDerWaalsContact N-CD 3.34Å; H54-K56 PolarHBondContact O-NZ 3.16Å
57C30.4Very low28.1Very low30 Ų30128.9 Ų128.920%0.20369%0.69CS.*THydrogen-bonded Turntrans-15.2151.5166.6171.90000121.6C23 C28C23-C57 HydrophobicContact CB-CB 4.01Å; C23-C57 VanDerWaalsContact CB-SG 3.54Å; C23-C57 PolarHBondContact SG-SG 3.15Å; C28-C57 HydrophobicContact CB-CB 4.07Å
58I39.1Very low28Very low163 Ų163126.2 Ų126.284%0.83668%0.682SS**THydrogen-bonded Turntrans74.1-14.3-170.4-109.5172000115.4
59C31.3Very low27.9Very low57 Ų57122.8 Ų122.839%0.38567%0.673SS.*  trans-161.195.715333.40000105L61C59-L61 HydrophobicContact CB-CB 4.33Å; C59-L61 HydrophobicContact CB-CD2 4.14Å; C59-L61 HydrophobicContact CB-CG 3.79Å; C59-L61 VanDerWaalsContact CB-N 3.35Å; C59-L61 WeakPolarHBondContact O-CG 3.48Å; C59-L61 PolarHBondContact O-N 3.11Å
60C35.4Very low27.8Very low81 Ų81125.4 Ų125.455%0.54768%0.68SS.*SBend-78.847.7126.3-63.40000106.6S62C60-S62 VanDerWaalsContact C-N 3.27Å; C60-S62 PolarHBondContact O-N 3.17Å; C60-S62 PolarHBondContact O-OG 3.31Å
61L36.7Very low27.6Very low100 Ų100124 Ų12452%0.52468%0.677SS.*  67.929.3120.1-82.2157.1000112C59 S63 S64C59-L61 HydrophobicContact CB-CB 4.33Å; C59-L61 HydrophobicContact CB-CD2 4.14Å; C59-L61 HydrophobicContact CB-CG 3.79Å; C59-L61 VanDerWaalsContact CB-N 3.35Å; C59-L61 WeakPolarHBondContact O-CG 3.48Å; C59-L61 PolarHBondContact O-N 3.11Å; L61-S63 PolarHBondContact O-N 2.97Å; L61-S64 PolarHBondContact O-N 3.12Å
62S26.6Very low27.5Very low124 Ų124122.4 Ų122.487%0.86767%0.673SS**THydrogen-bonded Turntrans-68.121.5175.1-43.90000114.7C60C60-S62 VanDerWaalsContact C-N 3.27Å; C60-S62 PolarHBondContact O-N 3.17Å; C60-S62 PolarHBondContact O-OG 3.31Å
63S23.5Very low27.2Very low99 Ų99124.7 Ų124.769%0.69268%0.678SS**THydrogen-bonded Turntrans-151.229.2173.551.50000114.2L61 E65L61-S63 PolarHBondContact O-N 2.97Å; S63-E65 VanDerWaalsContact C-N 3.33Å; S63-E65 PolarHBondContact O-N 2.72Å
64S24.7Very low27.1Very low99 Ų99123.2 Ų123.269%0.69267%0.67SS**  trans-92.477.7160.2-67.30000109.9L61L61-S64 PolarHBondContact O-N 3.12Å
65E21.8Very low26.8Very low161 Ų161122.1 Ų122.175%0.75267%0.669SS**  trans-56.9144156.1-75.3-177.313800111.4S63S63-E65 VanDerWaalsContact C-N 3.33Å; S63-E65 PolarHBondContact O-N 2.72Å
66Q21.8Very low26.3Very low164 Ų164123.3 Ų123.377%0.76667%0.672SS**  trans57.2115145.2-61.7177.418.500118.7
67I23.5Very low25.8Very low178 Ų178126.6 Ų126.691%0.91369%0.691SS**  -156.2133123.2-91.4141.8000109.5
68N22.6Very low25.5Very low135 Ų135131.8 Ų131.872%0.72271%0.713SS**  trans-63.4150.9-178.7-101.5-37.8000114.9
69N22.3Very low24.7Very low133 Ų133130.4 Ų130.471%0.71170%0.703SS**  trans26.4119.9136.2-61.1-25.1000118.8
70Q23.1Very low24.4Very low199 Ų199134.3 Ų134.393%0.9372%0.717SS**  -172.3137115.1-99.9158.951.800112.4
71Q19.9Very low23.9Very low176 Ų176138.8 Ų138.882%0.82273%0.727SS**  trans-70.8154.8174.6-66.5157.2-45.700111.4
72T22.8Very low23.2Very low121 Ų121140.5 Ų140.574%0.74274%0.737SS**  148.6113.8120.947.60000112.4
73D21.7Very low23.2Very low138 Ų138142.1 Ų142.174%0.73874%0.736SS**  trans49.6133130.1-54.1-18.8000123.4
74N24Very low23.2Very low133 Ų133145.2 Ų145.271%0.71174%0.739SS**  trans113.7104.1138.3-68.1-34.6000119
75N22.9Very low23.2Very low125 Ų125148.3 Ų148.367%0.66874%0.743SS**  73.9132.3114.3-67-16.2000122.3
76N24.3Very low23.3Very low132 Ų132146.9 Ų146.971%0.70674%0.741SS**  trans75.4140143.9-65.62.8000115.3
77D24Very low23.4Very low110 Ų110145.1 Ų145.159%0.58874%0.736SS**  cis179.7152.812.1-119.8-29.4000107
78Q23.8Very low23.6Very low139 Ų139146.3 Ų146.365%0.6574%0.738SS**  trans69.4147143.5-62.1169.944.600118.1
79Q22.6Very low23.6Very low134 Ų134147.8 Ų147.863%0.62674%0.74SS**  cis177.4156-0.1-112173.817.900107.3
80M24.1Very low23.8Very low140 Ų140150.8 Ų150.869%0.6975%0.75SS**  trans73.8143.7146.7-74.3-169.4-162.500118.4
81K25.5Very low23.7Very low175 Ų175146.4 Ų146.476%0.76174%0.741SS**  cis-163.9129.216.1-104.1150.3176.1169.50106
82N22.3Very low23.7Very low136 Ų136142.3 Ų142.373%0.72773%0.731SS**  52119.590.9-80.80.4000118.4
83N26.5Very low23.9Very low158 Ų158145.4 Ų145.485%0.84574%0.737SS**  trans165101.9136-82.7-7.8000107.3
84Q22.9Very low23.9Very low164 Ų164147.5 Ų147.577%0.76674%0.739SS**  60.5139.762.9-75-1701.400116.6
85Q24Very low23.8Very low163 Ų163152.3 Ų152.376%0.76275%0.749SS**  trans94.1135.9162.4-61.1-177.6-28.300116.8
86D25.7Very low23.7Very low132 Ų132154.5 Ų154.571%0.70676%0.755SS**  cis-161.3160.3-2.5-98.3-27000110.7
87D23.3Very low23.6Very low126 Ų126154.6 Ų154.667%0.67476%0.755SS**  trans-57.2158179.2-62.4-61.3000117.1
88Q27Very low23.8Very low203 Ų203158.7 Ų158.795%0.94977%0.771SS**  -163.5118.4126.9-105.1165.860.200114.2
89H22.5Very low23.7Very low167 Ų167158.9 Ų158.977%0.77378%0.776SS**  trans-74.2149.7173.3-94.2-92.3000114.2
90Q27.6Very low23.8Very low195 Ų195159.6 Ų159.691%0.91179%0.785SS**  trans-172.396.8144.5-102.4166.435.600107.2
91S21.3Very low23.8Very low107 Ų107161.4 Ų161.475%0.74879%0.792SS**  69101.972.4-162.40000115.8
92C19.2Very low23.9Very low91 Ų91162.6 Ų162.662%0.61580%0.8SS**  trans66.9118.4131.9-144.50000119.8
93H26.2Very low24Very low186 Ų186165.1 Ų165.186%0.86181%0.807SS**  -159.6123.7120.3-103-70.4000111.8
94K21.7Very low23.9Very low182 Ų182166.7 Ų166.779%0.79181%0.809SS**  trans-65.5137.5171-68.8168.1172.2174.90110.6
95Y21.9Very low24Very low234 Ų234167.6 Ų167.692%0.91882%0.816SS**  trans-127.2121.8147.8-98.6-86.6000109.5
96H20.6Very low24.1Very low170 Ų170167.8 Ų167.879%0.78782%0.822SS**  trans-96.6158.4176.3-133.2-32.3000108.2
97N23.5Very low24Very low134 Ų134170.9 Ų170.972%0.71783%0.832SS**  trans72.3106.8164.2-85.4-9000117.6
98Q27Very low24Very low197 Ų197171 Ų17192%0.92184%0.838SS**  -159.5108.7109.3-100.916410.500108.8
99N22.6Very low23.9Very low142 Ų142167.9 Ų167.976%0.75983%0.827SS**  trans-82.2159.7164.5-89.4-22.1000109.3
100N23.8Very low23.8Very low149 Ų149171.7 Ų171.780%0.79784%0.835SS**  trans85.7103165.3-58.3-14000115.3
101E25Very low23.6Very low179 Ų179170.9 Ų170.984%0.83683%0.828SS**SBendtrans157.877.4132.2-85.6173.9-178.600109.5
102Q26.9Very low23.6Very low199 Ų199171.5 Ų171.593%0.9383%0.828SS**  trans-179.372.4158.8-100.7153.774.300109.3
103Q24.9Very low23.7Very low190 Ų190177.6 Ų177.689%0.88884%0.839SS**  trans-127.687.7166.4-78-177.38.500108
104Q24.2Very low23.4Very low190 Ų190177 Ų17789%0.88884%0.837SS**SBendtrans-171.385.6161.7-106.6169.138.100106.9
105M24.4Very low23.3Very low183 Ų183173.8 Ų173.890%0.90183%0.834SS**SBendtrans16153.6158.2-87-139.1-72.300110.8
106N26.3Very low23.3Very low167 Ų167168.6 Ų168.689%0.89383%0.827SS**  trans-154.175.3169.8-95-23.8000110.1
107E23.3Very low23.5Very low198 Ų198166.4 Ų166.493%0.92582%0.821SS**  trans-12625.4173-104.2-174.6172.600113.2
108T25Very low23.5Very low129 Ų129167.3 Ų167.379%0.79183%0.825SS**SBendtrans-113109.2175.4-45.10000110.4
109L23.8Very low23.3Very low137 Ų137164.8 Ų164.872%0.71782%0.818SS**  trans72.279161.3-60.7167.7000117.3F111L109-F111 HydrophobicContact CD2-CD2 4.26Å; L109-F111 HydrophobicContact CD2-CE2 4.23Å; L109-F111 PolarHBondContact O-N 3.43Å
110R20.9Very low23.5Very low247 Ų247161.5 Ų161.593%0.93281%0.811SS**  trans-66.984.2143.5-69.8-173.6-177-171.81.9109
111F23.1Very low23.6Very low178 Ų178161.5 Ų161.578%0.78181%0.811SS**  trans-80112.3149.9-100-82.1000106.8L109 Y113L109-F111 HydrophobicContact CD2-CD2 4.26Å; L109-F111 HydrophobicContact CD2-CE2 4.23Å; L109-F111 PolarHBondContact O-N 3.43Å; F111-Y113 VanDerWaalsContact C-N 3.3Å; F111-Y113 PolarHBondContact O-N 3.19Å
112T20.9Very low23.5Very low119 Ų119160.6 Ų160.673%0.7381%0.811SS**  trans-61.486.4176.443.20000110.3
113Y20.9Very low23.4Very low220 Ų220158.8 Ų158.886%0.86381%0.807SS**  trans-103.3101.5138.9-96.6-92.3000105.4F111 P115F111-Y113 VanDerWaalsContact C-N 3.3Å; F111-Y113 PolarHBondContact O-N 3.19Å; Y113-P115 WeakPolarHBondContact O-CD 3.31Å; Y113-P115 VanDerWaalsContact O-N 3.14Å
114Q19.8Very low23.4Very low173 Ų173156.5 Ų156.581%0.80880%0.8SS**  trans-61.4114.8165.8-77.9-176.5-22.800106.2V116Q114-V116 PolarHBondContact O-N 3.17Å; Q114-V116 VanDerWaalsContact O-N 3.12Å
115P21.6Very low23.5Very low114 Ų114154.2 Ų154.274%0.7480%0.8SS**  trans-62.6120.8170.226.7-29.4000105.6Y113 N117Y113-P115 WeakPolarHBondContact O-CD 3.31Å; Y113-P115 VanDerWaalsContact O-N 3.14Å; P115-N117 VanDerWaalsContact C-N 3.29Å; P115-N117 PolarHBondContact O-N 2.95Å
116V21.7Very low23.7Very low125 Ų125153.7 Ų153.776%0.75880%0.795SS**  trans-58.1104.2169.3176.70000105.7Q114 L118Q114-V116 PolarHBondContact O-N 3.17Å; Q114-V116 VanDerWaalsContact O-N 3.12Å; V116-L118 VanDerWaalsContact C-N 3.29Å; V116-L118 HydrophobicContact CG1-CG 4.37Å; V116-L118 PolarHBondContact O-N 2.95Å
117N23Very low23.6Very low124 Ų124151.6 Ų151.666%0.66378%0.784SS**  trans-71.989.7-178.9-1663000106.9P115 N119P115-N117 VanDerWaalsContact C-N 3.29Å; P115-N117 PolarHBondContact O-N 2.95Å; N117-N119 PolarHBondContact O-N 3.37Å; N117-N119 VanDerWaalsContact O-N 3.13Å
118L23.8Very low23.6Very low153 Ų153150.8 Ų150.880%0.80178%0.782SS**  trans-72.411.2174.7-90149.8000112.9V116V116-L118 VanDerWaalsContact C-N 3.29Å; V116-L118 HydrophobicContact CG1-CG 4.37Å; V116-L118 PolarHBondContact O-N 2.95Å
119N24.5Very low23.8Very low144 Ų144150.5 Ų150.577%0.7778%0.781SS**  trans-114.660.5-177.6-65.8-20.4000112.3N117N117-N119 PolarHBondContact O-N 3.37Å; N117-N119 VanDerWaalsContact O-N 3.13Å
120A25.9Very low23.9Very low74 Ų74148.3 Ų148.361%0.61277%0.773SS**SBendtrans-172108.7156.900000104.9
121D25Very low24.1Very low149 Ų149141.9 Ų141.980%0.79776%0.761SS**SBendcis-146.5134.923.6-63.9-57.1000106.4
122L23.6Very low24.2Very low159 Ų159142.9 Ų142.983%0.83276%0.764SS**  trans-174.185.9149.1-98.2156.6000107.7L124L122-L124 VanDerWaalsContact C-N 3.31Å; L122-L124 HydrophobicContact CD2-CD1 4.18Å; L122-L124 PolarHBondContact O-N 3.31Å
123N25.3Very low24.6Very low162 Ų162142.4 Ų142.487%0.86676%0.762SS**  trans-59.491.9161.6-78.2-36.6000109.2
124L25.1Very low25Very low141 Ų141139.3 Ų139.374%0.73876%0.759SS**  trans-138.289.3162.7-76.3174000108.7L122 E126L122-L124 VanDerWaalsContact C-N 3.31Å; L122-L124 HydrophobicContact CD2-CD1 4.18Å; L122-L124 PolarHBondContact O-N 3.31Å; L124-E126 PolarHBondContact O-N 3.33Å
125T26Very low25.7Very low142 Ų142137.9 Ų137.987%0.87176%0.757SS**THydrogen-bonded Turntrans-71.425-177.937.80000115.3
126E28.4Very low26.6Very low172 Ų172138 Ų13880%0.80476%0.757SS**THydrogen-bonded Turntrans-126.2-0.9-171.7-79.4-176.6169.800117.6L124L124-E126 PolarHBondContact O-N 3.33Å
127N25Very low27.5Very low124 Ų124139.2 Ų139.266%0.66376%0.759SS**  trans-119.637.5-178.2-76.3-19.5000115.1T129 V130N127-T129 PolarHBondContact O-N 3.21Å; N127-V130 PolarHBondContact O-N 3.44Å
128M23.4Very low29Very low181 Ų181136 Ų13689%0.89275%0.745SS**THydrogen-bonded Turntrans-68.70.5-179.6-121.6-167.681.600115.2
129T27.9Very low30.8Very low123 Ų123132.4 Ų132.476%0.75573%0.731SS**THydrogen-bonded Turntrans-92.9-18.3176.547.30000114N127N127-T129 PolarHBondContact O-N 3.21Å
130V27Very low32.7Very low91 Ų91126.2 Ų126.255%0.55270%0.697SS**THydrogen-bonded Turntrans-96.2-15.3-172.1-174.30000113.6N127 K132 T133N127-V130 PolarHBondContact O-N 3.44Å; V130-K132 PolarHBondContact O-N 2.86Å; V130-T133 PolarHBondContact O-OG1 3.33Å
131V25.1Very low34.8Very low112 Ų112127.6 Ų127.668%0.67970%0.703SS**G310 helixtrans-84.3-9.9-174.5-174.20000113.5T133V131-T133 PolarHBondContact O-N 3.07Å
132K25.3Very low37.1Very low198 Ų198122 Ų12286%0.86167%0.672SS**G310 helixtrans-69.8-10.1172.8-91.8-174.6176.1178.60114.2V130V130-K132 PolarHBondContact O-N 2.86Å
133T29.5Very low39.9Very low110 Ų110116.2 Ų116.268%0.67564%0.639SS**G310 helixtrans-99.65.7-173.221.60000115.7V130 V131V130-T133 PolarHBondContact O-OG1 3.33Å; V131-T133 PolarHBondContact O-N 3.07Å
134L29.5Very low42.6Very low154 Ų154113.8 Ų113.881%0.80663%0.626SS**  trans-128.920.1-176.8-69.1173.4000115.4
135L33.1Very low45.5Very low144 Ų144109.3 Ų109.375%0.75461%0.607SS**SBendtrans-75.4129.4160.4-94.396.9000108.4D137L135-D137 PolarHBondContact O-N 2.97Å
136P41.4Very low48.3Very low117 Ų117102.5 Ų102.576%0.7657%0.565SS**PPolyproline II helixtrans-51.8137.3166.7-19.429.9000108.7
137D40.3Very low51Low149 Ų14996.3 Ų96.380%0.79754%0.539SS*.PPolyproline II helixtrans-50.5140.6172.9-79-38.8000109.4L135L135-D137 PolarHBondContact O-N 2.97Å
138P54.8Low53.9Low56 Ų5694.9 Ų94.936%0.36454%0.539SS..PPolyproline II helixtrans-53.1137.5179.119.6-30.2000109.7F140 Y143P138-F140 PolarHBondContact O-N 3.12Å; P138-Y143 HydrophobicContact CB-CD1 4.34Å; P138-Y143 HydrophobicContact CB-CG 4.29Å
139P60.3Low56.8Low79 Ų7986.9 Ų86.951%0.51350%0.501SS..SBendtrans-60.8-16.7-170.820.9-31.9000113.6Y143 I159P139-Y143 HydrophobicContact CG-CD2 3.55Å; P139-Y143 HydrophobicContact CG-CE2 3.98Å; P139-Y143 HydrophobicContact CG-CG 4.13Å; P139-I159 HydrophobicContact CB-CB 4.42Å; P139-I159 HydrophobicContact CB-CD1 4.13Å; P139-I159 HydrophobicContact CB-CG2 3.96Å; P139-I159 HydrophobicContact CG-CB 4.43Å; P139-I159 HydrophobicContact CG-CD1 3.5Å; P139-I159 HydrophobicContact CG-CG2 3.83Å
140F64.7Low59.7Low13 Ų1382.3 Ų82.36%0.05747%0.471CS..SBendtrans-152.1159.2166.961.4-82.4000110.4P138 E142 Y143 C146 I159 L228 F231P138-F140 PolarHBondContact O-N 3.12Å; F140-E142 HydrophobicContact CD2-CB 3.76Å; F140-E142 HydrophobicContact CE2-CB 3.65Å; F140-E142 PolarHBondContact O-N 3.49Å; F140-E142 VanDerWaalsContact O-N 3.1Å; F140-Y143 HydrophobicContact CD1-CD2 4.25Å; F140-Y143 AromaticContact CE1-CD2 3.62Å; F140-Y143 HydrophobicContact CE1-CD2 3.62Å; F140-Y143 HydrophobicContact CE1-CG 4.26Å; F140-Y143 VanDerWaalsContact CZ-CA 3.49Å; F140-Y143 HydrophobicContact CZ-CD2 4.15Å; F140-Y143 WeakPolarHBondContact O-CB 3.37Å; F140-Y143 PolarHBondContact O-N 3.17Å; F140-C146 HydrophobicContact CE2-CB 4.35Å; F140-C146 HydrophobicContact CZ-CB 4.08Å; F140-I159 HydrophobicContact CD1-CG2 3.49Å; F140-I159 VanDerWaalsContact CD1-CG2 3.49Å; F140-I159 HydrophobicContact CE1-CG2 3.41Å; F140-I159 VanDerWaalsContact CE1-CG2 3.41Å; F140-L228 HydrophobicContact CE2-CD2 3.64Å; F140-L228 HydrophobicContact CZ-CD2 4.05Å; F140-F231 HydrophobicContact CB-CD2 4.38Å; F140-F231 HydrophobicContact CB-CE2 3.92Å; F140-F231 HydrophobicContact CB-CZ 4.11Å
141S70.2Confident62.8Low104 Ų10479.4 Ų79.473%0.72745%0.454SS*.THydrogen-bonded Turntrans-54.7-32.8-174.632.80000114.2
142E73.9Confident65.8Low30 Ų3077.4 Ų77.414%0.1444%0.443CS..THydrogen-bonded Turntrans-94.14.9-177.3-67.774.8-163.800114.1F140 N144 S145 C146 K227F140-E142 HydrophobicContact CD2-CB 3.76Å; F140-E142 HydrophobicContact CE2-CB 3.65Å; F140-E142 PolarHBondContact O-N 3.49Å; F140-E142 VanDerWaalsContact O-N 3.1Å; E142-N144 PolarHBondContact O-N 2.84Å; E142-S145 CarbonylContact O-C 3.58Å; E142-S145 WeakPolarHBondContact O-CA 3.19Å; E142-S145 WeakPolarHBondContact O-CB 3.26Å; E142-S145 PolarHBondContact O-N 3.48Å; E142-C146 WeakPolarHBondContact O-CB 3.38Å; E142-C146 PolarHBondContact O-N 3Å; E142-K227 HydrophobicContact CG-CB 3.86Å; E142-K227 HydrophobicContact CG-CD 3.58Å; E142-K227 HydrophobicContact CG-CG 4.38Å
143Y81.1Confident69Low38 Ų3874.7 Ų74.715%0.14943%0.433CS..Hα-helixtrans-54.1-51.1-173.4-178.8-91000112.2P138 P139 F140 S145 C146 V147 A155 N156 I159P138-Y143 HydrophobicContact CB-CD1 4.34Å; P138-Y143 HydrophobicContact CB-CG 4.29Å; P139-Y143 HydrophobicContact CG-CD2 3.55Å; P139-Y143 HydrophobicContact CG-CE2 3.98Å; P139-Y143 HydrophobicContact CG-CG 4.13Å; F140-Y143 HydrophobicContact CD1-CD2 4.25Å; F140-Y143 AromaticContact CE1-CD2 3.62Å; F140-Y143 HydrophobicContact CE1-CD2 3.62Å; F140-Y143 HydrophobicContact CE1-CG 4.26Å; F140-Y143 VanDerWaalsContact CZ-CA 3.49Å; F140-Y143 HydrophobicContact CZ-CD2 4.15Å; F140-Y143 WeakPolarHBondContact O-CB 3.37Å; F140-Y143 PolarHBondContact O-N 3.17Å; Y143-S145 VanDerWaalsContact C-N 3.28Å; Y143-S145 PolarHBondContact O-N 3.33Å; Y143-C146 WeakPolarHBondContact O-CB 3.34Å; Y143-C146 PolarHBondContact O-N 3.4Å; Y143-C146 VanDerWaalsContact O-N 3.08Å; Y143-V147 HydrophobicContact CD1-CG2 4.03Å; Y143-V147 HydrophobicContact CE1-CG2 3.66Å; Y143-V147 WeakPolarHBondContact O-CG2 3.05Å; Y143-V147 PolarHBondContact O-N 3.17Å; Y143-A155 HydrophobicContact CD2-CB 3.95Å; Y143-A155 HydrophobicContact CE2-CB 3.62Å; Y143-N156 PolarHBondContact OH-OD1 3.22Å; Y143-I159 HydrophobicContact CE2-CD1 4.03Å
144N83.5Confident71.9Confident111 Ų11170 Ų7059%0.59440%0.404SS*.Hα-helixtrans-64.8-31.8178.3-67.6-31.6000112.8E142 S148E142-N144 PolarHBondContact O-N 2.84Å; N144-S148 WeakPolarHBondContact O-CB 3.47Å; N144-S148 PolarHBondContact O-N 3.04Å; N144-S148 PolarHBondContact O-OG 3.28Å
145S84.8Confident74.8Confident47 Ų4762.7 Ų62.733%0.32937%0.365SS..Hα-helixtrans-70.4-37.1173.5-60.50000111.4E142 Y143 S148 A149E142-S145 CarbonylContact O-C 3.58Å; E142-S145 WeakPolarHBondContact O-CA 3.19Å; E142-S145 WeakPolarHBondContact O-CB 3.26Å; E142-S145 PolarHBondContact O-N 3.48Å; Y143-S145 VanDerWaalsContact C-N 3.28Å; Y143-S145 PolarHBondContact O-N 3.33Å; S145-S148 WeakPolarHBondContact CA-OG 3.44Å; S145-S148 PolarHBondContact O-OG 3.14Å; S145-A149 WeakPolarHBondContact O-CB 3.38Å; S145-A149 PolarHBondContact O-N 3.14Å
146C84.8Confident77.3Confident0 Ų059.4 Ų59.40%035%0.348CS..Hα-helixtrans-67-43.7175.7-173.40000111.3F140 E142 Y143 A149 F150 A155 L228F140-C146 HydrophobicContact CE2-CB 4.35Å; F140-C146 HydrophobicContact CZ-CB 4.08Å; E142-C146 WeakPolarHBondContact O-CB 3.38Å; E142-C146 PolarHBondContact O-N 3Å; Y143-C146 WeakPolarHBondContact O-CB 3.34Å; Y143-C146 PolarHBondContact O-N 3.4Å; Y143-C146 VanDerWaalsContact O-N 3.08Å; C146-A149 PolarHBondContact O-N 3.46Å; C146-F150 PolarHBondContact O-N 3.02Å; C146-A155 HydrophobicContact CB-CB 4.24Å; C146-L228 HydrophobicContact CB-CD2 4.34Å
147V86.7Confident79.7Confident42 Ų4254.1 Ų54.126%0.25532%0.316SS..Hα-helixtrans-61.3-45.4176172.50000111.1Y143 V152 A155Y143-V147 HydrophobicContact CD1-CG2 4.03Å; Y143-V147 HydrophobicContact CE1-CG2 3.66Å; Y143-V147 WeakPolarHBondContact O-CG2 3.05Å; Y143-V147 PolarHBondContact O-N 3.17Å; V147-V152 HydrophobicContact CG1-CG2 3.62Å; V147-V152 HydrophobicContact CG2-CG2 4.47Å; V147-A155 HydrophobicContact CG2-CB 3.52Å
148S84.2Confident82Confident94 Ų9447.2 Ų47.266%0.65728%0.279SS*.Hα-helixtrans-69.9-31.7179.850.60000113.7N144 S145N144-S148 WeakPolarHBondContact O-CB 3.47Å; N144-S148 PolarHBondContact O-N 3.04Å; N144-S148 PolarHBondContact O-OG 3.28Å; S145-S148 WeakPolarHBondContact CA-OG 3.44Å; S145-S148 PolarHBondContact O-OG 3.14Å
149A85.6Confident83.5Confident12 Ų1247.8 Ų47.810%0.09928%0.278CS..Hα-helixtrans-79.6-47.6176.400000112.9S145 C146 Y221 I224S145-A149 WeakPolarHBondContact O-CB 3.38Å; S145-A149 PolarHBondContact O-N 3.14Å; C146-A149 PolarHBondContact O-N 3.46Å; A149-Y221 HydrophobicContact CB-CD1 4.28Å; A149-Y221 HydrophobicContact CB-CE1 4.3Å; A149-Y221 WeakPolarHBondContact O-CE1 3.05Å; A149-Y221 PolarHBondContact O-OH 3.4Å; A149-I224 HydrophobicContact CB-CD1 3.61Å; A149-I224 HydrophobicContact CB-CG2 4.24Å
150F89.2Confident84.8Confident27 Ų2745.4 Ų45.412%0.11826%0.263CS..THydrogen-bonded Turntrans-108.7-84.3-169.6-58-66000111.9C146 I154 A173 L176 T177 Y221 I224 M225 L228C146-F150 PolarHBondContact O-N 3.02Å; F150-I154 HydrophobicContact CB-CB 4.14Å; F150-I154 HydrophobicContact CB-CD1 3.75Å; F150-I154 HydrophobicContact CB-CG2 4.06Å; F150-I154 HydrophobicContact CD2-CG2 4.48Å; F150-I154 HydrophobicContact CG-CG2 4.43Å; F150-A173 HydrophobicContact CD1-CB 4.43Å; F150-A173 HydrophobicContact CD2-CB 4.3Å; F150-A173 HydrophobicContact CE1-CB 4.29Å; F150-A173 WeakPolarHBondContact CE1-O 3.36Å; F150-A173 HydrophobicContact CE2-CB 4.15Å; F150-A173 HydrophobicContact CG-CB 4.43Å; F150-A173 HydrophobicContact CZ-CB 4.15Å; F150-L176 HydrophobicContact CD1-CB 4.06Å; F150-L176 HydrophobicContact CD1-CD1 4.13Å; F150-L176 HydrophobicContact CE1-CB 4.23Å; F150-T177 VanDerWaalsContact CE1-OG1 3.25Å; F150-T177 WeakPolarHBondContact CE1-OG1 3.44Å; F150-T177 VanDerWaalsContact CZ-OG1 3.23Å; F150-T177 WeakPolarHBondContact CZ-OG1 3.41Å; F150-Y221 HydrophobicContact CD1-CD1 4.44Å; F150-Y221 AromaticContact CE1-CD1 4Å; F150-Y221 HydrophobicContact CE1-CD1 4Å; F150-I224 HydrophobicContact CE2-CG2 4.06Å; F150-M225 HydrophobicContact CE2-SD 4.46Å; F150-M225 HydrophobicContact CZ-SD 4.02Å; F150-L228 HydrophobicContact CD2-CD1 4.28Å; F150-L228 HydrophobicContact CE2-CD1 3.72Å
151S90.3Very high85.7Confident30 Ų3049.5 Ų49.521%0.2129%0.292CS..  trans-171.6167.9175.881.70000110.4E153 I154 A155S151-E153 VanDerWaalsContact C-N 3.32Å; S151-E153 WeakPolarHBondContact CB-OE2 3.45Å; S151-E153 PolarHBondContact OG-N 2.97Å; S151-E153 PolarHBondContact OG-OE2 3.47Å; S151-I154 PolarHBondContact O-N 3.44Å; S151-I154 PolarHBondContact OG-N 3.49Å; S151-A155 PolarHBondContact O-N 3.03Å
152V89.1Confident86.4Confident71 Ų7147.8 Ų47.843%0.4328%0.275SS..Hα-helixtrans-64.3-38.7174.5178.20000111V147 I154 A155 N156V147-V152 HydrophobicContact CG1-CG2 3.62Å; V147-V152 HydrophobicContact CG2-CG2 4.47Å; V152-I154 PolarHBondContact O-N 2.96Å; V152-A155 PolarHBondContact O-N 3.22Å; V152-N156 WeakPolarHBondContact O-CB 3.31Å; V152-N156 PolarHBondContact O-N 3.17Å
153E91.8Very high87Confident140 Ų14051.4 Ų51.465%0.65429%0.287SS*.Hα-helixtrans-63.6-40.3180-56.179.4-17400111.7S151 G157S151-E153 VanDerWaalsContact C-N 3.32Å; S151-E153 WeakPolarHBondContact CB-OE2 3.45Å; S151-E153 PolarHBondContact OG-N 2.97Å; S151-E153 PolarHBondContact OG-OE2 3.47Å; E153-G157 PolarHBondContact O-N 3.11Å
154I90.7Very high87.5Confident13 Ų1352.5 Ų52.57%0.06730%0.298CS..Hα-helixtrans-68.3-44.3177.2-70.6169.1000110.3F150 S151 V152 N156 G157 L158 K172 A173 L176F150-I154 HydrophobicContact CB-CB 4.14Å; F150-I154 HydrophobicContact CB-CD1 3.75Å; F150-I154 HydrophobicContact CB-CG2 4.06Å; F150-I154 HydrophobicContact CD2-CG2 4.48Å; F150-I154 HydrophobicContact CG-CG2 4.43Å; S151-I154 PolarHBondContact O-N 3.44Å; S151-I154 PolarHBondContact OG-N 3.49Å; V152-I154 PolarHBondContact O-N 2.96Å; I154-N156 PolarHBondContact O-N 2.87Å; I154-G157 PolarHBondContact O-N 3.36Å; I154-L158 HydrophobicContact CG2-CD1 4.3Å; I154-L158 WeakPolarHBondContact O-CG 3.37Å; I154-L158 PolarHBondContact O-N 3.38Å; I154-K172 HydrophobicContact CD1-CB 4.47Å; I154-K172 HydrophobicContact CD1-CG 3.94Å; I154-K172 HydrophobicContact CG1-CG 4.39Å; I154-A173 HydrophobicContact CG2-CB 3.93Å; I154-L176 HydrophobicContact CD1-CD1 3.52Å
155A89.8Confident87.9Confident0 Ų049.9 Ų49.90%029%0.286CS..Hα-helixtrans-62.4-43.5178.100000112.1Y143 C146 V147 S151 V152 L158Y143-A155 HydrophobicContact CD2-CB 3.95Å; Y143-A155 HydrophobicContact CE2-CB 3.62Å; C146-A155 HydrophobicContact CB-CB 4.24Å; V147-A155 HydrophobicContact CG2-CB 3.52Å; S151-A155 PolarHBondContact O-N 3.03Å; V152-A155 PolarHBondContact O-N 3.22Å; A155-L158 PolarHBondContact O-N 2.98Å
156N87.4Confident88.1Confident74 Ų7448.7 Ų48.740%0.39627%0.274SS..Hα-helixtrans-67.4-35.6174.7-73.6-13.7000112.3Y143 V152 I154 I159 S160Y143-N156 PolarHBondContact OH-OD1 3.22Å; V152-N156 WeakPolarHBondContact O-CB 3.31Å; V152-N156 PolarHBondContact O-N 3.17Å; I154-N156 PolarHBondContact O-N 2.87Å; N156-I159 WeakPolarHBondContact O-CG1 3.28Å; N156-I159 PolarHBondContact O-N 3.01Å; N156-S160 PolarHBondContact O-N 3.3Å
157G90.2Very high88.4Confident7 Ų750.8 Ų50.87%0.07228%0.284CS..Hα-helixtrans-64.5-4017600000112.4E153 I154 I159 S160 R166E153-G157 PolarHBondContact O-N 3.11Å; I154-G157 PolarHBondContact O-N 3.36Å; G157-I159 VanDerWaalsContact C-N 3.26Å; G157-I159 PolarHBondContact O-N 3.48Å; G157-S160 VanDerWaalsContact O-CB 3.31Å; G157-S160 WeakPolarHBondContact O-CB 3.33Å; G157-S160 PolarHBondContact O-N 2.98Å; G157-R166 VanDerWaalsContact O-CA 3.28Å; G157-R166 WeakPolarHBondContact O-CA 3.37Å; G157-R166 WeakPolarHBondContact O-CG 3.39Å; G157-R166 PolarHBondContact O-N 2.88Å
158L89Confident88.7Confident4 Ų456 Ų562%0.02130%0.3CS..Hα-helixtrans-67.3-21.3178.8-73.2176.8000114.4I154 A155 R166 A169 L170 L228 L232I154-L158 HydrophobicContact CG2-CD1 4.3Å; I154-L158 WeakPolarHBondContact O-CG 3.37Å; I154-L158 PolarHBondContact O-N 3.38Å; A155-L158 PolarHBondContact O-N 2.98Å; L158-R166 WeakPolarHBondContact O-CD 3.47Å; L158-R166 WeakPolarHBondContact O-CG 3.4Å; L158-A169 HydrophobicContact CD2-CB 3.93Å; L158-A169 HydrophobicContact CG-CB 3.94Å; L158-L170 HydrophobicContact CD2-CB 4Å; L158-L228 HydrophobicContact CD1-CD1 3.86Å; L158-L228 HydrophobicContact CD1-CD2 3.97Å; L158-L228 HydrophobicContact CD1-CG 4.44Å; L158-L232 HydrophobicContact CD2-CD1 3.82Å; L158-L232 HydrophobicContact CD2-CD2 4.42Å
159I86.5Confident89.2Confident67 Ų6751.7 Ų51.734%0.34427%0.27SS..THydrogen-bonded Turntrans-102.8-0.2177.863.2175.2000112.9P139 F140 Y143 N156 G157P139-I159 HydrophobicContact CB-CB 4.42Å; P139-I159 HydrophobicContact CB-CD1 4.13Å; P139-I159 HydrophobicContact CB-CG2 3.96Å; P139-I159 HydrophobicContact CG-CB 4.43Å; P139-I159 HydrophobicContact CG-CD1 3.5Å; P139-I159 HydrophobicContact CG-CG2 3.83Å; F140-I159 HydrophobicContact CD1-CG2 3.49Å; F140-I159 VanDerWaalsContact CD1-CG2 3.49Å; F140-I159 HydrophobicContact CE1-CG2 3.41Å; F140-I159 VanDerWaalsContact CE1-CG2 3.41Å; Y143-I159 HydrophobicContact CE2-CD1 4.03Å; N156-I159 WeakPolarHBondContact O-CG1 3.28Å; N156-I159 PolarHBondContact O-N 3.01Å; G157-I159 VanDerWaalsContact C-N 3.26Å; G157-I159 PolarHBondContact O-N 3.48Å
160S87Confident89.7Confident30 Ų3051.2 Ų51.221%0.2127%0.266CS..  trans-56.9143.9179.9-177.50000110.8N156 G157 D162 R166N156-S160 PolarHBondContact O-N 3.3Å; G157-S160 VanDerWaalsContact O-CB 3.31Å; G157-S160 WeakPolarHBondContact O-CB 3.33Å; G157-S160 PolarHBondContact O-N 2.98Å; S160-D162 PolarHBondContact O-N 3.22Å; S160-D162 PolarHBondContact OG-N 3.4Å; S160-R166 VanDerWaalsContact O-CD 3.22Å; S160-R166 WeakPolarHBondContact O-CD 3.46Å; S160-R166 VanDerWaalsContact O-CG 3.25Å; S160-R166 WeakPolarHBondContact O-CG 3.39Å; S160-R166 PolarHBondContact O-NH1 3.18Å
161C84.6Confident90Very high98 Ų9854.3 Ų54.366%0.66228%0.281SS*.SBendtrans-65.9-29.6170.757.20000111.7W163 R166 L297C161-W163 PolarHBondContact O-N 2.69Å; C161-R166 PolarHBondContact O-NH1 3.33Å; C161-L297 HydrophobicContact CB-CD1 3.93Å
162D84.9Confident90.2Very high68 Ų6856.9 Ų56.936%0.36429%0.288SS..SBendtrans-75.7115.3174.3-173.5-11.6000110.6S160 T164 V165 R166S160-D162 PolarHBondContact O-N 3.22Å; S160-D162 PolarHBondContact OG-N 3.4Å; D162-T164 PolarHBondContact O-N 2.94Å; D162-T164 WeakPolarHBondContact OD1-CB 3.46Å; D162-T164 PolarHBondContact OD1-N 2.74Å; D162-T164 PolarHBondContact OD1-OG1 2.76Å; D162-T164 PolarHBondContact OD2-OG1 2.97Å; D162-T164 VanDerWaalsContact OD2-OG1 3.05Å; D162-V165 HydrophobicContact CB-CB 4.29Å; D162-V165 HydrophobicContact CB-CG2 3.89Å; D162-V165 PolarHBondContact O-N 3.25Å; D162-R166 PolarHBondContact O-N 3.44Å; D162-R166 VanDerWaalsContact O-N 3.14Å
163W85.7Confident90.5Very high107 Ų10753.5 Ų53.541%0.40527%0.268SS..Hα-helixtrans-65.7-26.8-178.774.6-92.1000112.6C161 V165 R166 Q167 V237 A239 I240C161-W163 PolarHBondContact O-N 2.69Å; W163-V165 VanDerWaalsContact C-N 3.35Å; W163-R166 PolarHBondContact O-N 3.33Å; W163-Q167 HydrophobicContact CE3-CB 4.47Å; W163-Q167 VanDerWaalsContact CZ3-OE1 3.23Å; W163-Q167 VanDerWaalsContact O-CB 3.3Å; W163-Q167 WeakPolarHBondContact O-CB 3.42Å; W163-Q167 PolarHBondContact O-N 3.16Å; W163-V237 HydrophobicContact CB-CB 4.3Å; W163-V237 HydrophobicContact CB-CG1 4.07Å; W163-V237 HydrophobicContact CB-CG2 3.91Å; W163-V237 HydrophobicContact CD2-CG1 4.15Å; W163-V237 HydrophobicContact CE3-CG1 4.3Å; W163-V237 HydrophobicContact CG-CG1 4.06Å; W163-V237 HydrophobicContact CG-CG2 4.46Å; W163-A239 HydrophobicContact CE3-CB 3.93Å; W163-A239 HydrophobicContact CH2-CB 4.3Å; W163-A239 HydrophobicContact CZ3-CB 3.59Å; W163-I240 HydrophobicContact CB-CD1 3.72Å; W163-I240 HydrophobicContact CB-CG1 4.46Å
164T91.8Very high90.6Very high60 Ų6047 Ų4737%0.36824%0.238SC..Hα-helixtrans-69.2-36.8177.467.50000111D162 Q167 Y168D162-T164 PolarHBondContact O-N 2.94Å; D162-T164 WeakPolarHBondContact OD1-CB 3.46Å; D162-T164 PolarHBondContact OD1-N 2.74Å; D162-T164 PolarHBondContact OD1-OG1 2.76Å; D162-T164 PolarHBondContact OD2-OG1 2.97Å; D162-T164 VanDerWaalsContact OD2-OG1 3.05Å; T164-Q167 WeakPolarHBondContact O-CB 3.45Å; T164-Q167 PolarHBondContact O-N 3.39Å; T164-Y168 PolarHBondContact O-N 3.18Å
165V90.9Very high90.8Very high56 Ų5651.7 Ų51.734%0.33926%0.259SS..Hα-helixtrans-67.7-43.6173.3-179.90000110.6D162 W163 Q167 Y168 A169D162-V165 HydrophobicContact CB-CB 4.29Å; D162-V165 HydrophobicContact CB-CG2 3.89Å; D162-V165 PolarHBondContact O-N 3.25Å; W163-V165 VanDerWaalsContact C-N 3.35Å; V165-Q167 VanDerWaalsContact C-N 3.31Å; V165-Q167 PolarHBondContact O-N 3.25Å; V165-Y168 PolarHBondContact O-N 3.32Å; V165-A169 WeakPolarHBondContact O-CB 3.43Å; V165-A169 PolarHBondContact O-N 3.4Å
166R89.7Confident90.9Very high22 Ų2254.2 Ų54.28%0.08327%0.272CS..Hα-helixtrans-59.4-43.1173.8-63.8-158.1-63.1-76.14.7111.6G157 L158 S160 C161 D162 W163 A169 L170 D235 I240G157-R166 VanDerWaalsContact O-CA 3.28Å; G157-R166 WeakPolarHBondContact O-CA 3.37Å; G157-R166 WeakPolarHBondContact O-CG 3.39Å; G157-R166 PolarHBondContact O-N 2.88Å; L158-R166 WeakPolarHBondContact O-CD 3.47Å; L158-R166 WeakPolarHBondContact O-CG 3.4Å; S160-R166 VanDerWaalsContact O-CD 3.22Å; S160-R166 WeakPolarHBondContact O-CD 3.46Å; S160-R166 VanDerWaalsContact O-CG 3.25Å; S160-R166 WeakPolarHBondContact O-CG 3.39Å; S160-R166 PolarHBondContact O-NH1 3.18Å; C161-R166 PolarHBondContact O-NH1 3.33Å; D162-R166 PolarHBondContact O-N 3.44Å; D162-R166 VanDerWaalsContact O-N 3.14Å; W163-R166 PolarHBondContact O-N 3.33Å; R166-A169 PolarHBondContact O-N 3.41Å; R166-L170 WeakPolarHBondContact O-CB 3.27Å; R166-L170 PolarHBondContact O-N 3.08Å; R166-D235 IonicContact CZ-OD1 3.62Å; R166-D235 IonicContact CZ-OD2 3.82Å; R166-D235 IonicContact NE-OD1 2.92Å; R166-D235 IonicContact NE-OD2 3.85Å; R166-D235 PolarHBondContact NE-OD2 3.1Å; R166-D235 IonicContact NH2-OD1 2.58Å; R166-D235 PolarHBondContact NH2-OD1 2.7Å; R166-D235 IonicContact NH2-OD2 2.85Å; R166-D235 PolarHBondContact NH2-OD2 3.23Å; R166-I240 HydrophobicContact CB-CD1 3.62Å; R166-I240 HydrophobicContact CG-CD1 4.35Å; R166-I240 VanDerWaalsContact NH2-CD1 3.34Å
167Q91.5Very high91.2Very high44 Ų4450.7 Ų50.721%0.20625%0.253CS..Hα-helixtrans-60.5-50.2177-172-174.119.300111.5W163 T164 V165 A169 L170 Q171 D243W163-Q167 HydrophobicContact CE3-CB 4.47Å; W163-Q167 VanDerWaalsContact CZ3-OE1 3.23Å; W163-Q167 VanDerWaalsContact O-CB 3.3Å; W163-Q167 WeakPolarHBondContact O-CB 3.42Å; W163-Q167 PolarHBondContact O-N 3.16Å; T164-Q167 WeakPolarHBondContact O-CB 3.45Å; T164-Q167 PolarHBondContact O-N 3.39Å; V165-Q167 VanDerWaalsContact C-N 3.31Å; V165-Q167 PolarHBondContact O-N 3.25Å; Q167-A169 VanDerWaalsContact C-N 3.35Å; Q167-A169 PolarHBondContact O-N 3.1Å; Q167-L170 PolarHBondContact O-N 3.11Å; Q167-Q171 WeakPolarHBondContact O-CG 3.3Å; Q167-Q171 PolarHBondContact O-N 3.47Å; Q167-D243 WeakPolarHBondContact CG-OD2 3.49Å; Q167-D243 PolarHBondContact NE2-OD2 3.36Å
168Y93.5Very high91.2Very high151 Ų15151.1 Ų51.159%0.59225%0.254SS*.Hα-helixtrans-59-45.7176.9175.4-96.5000111.8T164 V165 L170 Q171 K172T164-Y168 PolarHBondContact O-N 3.18Å; V165-Y168 PolarHBondContact O-N 3.32Å; Y168-L170 PolarHBondContact O-N 2.84Å; Y168-Q171 PolarHBondContact O-N 2.9Å; Y168-K172 WeakPolarHBondContact O-CB 3.16Å; Y168-K172 PolarHBondContact O-N 2.87Å
169A94.6Very high91.3Very high4 Ų452.5 Ų52.53%0.03326%0.264CS..Hα-helixtrans-62.1-42.4179.200000112L158 V165 R166 Q167 K172 A173L158-A169 HydrophobicContact CD2-CB 3.93Å; L158-A169 HydrophobicContact CG-CB 3.94Å; V165-A169 WeakPolarHBondContact O-CB 3.43Å; V165-A169 PolarHBondContact O-N 3.4Å; R166-A169 PolarHBondContact O-N 3.41Å; Q167-A169 VanDerWaalsContact C-N 3.35Å; Q167-A169 PolarHBondContact O-N 3.1Å; A169-K172 PolarHBondContact O-N 3.49Å; A169-A173 WeakPolarHBondContact O-CB 3.19Å; A169-A173 PolarHBondContact O-N 3.43Å
170L95.4Very high91.4Very high2 Ų251.6 Ų51.61%0.0126%0.258CS..Hα-helixtrans-61.5-47.1174.6167.862.7000111.9L158 R166 Q167 Y168 K172 A173 T174 M225 L232 D243 A244 A247L158-L170 HydrophobicContact CD2-CB 4Å; R166-L170 WeakPolarHBondContact O-CB 3.27Å; R166-L170 PolarHBondContact O-N 3.08Å; Q167-L170 PolarHBondContact O-N 3.11Å; Y168-L170 PolarHBondContact O-N 2.84Å; L170-K172 VanDerWaalsContact C-N 3.32Å; L170-K172 PolarHBondContact O-N 3.11Å; L170-A173 PolarHBondContact O-N 3.24Å; L170-T174 WeakPolarHBondContact O-CB 3.3Å; L170-T174 PolarHBondContact O-N 3.5Å; L170-T174 PolarHBondContact O-OG1 2.96Å; L170-M225 HydrophobicContact CD1-CE 3.48Å; L170-M225 VanDerWaalsContact CD1-CE 3.48Å; L170-L232 HydrophobicContact CB-CD1 4.16Å; L170-L232 HydrophobicContact CD1-CD1 3.64Å; L170-L232 HydrophobicContact CD2-CD1 4.11Å; L170-L232 HydrophobicContact CG-CD1 4.16Å; L170-D243 HydrophobicContact CD2-CB 3.85Å; L170-A244 HydrophobicContact CD2-CB 4.19Å; L170-A247 HydrophobicContact CD1-CB 4.14Å
171Q95.1Very high91.4Very high92 Ų9250.7 Ų50.743%0.4325%0.252SS..Hα-helixtrans-62.5-42178.1-71176.29.900111Q167 Y168 T174 H175 D243Q167-Q171 WeakPolarHBondContact O-CG 3.3Å; Q167-Q171 PolarHBondContact O-N 3.47Å; Y168-Q171 PolarHBondContact O-N 2.9Å; Q171-T174 WeakPolarHBondContact O-CB 3.25Å; Q171-T174 PolarHBondContact O-N 3.5Å; Q171-H175 WeakPolarHBondContact O-CB 3.33Å; Q171-H175 PolarHBondContact O-N 3.34Å; Q171-D243 PolarHBondContact NE2-OD2 2.72Å
172K94.9Very high91.4Very high84 Ų8449 Ų4937%0.36524%0.235SC..Hα-helixtrans-64.7-44.9177.3-169.367179.1-176.10112.1I154 Y168 A169 L170 T174 H175 L176I154-K172 HydrophobicContact CD1-CB 4.47Å; I154-K172 HydrophobicContact CD1-CG 3.94Å; I154-K172 HydrophobicContact CG1-CG 4.39Å; Y168-K172 WeakPolarHBondContact O-CB 3.16Å; Y168-K172 PolarHBondContact O-N 2.87Å; A169-K172 PolarHBondContact O-N 3.49Å; L170-K172 VanDerWaalsContact C-N 3.32Å; L170-K172 PolarHBondContact O-N 3.11Å; K172-T174 VanDerWaalsContact C-N 3.31Å; K172-T174 PolarHBondContact O-N 3.07Å; K172-H175 PolarHBondContact O-N 3.21Å; K172-L176 HydrophobicContact CG-CD1 4.48Å; K172-L176 WeakPolarHBondContact O-CG 3.48Å; K172-L176 PolarHBondContact O-N 2.91Å
173A94.7Very high91.3Very high0 Ų049.6 Ų49.60%024%0.238CC..Hα-helixtrans-60.3-41.4175.400000111.8F150 I154 A169 L170 L176 T177 M225F150-A173 HydrophobicContact CD1-CB 4.43Å; F150-A173 HydrophobicContact CD2-CB 4.3Å; F150-A173 HydrophobicContact CE1-CB 4.29Å; F150-A173 WeakPolarHBondContact CE1-O 3.36Å; F150-A173 HydrophobicContact CE2-CB 4.15Å; F150-A173 HydrophobicContact CG-CB 4.43Å; F150-A173 HydrophobicContact CZ-CB 4.15Å; I154-A173 HydrophobicContact CG2-CB 3.93Å; A169-A173 WeakPolarHBondContact O-CB 3.19Å; A169-A173 PolarHBondContact O-N 3.43Å; L170-A173 PolarHBondContact O-N 3.24Å; A173-L176 PolarHBondContact O-N 2.95Å; A173-T177 WeakPolarHBondContact O-CB 3.27Å; A173-T177 PolarHBondContact O-N 3.28Å; A173-T177 PolarHBondContact O-OG1 2.75Å; A173-M225 HydrophobicContact CB-CE 4.32Å; A173-M225 HydrophobicContact CB-SD 3.91Å
174T95.3Very high90.9Very high4 Ų445.7 Ų45.73%0.02523%0.228CC..Hα-helixtrans-61.7-50.2176.3-54.60000111L170 Q171 K172 L176 T177 I178 M225 A247L170-T174 WeakPolarHBondContact O-CB 3.3Å; L170-T174 PolarHBondContact O-N 3.5Å; L170-T174 PolarHBondContact O-OG1 2.96Å; Q171-T174 WeakPolarHBondContact O-CB 3.25Å; Q171-T174 PolarHBondContact O-N 3.5Å; K172-T174 VanDerWaalsContact C-N 3.31Å; K172-T174 PolarHBondContact O-N 3.07Å; T174-L176 PolarHBondContact O-N 3.25Å; T174-T177 WeakPolarHBondContact O-CB 3.41Å; T174-T177 PolarHBondContact O-N 3.16Å; T174-I178 HydrophobicContact CG2-CD1 3.91Å; T174-I178 WeakPolarHBondContact O-CG1 3.39Å; T174-I178 PolarHBondContact O-N 3.42Å; T174-M225 WeakPolarHBondContact OG1-CE 3.46Å; T174-A247 HydrophobicContact CG2-CB 3.85Å; T174-A247 VanDerWaalsContact OG1-CB 3.26Å; T174-A247 WeakPolarHBondContact OG1-CB 3.33Å
175H93.8Very high90.1Very high112 Ų11246 Ų4652%0.51922%0.223SC..Hα-helixtrans-59-44.2178177.2-85.3000112.4Q171 K172 I178 S179Q171-H175 WeakPolarHBondContact O-CB 3.33Å; Q171-H175 PolarHBondContact O-N 3.34Å; K172-H175 PolarHBondContact O-N 3.21Å; H175-I178 PolarHBondContact O-N 3.05Å; H175-S179 PolarHBondContact CE1-OG 3.13Å; H175-S179 WeakPolarHBondContact O-CB 3.4Å; H175-S179 PolarHBondContact O-N 3.35Å; H175-S179 PolarHBondContact O-OG 3.39Å
176L92.5Very high89.2Confident52 Ų5248.6 Ų48.627%0.27223%0.231SC..Hα-helixtrans-63.2-43.3176.3-70.6176.7000111.3F150 I154 K172 A173 T174 I178 S179 Q180F150-L176 HydrophobicContact CD1-CB 4.06Å; F150-L176 HydrophobicContact CD1-CD1 4.13Å; F150-L176 HydrophobicContact CE1-CB 4.23Å; I154-L176 HydrophobicContact CD1-CD1 3.52Å; K172-L176 HydrophobicContact CG-CD1 4.48Å; K172-L176 WeakPolarHBondContact O-CG 3.48Å; K172-L176 PolarHBondContact O-N 2.91Å; A173-L176 PolarHBondContact O-N 2.95Å; T174-L176 PolarHBondContact O-N 3.25Å; L176-I178 PolarHBondContact O-N 3.4Å; L176-S179 PolarHBondContact O-N 2.85Å; L176-Q180 VanDerWaalsContact O-CG 3.29Å; L176-Q180 WeakPolarHBondContact O-CG 3.32Å; L176-Q180 PolarHBondContact O-N 2.83Å
177T93.2Very high87.9Confident0 Ų050 Ų500%024%0.244CC..Hα-helixtrans-60.1-47.7176.9-55.10000111.3F150 A173 T174 Q180 V181 V222 M225 L251F150-T177 VanDerWaalsContact CE1-OG1 3.25Å; F150-T177 WeakPolarHBondContact CE1-OG1 3.44Å; F150-T177 VanDerWaalsContact CZ-OG1 3.23Å; F150-T177 WeakPolarHBondContact CZ-OG1 3.41Å; A173-T177 WeakPolarHBondContact O-CB 3.27Å; A173-T177 PolarHBondContact O-N 3.28Å; A173-T177 PolarHBondContact O-OG1 2.75Å; T174-T177 WeakPolarHBondContact O-CB 3.41Å; T174-T177 PolarHBondContact O-N 3.16Å; T177-Q180 PolarHBondContact O-N 3.38Å; T177-V181 WeakPolarHBondContact O-CG2 3.43Å; T177-V181 PolarHBondContact O-N 3.2Å; T177-V222 HydrophobicContact CG2-CG2 4.29Å; T177-M225 HydrophobicContact CG2-CB 3.97Å; T177-M225 HydrophobicContact CG2-CG 4.22Å; T177-L251 HydrophobicContact CG2-CD1 3.73Å; T177-L251 HydrophobicContact CG2-CD2 4.43Å
178I91.5Very high86.3Confident16 Ų1653 Ų538%0.08226%0.262CS..Hα-helixtrans-62.4-44.9178-69.1169.2000110.6T174 H175 L176 Q180 V181 I182 E250 L251 Y254T174-I178 HydrophobicContact CG2-CD1 3.91Å; T174-I178 WeakPolarHBondContact O-CG1 3.39Å; T174-I178 PolarHBondContact O-N 3.42Å; H175-I178 PolarHBondContact O-N 3.05Å; L176-I178 PolarHBondContact O-N 3.4Å; I178-Q180 VanDerWaalsContact C-N 3.31Å; I178-Q180 PolarHBondContact O-N 2.88Å; I178-V181 PolarHBondContact O-N 3.13Å; I178-V181 VanDerWaalsContact O-N 3.16Å; I178-I182 HydrophobicContact CG2-CD1 3.81Å; I178-I182 HydrophobicContact CG2-CG1 4.44Å; I178-I182 WeakPolarHBondContact O-CG1 3.09Å; I178-I182 PolarHBondContact O-N 3.35Å; I178-E250 HydrophobicContact CD1-CB 4.12Å; I178-L251 HydrophobicContact CG1-CD1 4.32Å; I178-Y254 HydrophobicContact CB-CD2 4.47Å; I178-Y254 HydrophobicContact CD1-CD2 3.9Å; I178-Y254 HydrophobicContact CD1-CE2 4.03Å; I178-Y254 HydrophobicContact CG1-CD2 4.01Å; I178-Y254 HydrophobicContact CG2-CD1 3.92Å; I178-Y254 HydrophobicContact CG2-CD2 3.63Å; I178-Y254 HydrophobicContact CG2-CE1 4.04Å; I178-Y254 HydrophobicContact CG2-CE2 3.79Å; I178-Y254 HydrophobicContact CG2-CG 3.72Å
179S90.5Very high84.4Confident34 Ų3451.3 Ų51.324%0.23826%0.262CS..Hα-helixtrans-57.6-44.3176.7-59.90000111.4H175 L176 I182 L183H175-S179 PolarHBondContact CE1-OG 3.13Å; H175-S179 WeakPolarHBondContact O-CB 3.4Å; H175-S179 PolarHBondContact O-N 3.35Å; H175-S179 PolarHBondContact O-OG 3.39Å; L176-S179 PolarHBondContact O-N 2.85Å; S179-I182 PolarHBondContact O-N 3.35Å; S179-L183 WeakPolarHBondContact O-CB 3.37Å; S179-L183 VanDerWaalsContact O-CG 3.32Å; S179-L183 WeakPolarHBondContact O-CG 3.18Å; S179-L183 PolarHBondContact O-N 3.22Å
180Q88.3Confident81.9Confident47 Ų4757.3 Ų57.322%0.2229%0.289CS..Hα-helixtrans-65.4-39.5176.5-69.2-61.5-15.400112.6L176 T177 I178 I182 L183 A184 Y221L176-Q180 VanDerWaalsContact O-CG 3.29Å; L176-Q180 WeakPolarHBondContact O-CG 3.32Å; L176-Q180 PolarHBondContact O-N 2.83Å; T177-Q180 PolarHBondContact O-N 3.38Å; I178-Q180 VanDerWaalsContact C-N 3.31Å; I178-Q180 PolarHBondContact O-N 2.88Å; Q180-I182 VanDerWaalsContact C-N 3.3Å; Q180-I182 PolarHBondContact O-N 3.1Å; Q180-L183 PolarHBondContact O-N 3.04Å; Q180-A184 VanDerWaalsContact O-CB 3.23Å; Q180-A184 WeakPolarHBondContact O-CB 3.45Å; Q180-A184 PolarHBondContact O-N 3.3Å; Q180-Y221 HydrophobicContact CB-CG 4.42Å; Q180-Y221 HydrophobicContact CG-CD1 4.12Å; Q180-Y221 HydrophobicContact CG-CE1 4.01Å; Q180-Y221 HydrophobicContact CG-CE2 4.47Å; Q180-Y221 HydrophobicContact CG-CG 4.37Å
181V86.9Confident79.4Confident12 Ų1261.3 Ų61.37%0.07332%0.317CS..Hα-helixtrans-61.9-39.5174.5169.70000111.2T177 I178 R185 V222 L255T177-V181 WeakPolarHBondContact O-CG2 3.43Å; T177-V181 PolarHBondContact O-N 3.2Å; I178-V181 PolarHBondContact O-N 3.13Å; I178-V181 VanDerWaalsContact O-N 3.16Å; V181-R185 WeakPolarHBondContact O-CG 3.33Å; V181-R185 PolarHBondContact O-N 2.98Å; V181-V222 HydrophobicContact CG2-CG2 3.67Å; V181-L255 HydrophobicContact CG1-CD2 4.3Å; V181-L255 HydrophobicContact CG2-CD2 4.25Å
182I85Confident76.5Confident61 Ų6161.1 Ų61.131%0.31333%0.326SS..Hα-helixtrans-69.4-47.6177.7-66167.5000110.7I178 S179 Q180 R185 Q186 Y254I178-I182 HydrophobicContact CG2-CD1 3.81Å; I178-I182 HydrophobicContact CG2-CG1 4.44Å; I178-I182 WeakPolarHBondContact O-CG1 3.09Å; I178-I182 PolarHBondContact O-N 3.35Å; S179-I182 PolarHBondContact O-N 3.35Å; Q180-I182 VanDerWaalsContact C-N 3.3Å; Q180-I182 PolarHBondContact O-N 3.1Å; I182-R185 WeakPolarHBondContact O-CB 3.41Å; I182-R185 PolarHBondContact O-N 3.48Å; I182-R185 VanDerWaalsContact O-N 3.14Å; I182-Q186 PolarHBondContact O-N 2.86Å; I182-Q186 VanDerWaalsContact O-N 3.08Å; I182-Y254 HydrophobicContact CD1-CD1 3.99Å; I182-Y254 HydrophobicContact CD1-CE1 3.9Å; I182-Y254 HydrophobicContact CG1-CD1 4.16Å
183L82.6Confident73.7Confident81 Ų8164.7 Ų64.742%0.42434%0.344SS..Hα-helixtrans-61-46.6178.8-72.2170.2000111.9S179 Q180 R185 Q186 C187S179-L183 WeakPolarHBondContact O-CB 3.37Å; S179-L183 VanDerWaalsContact O-CG 3.32Å; S179-L183 WeakPolarHBondContact O-CG 3.18Å; S179-L183 PolarHBondContact O-N 3.22Å; Q180-L183 PolarHBondContact O-N 3.04Å; L183-R185 PolarHBondContact O-N 2.86Å; L183-Q186 PolarHBondContact O-N 3.43Å; L183-C187 PolarHBondContact O-N 3.48Å; L183-C187 PolarHBondContact O-SG 3.29Å
184A77.8Confident70.5Confident25 Ų2569.3 Ų69.321%0.20737%0.368CS..Hα-helixtrans-57.2-27.3177.400000112.8Q180 N188Q180-A184 VanDerWaalsContact O-CB 3.23Å; Q180-A184 WeakPolarHBondContact O-CB 3.45Å; Q180-A184 PolarHBondContact O-N 3.3Å; A184-N188 PolarHBondContact O-N 3.47Å; A184-N188 PolarHBondContact O-ND2 3.43Å
185R74Confident67.3Low67 Ų6777.2 Ų77.225%0.25341%0.411SS..Hα-helixtrans-80.2-42.8174.6-72.8176.4179.4170.39.2113.4V181 I182 L183 C187 N188 L189 Y254 V256V181-R185 WeakPolarHBondContact O-CG 3.33Å; V181-R185 PolarHBondContact O-N 2.98Å; I182-R185 WeakPolarHBondContact O-CB 3.41Å; I182-R185 PolarHBondContact O-N 3.48Å; I182-R185 VanDerWaalsContact O-N 3.14Å; L183-R185 PolarHBondContact O-N 2.86Å; R185-C187 PolarHBondContact O-N 3.41Å; R185-N188 PolarHBondContact O-N 3.08Å; R185-N188 VanDerWaalsContact O-N 3.13Å; R185-L189 PolarHBondContact O-N 3.09Å; R185-Y254 PolarHBondContact NH1-O 3.07Å; R185-Y254 PolarHBondContact NH2-O 2.91Å; R185-V256 VanDerWaalsContact NH2-CB 3.34Å
186Q73.1Confident64Low110 Ų11078.3 Ų78.351%0.51442%0.42SS..Hα-helixtrans-59-39.9177.6-71.4179.6-10.500110.4I182 L183 L189 H190I182-Q186 PolarHBondContact O-N 2.86Å; I182-Q186 VanDerWaalsContact O-N 3.08Å; L183-Q186 PolarHBondContact O-N 3.43Å; Q186-L189 PolarHBondContact O-N 2.92Å; Q186-H190 PolarHBondContact O-CD2 2.93Å; Q186-H190 PolarHBondContact O-N 3.15Å; Q186-H190 VanDerWaalsContact O-N 3.16Å
187C62.3Low60.6Low52 Ų5281.7 Ų81.735%0.35144%0.442SS..Hα-helixtrans-69.2-36175.7-54.80000113.6L183 R185 L189 H190 S191 Y216L183-C187 PolarHBondContact O-N 3.48Å; L183-C187 PolarHBondContact O-SG 3.29Å; R185-C187 PolarHBondContact O-N 3.41Å; C187-L189 VanDerWaalsContact C-N 3.33Å; C187-H190 PolarHBondContact O-N 3.02Å; C187-S191 PolarHBondContact O-N 3.35Å; C187-Y216 HydrophobicContact CB-CE1 4.3Å; C187-Y216 WeakPolarHBondContact CB-OH 3.33Å
188N57.7Low57.3Low107 Ų10788.2 Ų88.257%0.57249%0.486SS*.Hα-helixtrans-68.3-29.2173.8-85.8-21.9000113.2A184 R185 S191A184-N188 PolarHBondContact O-N 3.47Å; A184-N188 PolarHBondContact O-ND2 3.43Å; R185-N188 PolarHBondContact O-N 3.08Å; R185-N188 VanDerWaalsContact O-N 3.13Å; N188-S191 PolarHBondContact O-OG 3.2Å; N188-S191 VanDerWaalsContact O-OG 3.13Å
189L53.3Low53.9Low116 Ų11692.4 Ų92.461%0.60752%0.517SS*.Hα-helixtrans-67.3-44.5170.8-109.384.5000110.7R185 Q186 C187 S191 S192R185-L189 PolarHBondContact O-N 3.09Å; Q186-L189 PolarHBondContact O-N 2.92Å; C187-L189 VanDerWaalsContact C-N 3.33Å; L189-S191 PolarHBondContact O-N 3.33Å; L189-S192 PolarHBondContact O-N 3.26Å; L189-S192 PolarHBondContact O-OG 2.91Å
190H41.8Very low50.6Low129 Ų12998.4 Ų98.460%0.59755%0.546SS*.Hα-helixtrans-69.6-28.4-178.1-88.1-74.9000114.1Q186 C187 S192 H193 N194Q186-H190 PolarHBondContact O-CD2 2.93Å; Q186-H190 PolarHBondContact O-N 3.15Å; Q186-H190 VanDerWaalsContact O-N 3.16Å; C187-H190 PolarHBondContact O-N 3.02Å; H190-S192 PolarHBondContact O-N 2.98Å; H190-H193 PolarHBondContact O-N 3.36Å; H190-N194 PolarHBondContact O-N 3.42Å
191S43.3Very low47.6Very low86 Ų86103.4 Ų103.460%0.60157%0.574SS**Hα-helixtrans-68.9-20175.767.30000113.5C187 N188 L189C187-S191 PolarHBondContact O-N 3.35Å; N188-S191 PolarHBondContact O-OG 3.2Å; N188-S191 VanDerWaalsContact O-OG 3.13Å; L189-S191 PolarHBondContact O-N 3.33Å
192S34.6Very low44.6Very low88 Ų88110.8 Ų110.862%0.61561%0.607SS**Hα-helixtrans-83.6-19.3178.365.90000114.5L189 H190L189-S192 PolarHBondContact O-N 3.26Å; L189-S192 PolarHBondContact O-OG 2.91Å; H190-S192 PolarHBondContact O-N 2.98Å
193H35.2Very low41.9Very low160 Ų160115.7 Ų115.774%0.74163%0.628SS**Hα-helixtrans-108.6-11.7-176.6-92.2-73.1000115.9H190H190-H193 PolarHBondContact O-N 3.36Å
194N28.3Very low39.4Very low96 Ų96119.3 Ų119.351%0.51365%0.648SS.*  trans-119.374.4-177.2-77.10.1000112.6H190 L196H190-N194 PolarHBondContact O-N 3.42Å; N194-L196 WeakPolarHBondContact CB-O 3.46Å
195N27.3Very low36.9Very low170 Ų170121.4 Ų121.491%0.90967%0.673SS**SBendtrans-80.111.4145.1-96.3-13.1000111.8
196L23.5Very low34.6Very low135 Ų135126.5 Ų126.571%0.70771%0.705SS**SBendtrans-126.4139.3165.7-81.3101.4000108.7N194N194-L196 WeakPolarHBondContact CB-O 3.46Å
197V23Very low32.2Very low123 Ų123127.1 Ų127.175%0.74572%0.72SS**SBendtrans86.547.3178.4-151.60000116.1
198C22.5Very low30.5Very low137 Ų137128.5 Ų128.593%0.92674%0.735SS**SBendtrans-127.155132.6-82.70000108.4
199S20.7Very low29Very low104 Ų104128.8 Ų128.873%0.72774%0.741SS**  trans-157.178.8173.5-72.80000107.7
200L21.6Very low27.8Very low161 Ų161129.8 Ų129.884%0.84375%0.754SS**  trans176.785.8157.6-98.5141.3000108.3
201N25.8Very low27Very low151 Ų151127.7 Ų127.781%0.80776%0.759SS**  -176.2103.6117.2-85.4-12.5000108.1
202H23.9Very low26.3Very low167 Ų167131.1 Ų131.177%0.77376%0.763SS**  trans-52157.5154-94.913.3000110.8
203H28.1Very low25.8Very low164 Ų164133 Ų13376%0.75978%0.775SS**  trans82.482.6171.6-52.2-67.8000114.1
204D28.5Very low25.5Very low157 Ų157132.6 Ų132.684%0.8477%0.773SS**  -170.4133101.5-81.4-28.9000110
205G25.6Very low25.4Very low70 Ų70134.2 Ų134.272%0.72278%0.781SS**  trans-65.3154.6-177.200000112.6
206N27.3Very low25.7Very low173 Ų173132.9 Ų132.993%0.92577%0.765SS**  trans78.631.8164.6-64.82.7000118.8
207C22.8Very low26.8Very low123 Ų123129.5 Ų129.583%0.83175%0.749SS**  trans-89.5108.9153.6175.90000109.1
208A25.8Very low28.4Very low81 Ų81124.5 Ų124.567%0.66972%0.723SS**  trans-46141.7172.500000111.2
209T26.2Very low30.3Very low113 Ų113121.9 Ų121.969%0.69370%0.704SS**  trans-15.8131.9171.653.10000113.9A211T209-A211 PolarHBondContact O-N 2.78Å
210P27.1Very low33Very low138 Ų138119.7 Ų119.790%0.89669%0.685SS**  trans-59.989.3175.825.7-32.1000108.8K212P210-K212 PolarHBondContact O-N 2.96Å
211A26.7Very low36.1Very low84 Ų84114 Ų11469%0.69465%0.652SS**  trans-75103-172.600000105.9T209T209-A211 PolarHBondContact O-N 2.78Å
212K26.9Very low39.1Very low158 Ų158107.7 Ų107.769%0.68762%0.619SS**  trans62.267.8156.5-59.3175.2174.4177.10114.6P210 Q214P210-K212 PolarHBondContact O-N 2.96Å; K212-Q214 HydrophobicContact CB-CB 4.29Å; K212-Q214 HydrophobicContact CB-CG 3.94Å; K212-Q214 HydrophobicContact CG-CG 4.06Å; K212-Q214 PolarHBondContact O-N 3.45Å
213C25Very low42.2Very low127 Ų127104.8 Ų104.886%0.85860%0.604SS**  trans-66.863.7135.5-760000109.3L215C213-L215 PolarHBondContact O-N 3.07Å
214Q27.9Very low45.1Very low152 Ų15298 Ų9871%0.7157%0.573SS**  trans-84.932.1170.1-76.7-177.7-23.300110.9K212 Y216K212-Q214 HydrophobicContact CB-CB 4.29Å; K212-Q214 HydrophobicContact CB-CG 3.94Å; K212-Q214 HydrophobicContact CG-CG 4.06Å; K212-Q214 PolarHBondContact O-N 3.45Å; Q214-Y216 VanDerWaalsContact C-N 3.29Å; Q214-Y216 PolarHBondContact O-N 3.28Å
215L26.9Very low48.2Very low130 Ų13090.6 Ų90.668%0.68153%0.533SS*.  trans-87.320.7-173.4-153.776.6000114.1C213C213-L215 PolarHBondContact O-N 3.07Å
216Y34.7Very low51.4Low143 Ų14387.6 Ų87.656%0.56150%0.5SS*.  trans-117.173.5-176.4-80.6-86.3000113.1C187 Q214C187-Y216 HydrophobicContact CB-CE1 4.3Å; C187-Y216 WeakPolarHBondContact CB-OH 3.33Å; Q214-Y216 VanDerWaalsContact C-N 3.29Å; Q214-Y216 PolarHBondContact O-N 3.28Å
217T46.4Very low54.4Low63 Ų6383.9 Ų83.939%0.38748%0.476SS..  trans-127.844.4158.959.50000111.1P219 D220 Y221T217-P219 VanDerWaalsContact O-N 3.09Å; T217-D220 VanDerWaalsContact CB-OD2 3.23Å; T217-D220 WeakPolarHBondContact CB-OD2 3.36Å; T217-D220 WeakPolarHBondContact CG2-OD2 3.38Å; T217-D220 PolarHBondContact O-N 3.43Å; T217-Y221 WeakPolarHBondContact O-CD2 3.42Å; T217-Y221 PolarHBondContact O-N 3.49Å
218G56.8Low57.7Low19 Ų1978 Ų7820%0.19644%0.437CS..Hα-helixtrans-40.7-42.1167.800000115.1D220G218-D220 VanDerWaalsContact C-N 3.28Å; G218-D220 PolarHBondContact O-N 3.15Å
219P62.3Low60.9Low82 Ų8274.2 Ų74.253%0.53241%0.405SS..Hα-helixtrans-67-22.417625.3-35.5000114.7T217 K223T217-P219 VanDerWaalsContact O-N 3.09Å; P219-K223 VanDerWaalsContact O-CG 3.27Å; P219-K223 WeakPolarHBondContact O-CG 3.08Å; P219-K223 PolarHBondContact O-N 2.91Å
220D76.4Confident63.9Low58 Ų5870.3 Ų70.331%0.3138%0.379SS..Hα-helixtrans-81.9-35.8-176.3-63.4-26.1000111.8T217 G218 V222 K223 I224T217-D220 VanDerWaalsContact CB-OD2 3.23Å; T217-D220 WeakPolarHBondContact CB-OD2 3.36Å; T217-D220 WeakPolarHBondContact CG2-OD2 3.38Å; T217-D220 PolarHBondContact O-N 3.43Å; G218-D220 VanDerWaalsContact C-N 3.28Å; G218-D220 PolarHBondContact O-N 3.15Å; D220-V222 VanDerWaalsContact C-N 3.32Å; D220-V222 PolarHBondContact O-N 3.46Å; D220-K223 PolarHBondContact O-N 3.03Å; D220-K223 IonicContact OD1-NZ 3.53Å; D220-K223 PolarHBondContact OD1-NZ 3.06Å; D220-I224 WeakPolarHBondContact O-CB 3.36Å; D220-I224 WeakPolarHBondContact O-CD1 3.42Å; D220-I224 WeakPolarHBondContact O-CG1 3.48Å; D220-I224 PolarHBondContact O-N 3Å
221Y86Confident66.6Low42 Ų4267.7 Ų67.717%0.16535%0.353CS..Hα-helixtrans-55.3-47.1170.2-73.8-92.5000111.9A149 F150 Q180 T217 I224 M225A149-Y221 HydrophobicContact CB-CD1 4.28Å; A149-Y221 HydrophobicContact CB-CE1 4.3Å; A149-Y221 WeakPolarHBondContact O-CE1 3.05Å; A149-Y221 PolarHBondContact O-OH 3.4Å; F150-Y221 HydrophobicContact CD1-CD1 4.44Å; F150-Y221 AromaticContact CE1-CD1 4Å; F150-Y221 HydrophobicContact CE1-CD1 4Å; Q180-Y221 HydrophobicContact CB-CG 4.42Å; Q180-Y221 HydrophobicContact CG-CD1 4.12Å; Q180-Y221 HydrophobicContact CG-CE1 4.01Å; Q180-Y221 HydrophobicContact CG-CE2 4.47Å; Q180-Y221 HydrophobicContact CG-CG 4.37Å; T217-Y221 WeakPolarHBondContact O-CD2 3.42Å; T217-Y221 PolarHBondContact O-N 3.49Å; Y221-I224 PolarHBondContact O-N 3.3Å; Y221-M225 VanDerWaalsContact O-CB 3.29Å; Y221-M225 WeakPolarHBondContact O-CB 3.5Å; Y221-M225 PolarHBondContact O-N 3.13Å
222V89.6Confident69.6Low17 Ų1763.7 Ų63.710%0.10332%0.32CS..Hα-helixtrans-65.6-43.1-179.2177.90000111.1T177 V181 D220 M225 F226 L251 L255T177-V222 HydrophobicContact CG2-CG2 4.29Å; V181-V222 HydrophobicContact CG2-CG2 3.67Å; D220-V222 VanDerWaalsContact C-N 3.32Å; D220-V222 PolarHBondContact O-N 3.46Å; V222-M225 PolarHBondContact O-N 3.45Å; V222-F226 HydrophobicContact CG1-CD2 3.98Å; V222-F226 HydrophobicContact CG1-CE2 3.58Å; V222-F226 HydrophobicContact CG1-CZ 4.04Å; V222-F226 WeakPolarHBondContact O-CG 3.28Å; V222-F226 PolarHBondContact O-N 3.38Å; V222-L251 HydrophobicContact CG1-CD2 4.42Å; V222-L255 HydrophobicContact CG1-CD1 4.05Å; V222-L255 HydrophobicContact CG1-CD2 4.27Å; V222-L255 HydrophobicContact CG2-CD2 4.09Å
223K88.6Confident72.6Confident107 Ų10756.1 Ų56.147%0.46529%0.288SS..Hα-helixtrans-61.6-46.1176.5-72.8169.8-165.4160.90111.5P219 D220 F226 K227P219-K223 VanDerWaalsContact O-CG 3.27Å; P219-K223 WeakPolarHBondContact O-CG 3.08Å; P219-K223 PolarHBondContact O-N 2.91Å; D220-K223 PolarHBondContact O-N 3.03Å; D220-K223 IonicContact OD1-NZ 3.53Å; D220-K223 PolarHBondContact OD1-NZ 3.06Å; K223-F226 PolarHBondContact O-N 2.83Å; K223-K227 WeakPolarHBondContact O-CG 3.44Å; K223-K227 PolarHBondContact O-N 3.47Å; K223-K227 VanDerWaalsContact O-N 3.07Å
224I89.5Confident75.4Confident22 Ų2252 Ų5211%0.11326%0.257CS..Hα-helixtrans-64.8-43.8-179.8-66.7163.3000109.4A149 F150 D220 Y221 F226 K227 L228A149-I224 HydrophobicContact CB-CD1 3.61Å; A149-I224 HydrophobicContact CB-CG2 4.24Å; F150-I224 HydrophobicContact CE2-CG2 4.06Å; D220-I224 WeakPolarHBondContact O-CB 3.36Å; D220-I224 WeakPolarHBondContact O-CD1 3.42Å; D220-I224 WeakPolarHBondContact O-CG1 3.48Å; D220-I224 PolarHBondContact O-N 3Å; Y221-I224 PolarHBondContact O-N 3.3Å; I224-F226 VanDerWaalsContact C-N 3.34Å; I224-F226 PolarHBondContact O-N 3.19Å; I224-K227 WeakPolarHBondContact O-CB 3.37Å; I224-K227 PolarHBondContact O-N 2.77Å; I224-K227 VanDerWaalsContact O-N 3.12Å; I224-L228 HydrophobicContact CG2-CD1 4.31Å; I224-L228 HydrophobicContact CG2-CG 4.44Å; I224-L228 WeakPolarHBondContact O-CG 3.3Å; I224-L228 PolarHBondContact O-N 2.85Å
225M93.3Very high78.1Confident1 Ų145.4 Ų45.41%0.00523%0.226CC..Hα-helixtrans-60.7-40.7176.4-164.865.9-14800112.5F150 L170 A173 T174 T177 Y221 V222 K227 L228 I229 A247 L251F150-M225 HydrophobicContact CE2-SD 4.46Å; F150-M225 HydrophobicContact CZ-SD 4.02Å; L170-M225 HydrophobicContact CD1-CE 3.48Å; L170-M225 VanDerWaalsContact CD1-CE 3.48Å; A173-M225 HydrophobicContact CB-CE 4.32Å; A173-M225 HydrophobicContact CB-SD 3.91Å; T174-M225 WeakPolarHBondContact OG1-CE 3.46Å; T177-M225 HydrophobicContact CG2-CB 3.97Å; T177-M225 HydrophobicContact CG2-CG 4.22Å; Y221-M225 VanDerWaalsContact O-CB 3.29Å; Y221-M225 WeakPolarHBondContact O-CB 3.5Å; Y221-M225 PolarHBondContact O-N 3.13Å; V222-M225 PolarHBondContact O-N 3.45Å; M225-K227 PolarHBondContact O-N 3.41Å; M225-L228 PolarHBondContact O-N 2.93Å; M225-L228 HydrophobicContact SD-CD1 4.47Å; M225-I229 HydrophobicContact CE-CD1 4.24Å; M225-I229 HydrophobicContact CE-CG1 4.02Å; M225-I229 HydrophobicContact CG-CD1 4.15Å; M225-I229 WeakPolarHBondContact O-CB 3.36Å; M225-I229 VanDerWaalsContact O-CG1 3.28Å; M225-I229 WeakPolarHBondContact O-CG1 3.32Å; M225-I229 PolarHBondContact O-N 2.88Å; M225-A247 HydrophobicContact CE-CB 4.46Å; M225-L251 HydrophobicContact CB-CD2 4.19Å; M225-L251 HydrophobicContact CG-CD2 4Å
226F93Very high80.5Confident6 Ų643.4 Ų43.43%0.02622%0.221CC..Hα-helixtrans-65.2-36174.5-74.5-31.2000113.2V222 K223 I224 I229 Q230 F248 L251 L252 L255 L266 A269 I270 I273V222-F226 HydrophobicContact CG1-CD2 3.98Å; V222-F226 HydrophobicContact CG1-CE2 3.58Å; V222-F226 HydrophobicContact CG1-CZ 4.04Å; V222-F226 WeakPolarHBondContact O-CG 3.28Å; V222-F226 PolarHBondContact O-N 3.38Å; K223-F226 PolarHBondContact O-N 2.83Å; I224-F226 VanDerWaalsContact C-N 3.34Å; I224-F226 PolarHBondContact O-N 3.19Å; F226-I229 HydrophobicContact CD1-CD1 4.28Å; F226-Q230 WeakPolarHBondContact O-CB 3.39Å; F226-Q230 PolarHBondContact O-N 3.26Å; F226-F248 HydrophobicContact CD1-CD2 4.08Å; F226-F248 HydrophobicContact CD1-CE2 4.24Å; F226-F248 AromaticContact CE1-CD2 3.78Å; F226-F248 HydrophobicContact CE1-CD2 3.78Å; F226-F248 AromaticContact CE1-CE2 3.78Å; F226-F248 HydrophobicContact CE1-CE2 3.78Å; F226-L251 HydrophobicContact CD1-CD2 3.9Å; F226-L251 HydrophobicContact CE1-CD2 3.52Å; F226-L251 HydrophobicContact CE1-CG 4.23Å; F226-L251 HydrophobicContact CZ-CD2 4.07Å; F226-L252 HydrophobicContact CZ-CD2 4.45Å; F226-L255 HydrophobicContact CE2-CD1 4.38Å; F226-L255 HydrophobicContact CZ-CD1 3.78Å; F226-L266 HydrophobicContact CE2-CD1 3.76Å; F226-L266 HydrophobicContact CZ-CD1 4.03Å; F226-A269 HydrophobicContact CD2-CB 3.94Å; F226-A269 HydrophobicContact CE2-CB 4.07Å; F226-I270 HydrophobicContact CE1-CG1 4.42Å; F226-I270 HydrophobicContact CE2-CG1 3.93Å; F226-I270 HydrophobicContact CZ-CD1 4.43Å; F226-I270 HydrophobicContact CZ-CG1 3.82Å; F226-I273 HydrophobicContact CB-CD1 3.85Å; F226-I273 HydrophobicContact CD1-CD1 3.55Å; F226-I273 HydrophobicContact CE1-CD1 4.37Å; F226-I273 HydrophobicContact CG-CD1 3.93Å
227K89.6Confident82.8Confident95 Ų9538.5 Ų38.541%0.41321%0.206SC..Hα-helixtrans-67.1-40.6173-68.6-176.3172.8-163.70112.2E142 K223 I224 M225 Q230 F231E142-K227 HydrophobicContact CG-CB 3.86Å; E142-K227 HydrophobicContact CG-CD 3.58Å; E142-K227 HydrophobicContact CG-CG 4.38Å; K223-K227 WeakPolarHBondContact O-CG 3.44Å; K223-K227 PolarHBondContact O-N 3.47Å; K223-K227 VanDerWaalsContact O-N 3.07Å; I224-K227 WeakPolarHBondContact O-CB 3.37Å; I224-K227 PolarHBondContact O-N 2.77Å; I224-K227 VanDerWaalsContact O-N 3.12Å; M225-K227 PolarHBondContact O-N 3.41Å; K227-Q230 WeakPolarHBondContact O-CB 3.35Å; K227-Q230 PolarHBondContact O-N 3.38Å; K227-F231 PolarHBondContact O-N 3.4Å
228L91.9Very high84.6Confident1 Ų137.6 Ų37.61%0.00520%0.199CC..Hα-helixtrans-63.7-44.2174.8-67.9178000111.7F140 C146 F150 L158 I224 M225 Q230 F231 L232F140-L228 HydrophobicContact CE2-CD2 3.64Å; F140-L228 HydrophobicContact CZ-CD2 4.05Å; C146-L228 HydrophobicContact CB-CD2 4.34Å; F150-L228 HydrophobicContact CD2-CD1 4.28Å; F150-L228 HydrophobicContact CE2-CD1 3.72Å; L158-L228 HydrophobicContact CD1-CD1 3.86Å; L158-L228 HydrophobicContact CD1-CD2 3.97Å; L158-L228 HydrophobicContact CD1-CG 4.44Å; I224-L228 HydrophobicContact CG2-CD1 4.31Å; I224-L228 HydrophobicContact CG2-CG 4.44Å; I224-L228 WeakPolarHBondContact O-CG 3.3Å; I224-L228 PolarHBondContact O-N 2.85Å; M225-L228 PolarHBondContact O-N 2.93Å; M225-L228 HydrophobicContact SD-CD1 4.47Å; L228-Q230 VanDerWaalsContact C-N 3.3Å; L228-Q230 PolarHBondContact O-N 2.84Å; L228-F231 PolarHBondContact O-N 3.27Å; L228-L232 WeakPolarHBondContact O-CB 3.37Å; L228-L232 VanDerWaalsContact O-CG 3.29Å; L228-L232 WeakPolarHBondContact O-CG 3.38Å; L228-L232 PolarHBondContact O-N 3.4Å
229I93.6Very high86.1Confident0 Ų038.2 Ų38.20%020%0.202CC..Hα-helixtrans-58.7-45.5173.3-72163.2000110M225 F226 F231 L232 L233 A247 F248 I273M225-I229 HydrophobicContact CE-CD1 4.24Å; M225-I229 HydrophobicContact CE-CG1 4.02Å; M225-I229 HydrophobicContact CG-CD1 4.15Å; M225-I229 WeakPolarHBondContact O-CB 3.36Å; M225-I229 VanDerWaalsContact O-CG1 3.28Å; M225-I229 WeakPolarHBondContact O-CG1 3.32Å; M225-I229 PolarHBondContact O-N 2.88Å; F226-I229 HydrophobicContact CD1-CD1 4.28Å; I229-F231 VanDerWaalsContact C-N 3.3Å; I229-F231 PolarHBondContact O-N 3.24Å; I229-L232 PolarHBondContact O-N 3.47Å; I229-L233 HydrophobicContact CG2-CD1 4.24Å; I229-L233 HydrophobicContact CG2-CG 4.38Å; I229-L233 VanDerWaalsContact O-CG 3.25Å; I229-L233 WeakPolarHBondContact O-CG 3.25Å; I229-L233 PolarHBondContact O-N 2.93Å; I229-A247 HydrophobicContact CD1-CB 4.39Å; I229-F248 HydrophobicContact CD1-CB 4.06Å; I229-F248 HydrophobicContact CG2-CB 4.06Å; I229-I273 HydrophobicContact CB-CD1 4.26Å; I229-I273 HydrophobicContact CG2-CD1 3.89Å; I229-I273 HydrophobicContact CG2-CG1 4.34Å
230Q88.9Confident87.3Confident31 Ų3134.3 Ų34.315%0.14518%0.177CC..Hα-helixtrans-57.1-43.7177.2-179.2-173.8-6.400112G18 F226 K227 L228 P272 I273G18-Q230 PolarHBondContact O-NE2 3.07Å; F226-Q230 WeakPolarHBondContact O-CB 3.39Å; F226-Q230 PolarHBondContact O-N 3.26Å; K227-Q230 WeakPolarHBondContact O-CB 3.35Å; K227-Q230 PolarHBondContact O-N 3.38Å; L228-Q230 VanDerWaalsContact C-N 3.3Å; L228-Q230 PolarHBondContact O-N 2.84Å; Q230-P272 VanDerWaalsContact OE1-CB 3.29Å; Q230-I273 HydrophobicContact CB-CG1 4.25Å
231F85.5Confident88Confident83 Ų8331.6 Ų31.636%0.36416%0.163SC..Hα-helixtrans-65-47.2176175-101.1000112.1F140 K227 L228 I229 L233 D234F140-F231 HydrophobicContact CB-CD2 4.38Å; F140-F231 HydrophobicContact CB-CE2 3.92Å; F140-F231 HydrophobicContact CB-CZ 4.11Å; K227-F231 PolarHBondContact O-N 3.4Å; L228-F231 PolarHBondContact O-N 3.27Å; I229-F231 VanDerWaalsContact C-N 3.3Å; I229-F231 PolarHBondContact O-N 3.24Å; F231-L233 VanDerWaalsContact C-N 3.3Å; F231-L233 PolarHBondContact O-N 3.33Å; F231-D234 WeakPolarHBondContact O-CB 3.17Å; F231-D234 PolarHBondContact O-N 3.28Å
232L89.3Confident88.2Confident0 Ų031.5 Ų31.50%017%0.166CC..Hα-helixtrans-74.7-16.9-176.1-66166000113.7L158 L170 L228 I229 D234 D235 I240 A244L158-L232 HydrophobicContact CD2-CD1 3.82Å; L158-L232 HydrophobicContact CD2-CD2 4.42Å; L170-L232 HydrophobicContact CB-CD1 4.16Å; L170-L232 HydrophobicContact CD1-CD1 3.64Å; L170-L232 HydrophobicContact CD2-CD1 4.11Å; L170-L232 HydrophobicContact CG-CD1 4.16Å; L228-L232 WeakPolarHBondContact O-CB 3.37Å; L228-L232 VanDerWaalsContact O-CG 3.29Å; L228-L232 WeakPolarHBondContact O-CG 3.38Å; L228-L232 PolarHBondContact O-N 3.4Å; I229-L232 PolarHBondContact O-N 3.47Å; L232-D234 PolarHBondContact O-N 3.39Å; L232-D235 VanDerWaalsContact O-CB 3.29Å; L232-D235 WeakPolarHBondContact O-CB 3.26Å; L232-D235 PolarHBondContact O-N 3.1Å; L232-I240 HydrophobicContact CB-CG2 4.2Å; L232-I240 HydrophobicContact CD2-CG2 4.03Å; L232-A244 HydrophobicContact CB-CB 3.95Å
233L89.6Confident88.3Confident0 Ų031.1 Ų31.10%016%0.164CC..THydrogen-bonded Turntrans-63.4-15.8166.2-75.2172.4000112.4I229 F231 F241 A244 L245 I273 R276 L277 F280I229-L233 HydrophobicContact CG2-CD1 4.24Å; I229-L233 HydrophobicContact CG2-CG 4.38Å; I229-L233 VanDerWaalsContact O-CG 3.25Å; I229-L233 WeakPolarHBondContact O-CG 3.25Å; I229-L233 PolarHBondContact O-N 2.93Å; F231-L233 VanDerWaalsContact C-N 3.3Å; F231-L233 PolarHBondContact O-N 3.33Å; L233-F241 HydrophobicContact CD2-CD2 3.95Å; L233-F241 HydrophobicContact CD2-CE2 3.75Å; L233-F241 HydrophobicContact CD2-CZ 4.35Å; L233-F241 VanDerWaalsContact O-CD2 3.27Å; L233-F241 WeakPolarHBondContact O-CD2 3.31Å; L233-A244 HydrophobicContact CD2-CB 4.32Å; L233-A244 HydrophobicContact CG-CB 4.5Å; L233-L245 HydrophobicContact CD2-CD2 3.76Å; L233-L245 HydrophobicContact CD2-CG 3.71Å; L233-I273 HydrophobicContact CD1-CG2 3.91Å; L233-R276 HydrophobicContact CB-CG 4.27Å; L233-R276 HydrophobicContact CD1-CB 4.46Å; L233-L277 HydrophobicContact CD1-CD2 3.98Å; L233-L277 HydrophobicContact CD1-CG 4.46Å; L233-L277 HydrophobicContact CD2-CD2 4.14Å; L233-F280 VanDerWaalsContact O-CE2 3.23Å; L233-F280 WeakPolarHBondContact O-CE2 3.46Å; L233-F280 WeakPolarHBondContact O-CZ 3.2Å
234D82.7Confident88.7Confident40 Ų4026 Ų2621%0.21414%0.142CC..THydrogen-bonded Turntrans-99.711172.6-63.1-41.8000113.9F231 L232 R276 W288F231-D234 WeakPolarHBondContact O-CB 3.17Å; F231-D234 PolarHBondContact O-N 3.28Å; L232-D234 PolarHBondContact O-N 3.39Å; D234-R276 IonicContact OD1-CZ 2.77Å; D234-R276 IonicContact OD1-NE 2.67Å; D234-R276 PolarHBondContact OD1-NE 3.47Å; D234-R276 IonicContact OD1-NH2 3.56Å; D234-R276 PolarHBondContact OD1-NH2 3.05Å; D234-R276 IonicContact OD2-CZ 3.79Å; D234-R276 IonicContact OD2-NE 3.11Å; D234-R276 PolarHBondContact OD2-NE 3.07Å; D234-R276 IonicContact OD2-NH1 3.79Å; D234-R276 IonicContact OD2-NH2 3.87Å; D234-R276 PolarHBondContact OD2-NH2 3.19Å; D234-W288 WeakPolarHBondContact O-CH2 3.2Å
235D84.6Confident88.9Confident13 Ų1325.1 Ų25.17%0.0714%0.137CC..  trans-65.3136.8177.4-163.3-71.9000110.1R166 L232 V237 I240 R367R166-D235 IonicContact CZ-OD1 3.62Å; R166-D235 IonicContact CZ-OD2 3.82Å; R166-D235 IonicContact NE-OD1 2.92Å; R166-D235 IonicContact NE-OD2 3.85Å; R166-D235 PolarHBondContact NE-OD2 3.1Å; R166-D235 IonicContact NH2-OD1 2.58Å; R166-D235 PolarHBondContact NH2-OD1 2.7Å; R166-D235 IonicContact NH2-OD2 2.85Å; R166-D235 PolarHBondContact NH2-OD2 3.23Å; L232-D235 VanDerWaalsContact O-CB 3.29Å; L232-D235 WeakPolarHBondContact O-CB 3.26Å; L232-D235 PolarHBondContact O-N 3.1Å; D235-V237 PolarHBondContact O-N 3.05Å; D235-V237 WeakPolarHBondContact OD1-CB 3.38Å; D235-V237 PolarHBondContact OD1-N 2.92Å; D235-I240 HydrophobicContact CB-CB 3.9Å; D235-I240 HydrophobicContact CB-CG2 3.54Å; D235-I240 WeakPolarHBondContact OD1-CD1 3.44Å; D235-I240 WeakPolarHBondContact OD2-CD1 3.49Å; D235-R367 PolarHBondContact O-NH1 2.83Å
236P78.2Confident88.9Confident88 Ų8830.5 Ų30.557%0.57116%0.157SC*.SBendtrans-60.7-20.8175.522.7-33.8000113.6W288 R367P236-W288 HydrophobicContact CB-CZ3 3.91Å; P236-R367 VanDerWaalsContact C-NH2 3.3Å; P236-R367 PolarHBondContact O-NH2 3.19Å
237V82.5Confident89.1Confident40 Ų4030.4 Ų30.424%0.24216%0.157CC..SBendtrans-93.8125-175.7-1770000111.6W163 D235 A239 I240 F241W163-V237 HydrophobicContact CB-CB 4.3Å; W163-V237 HydrophobicContact CB-CG1 4.07Å; W163-V237 HydrophobicContact CB-CG2 3.91Å; W163-V237 HydrophobicContact CD2-CG1 4.15Å; W163-V237 HydrophobicContact CE3-CG1 4.3Å; W163-V237 HydrophobicContact CG-CG1 4.06Å; W163-V237 HydrophobicContact CG-CG2 4.46Å; D235-V237 PolarHBondContact O-N 3.05Å; D235-V237 WeakPolarHBondContact OD1-CB 3.38Å; D235-V237 PolarHBondContact OD1-N 2.92Å; V237-A239 VanDerWaalsContact C-N 3.28Å; V237-A239 HydrophobicContact CG1-CB 4.07Å; V237-A239 PolarHBondContact O-N 3.47Å; V237-I240 HydrophobicContact CB-CB 4.49Å; V237-I240 HydrophobicContact CB-CD1 4.17Å; V237-I240 HydrophobicContact CB-CG1 4.3Å; V237-I240 HydrophobicContact CG1-CG1 4.46Å; V237-I240 PolarHBondContact O-N 3.49Å; V237-I240 VanDerWaalsContact O-N 3.09Å; V237-F241 PolarHBondContact O-N 3.24Å; V237-F241 VanDerWaalsContact O-N 3.1Å
238D85.1Confident89.4Confident44 Ų4425.9 Ų25.924%0.23514%0.138CC..Hα-helixtrans-62-33.9-177.2-60.5-57.3000113.5I240 F241 T242 N363 R367D238-I240 VanDerWaalsContact C-N 3.3Å; D238-I240 PolarHBondContact O-N 2.96Å; D238-F241 PolarHBondContact O-N 3.36Å; D238-T242 WeakPolarHBondContact O-CB 3.5Å; D238-T242 PolarHBondContact O-N 2.72Å; D238-T242 PolarHBondContact O-OG1 3.38Å; D238-N363 VanDerWaalsContact OD2-CB 3.29Å; D238-N363 WeakPolarHBondContact OD2-CB 3.33Å; D238-N363 PolarHBondContact OD2-ND2 2.67Å; D238-R367 IonicContact OD1-CZ 2.75Å; D238-R367 IonicContact OD1-NE 3.73Å; D238-R367 PolarHBondContact OD1-NE 3.37Å; D238-R367 IonicContact OD1-NH2 2.79Å; D238-R367 PolarHBondContact OD1-NH2 3.49Å; D238-R367 IonicContact OD2-NH2 3.35Å
239A87Confident89.4Confident33 Ų3329.4 Ų29.427%0.27315%0.151SC..Hα-helixtrans-60.7-41.4175.900000111.3W163 V237 T242 D243W163-A239 HydrophobicContact CE3-CB 3.93Å; W163-A239 HydrophobicContact CH2-CB 4.3Å; W163-A239 HydrophobicContact CZ3-CB 3.59Å; V237-A239 VanDerWaalsContact C-N 3.28Å; V237-A239 HydrophobicContact CG1-CB 4.07Å; V237-A239 PolarHBondContact O-N 3.47Å; A239-T242 PolarHBondContact O-N 2.96Å; A239-D243 WeakPolarHBondContact O-CB 3.13Å; A239-D243 PolarHBondContact O-N 3.22Å
240I88.6Confident89.3Confident0 Ų032.8 Ų32.80%017%0.167CC..Hα-helixtrans-72.3-41.5178.6-64.4175.6000110.8W163 R166 L232 D235 V237 D238 T242 D243 A244W163-I240 HydrophobicContact CB-CD1 3.72Å; W163-I240 HydrophobicContact CB-CG1 4.46Å; R166-I240 HydrophobicContact CB-CD1 3.62Å; R166-I240 HydrophobicContact CG-CD1 4.35Å; R166-I240 VanDerWaalsContact NH2-CD1 3.34Å; L232-I240 HydrophobicContact CB-CG2 4.2Å; L232-I240 HydrophobicContact CD2-CG2 4.03Å; D235-I240 HydrophobicContact CB-CB 3.9Å; D235-I240 HydrophobicContact CB-CG2 3.54Å; D235-I240 WeakPolarHBondContact OD1-CD1 3.44Å; D235-I240 WeakPolarHBondContact OD2-CD1 3.49Å; V237-I240 HydrophobicContact CB-CB 4.49Å; V237-I240 HydrophobicContact CB-CD1 4.17Å; V237-I240 HydrophobicContact CB-CG1 4.3Å; V237-I240 HydrophobicContact CG1-CG1 4.46Å; V237-I240 PolarHBondContact O-N 3.49Å; V237-I240 VanDerWaalsContact O-N 3.09Å; D238-I240 VanDerWaalsContact C-N 3.3Å; D238-I240 PolarHBondContact O-N 2.96Å; I240-T242 VanDerWaalsContact C-N 3.28Å; I240-T242 PolarHBondContact O-N 3.47Å; I240-D243 PolarHBondContact O-N 2.9Å; I240-A244 WeakPolarHBondContact O-CB 3.34Å; I240-A244 PolarHBondContact O-N 3.49Å
241F89.9Confident89.5Confident1 Ų131.3 Ų31.30%0.00416%0.16CC..Hα-helixtrans-54.8-47173.1175.7-92.3000111.7L233 V237 D238 A244 L245 F280 R367 L370L233-F241 HydrophobicContact CD2-CD2 3.95Å; L233-F241 HydrophobicContact CD2-CE2 3.75Å; L233-F241 HydrophobicContact CD2-CZ 4.35Å; L233-F241 VanDerWaalsContact O-CD2 3.27Å; L233-F241 WeakPolarHBondContact O-CD2 3.31Å; V237-F241 PolarHBondContact O-N 3.24Å; V237-F241 VanDerWaalsContact O-N 3.1Å; D238-F241 PolarHBondContact O-N 3.36Å; F241-A244 PolarHBondContact O-N 2.96Å; F241-L245 HydrophobicContact CD1-CD1 4.17Å; F241-L245 HydrophobicContact CE1-CD1 3.48Å; F241-L245 VanDerWaalsContact CE1-CD1 3.48Å; F241-L245 HydrophobicContact CE1-CG 4.37Å; F241-L245 HydrophobicContact CZ-CD1 3.81Å; F241-L245 PolarHBondContact O-N 3.2Å; F241-L245 VanDerWaalsContact O-N 3.07Å; F241-F280 HydrophobicContact CD2-CZ 4.37Å; F241-F280 HydrophobicContact CE2-CD1 4.29Å; F241-F280 HydrophobicContact CE2-CD2 4.1Å; F241-F280 HydrophobicContact CE2-CE1 4.14Å; F241-F280 AromaticContact CE2-CE2 3.94Å; F241-F280 HydrophobicContact CE2-CE2 3.94Å; F241-F280 HydrophobicContact CE2-CG 4.28Å; F241-F280 AromaticContact CE2-CZ 3.97Å; F241-F280 HydrophobicContact CE2-CZ 3.97Å; F241-R367 HydrophobicContact CD1-CB 4.23Å; F241-R367 HydrophobicContact CD1-CG 3.79Å; F241-R367 HydrophobicContact CD2-CG 4.42Å; F241-R367 HydrophobicContact CE1-CB 3.77Å; F241-R367 HydrophobicContact CE1-CG 3.86Å; F241-R367 HydrophobicContact CE2-CB 4.33Å; F241-R367 HydrophobicContact CE2-CG 4.49Å; F241-R367 HydrophobicContact CG-CG 4.08Å; F241-R367 HydrophobicContact CZ-CB 3.83Å; F241-R367 HydrophobicContact CZ-CG 4.23Å; F241-L370 HydrophobicContact CD1-CD2 4.4Å; F241-L370 HydrophobicContact CE1-CB 4.41Å; F241-L370 HydrophobicContact CE1-CD2 4.09Å
242T91.5Very high89.8Confident39 Ų3927.4 Ų27.424%0.23914%0.143CC..Hα-helixtrans-66.9-42.1-179.7-57.40000111.5D238 A239 I240 L245 R246 L370D238-T242 WeakPolarHBondContact O-CB 3.5Å; D238-T242 PolarHBondContact O-N 2.72Å; D238-T242 PolarHBondContact O-OG1 3.38Å; A239-T242 PolarHBondContact O-N 2.96Å; I240-T242 VanDerWaalsContact C-N 3.28Å; I240-T242 PolarHBondContact O-N 3.47Å; T242-L245 PolarHBondContact O-N 3.05Å; T242-R246 PolarHBondContact O-N 3.44Å; T242-L370 HydrophobicContact CG2-CD2 4.25Å
243D92.3Very high89.8Confident10 Ų1027.4 Ų27.45%0.05314%0.143CC..Hα-helixtrans-67.4-35.8176.8-83.426.5000112.2Q167 L170 Q171 A239 I240 R246 A247Q167-D243 WeakPolarHBondContact CG-OD2 3.49Å; Q167-D243 PolarHBondContact NE2-OD2 3.36Å; L170-D243 HydrophobicContact CD2-CB 3.85Å; Q171-D243 PolarHBondContact NE2-OD2 2.72Å; A239-D243 WeakPolarHBondContact O-CB 3.13Å; A239-D243 PolarHBondContact O-N 3.22Å; I240-D243 PolarHBondContact O-N 2.9Å; D243-R246 WeakPolarHBondContact O-CB 3.4Å; D243-R246 PolarHBondContact O-N 3Å; D243-R246 IonicContact OD1-CZ 3.47Å; D243-R246 IonicContact OD1-NH1 3.71Å; D243-R246 PolarHBondContact OD1-NH1 3.27Å; D243-R246 IonicContact OD1-NH2 3.72Å; D243-R246 IonicContact OD2-NH1 3.5Å; D243-A247 WeakPolarHBondContact O-CB 3.44Å; D243-A247 PolarHBondContact O-N 3.25Å
244A95.3Very high89.8Confident0 Ų030.2 Ų30.20%015%0.154CC..Hα-helixtrans-64.4-41.6174.100000111.2L170 L232 L233 I240 F241 F248L170-A244 HydrophobicContact CD2-CB 4.19Å; L232-A244 HydrophobicContact CB-CB 3.95Å; L233-A244 HydrophobicContact CD2-CB 4.32Å; L233-A244 HydrophobicContact CG-CB 4.5Å; I240-A244 WeakPolarHBondContact O-CB 3.34Å; I240-A244 PolarHBondContact O-N 3.49Å; F241-A244 PolarHBondContact O-N 2.96Å; A244-F248 WeakPolarHBondContact O-CB 3.44Å; A244-F248 PolarHBondContact O-N 3.19Å
245L94.9Very high90.1Very high3 Ų329 Ų292%0.01615%0.148CC..Hα-helixtrans-63.2-41.3171.1-78.2-179.2000112L233 F241 T242 F248 R249 L277 L370 T374L233-L245 HydrophobicContact CD2-CD2 3.76Å; L233-L245 HydrophobicContact CD2-CG 3.71Å; F241-L245 HydrophobicContact CD1-CD1 4.17Å; F241-L245 HydrophobicContact CE1-CD1 3.48Å; F241-L245 VanDerWaalsContact CE1-CD1 3.48Å; F241-L245 HydrophobicContact CE1-CG 4.37Å; F241-L245 HydrophobicContact CZ-CD1 3.81Å; F241-L245 PolarHBondContact O-N 3.2Å; F241-L245 VanDerWaalsContact O-N 3.07Å; T242-L245 PolarHBondContact O-N 3.05Å; L245-F248 WeakPolarHBondContact O-CB 3.45Å; L245-F248 PolarHBondContact O-N 3.46Å; L245-R249 WeakPolarHBondContact O-CG 3.39Å; L245-R249 PolarHBondContact O-N 3.49Å; L245-L277 HydrophobicContact CD2-CD1 4.32Å; L245-L277 HydrophobicContact CD2-CD2 3.77Å; L245-L370 HydrophobicContact CD1-CB 4.36Å; L245-L370 HydrophobicContact CD1-CD2 3.61Å; L245-L370 HydrophobicContact CD1-CG 3.56Å; L245-T374 HydrophobicContact CD2-CG2 4.23Å
246R93.7Very high90.1Very high113 Ų11329.6 Ų29.643%0.42615%0.152SC..Hα-helixtrans-62.1-48.7177.1-168.8179.7-58.6114.610.9111.3T242 D243 F248 R249 E250T242-R246 PolarHBondContact O-N 3.44Å; D243-R246 WeakPolarHBondContact O-CB 3.4Å; D243-R246 PolarHBondContact O-N 3Å; D243-R246 IonicContact OD1-CZ 3.47Å; D243-R246 IonicContact OD1-NH1 3.71Å; D243-R246 PolarHBondContact OD1-NH1 3.27Å; D243-R246 IonicContact OD1-NH2 3.72Å; D243-R246 IonicContact OD2-NH1 3.5Å; R246-F248 VanDerWaalsContact C-N 3.27Å; R246-F248 PolarHBondContact O-N 3.19Å; R246-R249 WeakPolarHBondContact O-CB 3.32Å; R246-R249 PolarHBondContact O-N 3.43Å; R246-E250 HydrophobicContact CG-CG 4.5Å; R246-E250 WeakPolarHBondContact CG-OE1 3.17Å; R246-E250 WeakPolarHBondContact O-CG 3.29Å; R246-E250 PolarHBondContact O-N 3.23Å
247A96Very high90.4Very high4 Ų425.4 Ų25.43%0.03312%0.124CC..Hα-helixtrans-55.7-42.5174.900000111.9L170 T174 M225 I229 D243 E250 L251L170-A247 HydrophobicContact CD1-CB 4.14Å; T174-A247 HydrophobicContact CG2-CB 3.85Å; T174-A247 VanDerWaalsContact OG1-CB 3.26Å; T174-A247 WeakPolarHBondContact OG1-CB 3.33Å; M225-A247 HydrophobicContact CE-CB 4.46Å; I229-A247 HydrophobicContact CD1-CB 4.39Å; D243-A247 WeakPolarHBondContact O-CB 3.44Å; D243-A247 PolarHBondContact O-N 3.25Å; A247-E250 PolarHBondContact O-N 3.11Å; A247-L251 VanDerWaalsContact O-CB 3.3Å; A247-L251 WeakPolarHBondContact O-CB 3.33Å; A247-L251 PolarHBondContact O-N 3.47Å
248F95.7Very high90.5Very high0 Ų029.2 Ų29.20%014%0.135CC..Hα-helixtrans-60.3-44.8173.5179.9-116.8000112.5F226 I229 A244 L245 R246 L252 I270 I273 T374 L378F226-F248 HydrophobicContact CD1-CD2 4.08Å; F226-F248 HydrophobicContact CD1-CE2 4.24Å; F226-F248 AromaticContact CE1-CD2 3.78Å; F226-F248 HydrophobicContact CE1-CD2 3.78Å; F226-F248 AromaticContact CE1-CE2 3.78Å; F226-F248 HydrophobicContact CE1-CE2 3.78Å; I229-F248 HydrophobicContact CD1-CB 4.06Å; I229-F248 HydrophobicContact CG2-CB 4.06Å; A244-F248 WeakPolarHBondContact O-CB 3.44Å; A244-F248 PolarHBondContact O-N 3.19Å; L245-F248 WeakPolarHBondContact O-CB 3.45Å; L245-F248 PolarHBondContact O-N 3.46Å; R246-F248 VanDerWaalsContact C-N 3.27Å; R246-F248 PolarHBondContact O-N 3.19Å; F248-L252 HydrophobicContact CD1-CD1 4.22Å; F248-L252 HydrophobicContact CE1-CD1 3.69Å; F248-L252 HydrophobicContact CE2-CD1 4.01Å; F248-L252 HydrophobicContact CE2-CD2 4.4Å; F248-L252 HydrophobicContact CE2-CG 4.22Å; F248-L252 HydrophobicContact CZ-CD1 3.57Å; F248-L252 HydrophobicContact CZ-CG 4.28Å; F248-L252 WeakPolarHBondContact O-CG 3.23Å; F248-L252 PolarHBondContact O-N 3.25Å; F248-L252 VanDerWaalsContact O-N 3.16Å; F248-I270 HydrophobicContact CE2-CG1 4.16Å; F248-I270 HydrophobicContact CE2-CG2 4.03Å; F248-I270 HydrophobicContact CZ-CG1 4.46Å; F248-I270 HydrophobicContact CZ-CG2 3.65Å; F248-I273 HydrophobicContact CD2-CD1 3.68Å; F248-I273 HydrophobicContact CD2-CG2 4.38Å; F248-I273 HydrophobicContact CE1-CG2 4.38Å; F248-I273 HydrophobicContact CE2-CD1 3.68Å; F248-I273 HydrophobicContact CE2-CG2 4.2Å; F248-I273 HydrophobicContact CZ-CG2 4.19Å; F248-T374 HydrophobicContact CD1-CG2 4.49Å; F248-T374 HydrophobicContact CE1-CG2 4.47Å; F248-L378 HydrophobicContact CE1-CD1 4.09Å; F248-L378 HydrophobicContact CZ-CD1 4.41Å
249R93Very high90.7Very high75 Ų7530.6 Ų30.628%0.28314%0.142SC..Hα-helixtrans-64.5-44.5178.4-49.7-149.1173.3155.3-6.3112L245 R246 L252 G253 T374 L386L245-R249 WeakPolarHBondContact O-CG 3.39Å; L245-R249 PolarHBondContact O-N 3.49Å; R246-R249 WeakPolarHBondContact O-CB 3.32Å; R246-R249 PolarHBondContact O-N 3.43Å; R249-L252 PolarHBondContact O-N 3.09Å; R249-G253 PolarHBondContact O-N 3.45Å; R249-G253 VanDerWaalsContact O-N 3.14Å; R249-T374 PolarHBondContact NH2-OG1 2.96Å; R249-L386 HydrophobicContact CB-CD2 3.74Å; R249-L386 HydrophobicContact CG-CD1 4.48Å; R249-L386 HydrophobicContact CG-CD2 3.74Å; R249-L386 HydrophobicContact CG-CG 4.36Å
250E91.9Very high90.6Very high71 Ų7136.6 Ų36.633%0.33216%0.162SC..Hα-helixtrans-61.6-49.6178.9-73.5174.6-169.900110.4I178 R246 A247 L252 G253 Y254I178-E250 HydrophobicContact CD1-CB 4.12Å; R246-E250 HydrophobicContact CG-CG 4.5Å; R246-E250 WeakPolarHBondContact CG-OE1 3.17Å; R246-E250 WeakPolarHBondContact O-CG 3.29Å; R246-E250 PolarHBondContact O-N 3.23Å; A247-E250 PolarHBondContact O-N 3.11Å; E250-L252 VanDerWaalsContact C-N 3.31Å; E250-L252 PolarHBondContact O-N 3.07Å; E250-G253 WeakPolarHBondContact O-CA 3.18Å; E250-G253 PolarHBondContact O-N 2.92Å; E250-Y254 VanDerWaalsContact O-CD2 3.31Å; E250-Y254 WeakPolarHBondContact O-CD2 3.29Å; E250-Y254 PolarHBondContact O-N 2.99Å
251L91.9Very high90.5Very high1 Ų143.4 Ų43.41%0.00519%0.194CC..Hα-helixtrans-57.3-43.6179.2-173.758.1000111.9T177 I178 V222 M225 F226 A247 G253 Y254 L255T177-L251 HydrophobicContact CG2-CD1 3.73Å; T177-L251 HydrophobicContact CG2-CD2 4.43Å; I178-L251 HydrophobicContact CG1-CD1 4.32Å; V222-L251 HydrophobicContact CG1-CD2 4.42Å; M225-L251 HydrophobicContact CB-CD2 4.19Å; M225-L251 HydrophobicContact CG-CD2 4Å; F226-L251 HydrophobicContact CD1-CD2 3.9Å; F226-L251 HydrophobicContact CE1-CD2 3.52Å; F226-L251 HydrophobicContact CE1-CG 4.23Å; F226-L251 HydrophobicContact CZ-CD2 4.07Å; A247-L251 VanDerWaalsContact O-CB 3.3Å; A247-L251 WeakPolarHBondContact O-CB 3.33Å; A247-L251 PolarHBondContact O-N 3.47Å; L251-G253 VanDerWaalsContact C-N 3.28Å; L251-G253 PolarHBondContact O-N 3.32Å; L251-Y254 PolarHBondContact O-N 3.26Å; L251-L255 HydrophobicContact CD1-CG 4.48Å; L251-L255 HydrophobicContact CG-CD1 4.1Å; L251-L255 HydrophobicContact CG-CG 4.44Å; L251-L255 VanDerWaalsContact O-CG 3.28Å; L251-L255 WeakPolarHBondContact O-CG 3.41Å; L251-L255 PolarHBondContact O-N 2.76Å
252L91.2Very high90.3Very high1 Ų146 Ų461%0.00521%0.21CC..Hα-helixtrans-62.1-33.4175-69.5177.5000113.5F226 F248 R249 E250 Y254 L255 I270 L378 L386 I388 G389F226-L252 HydrophobicContact CZ-CD2 4.45Å; F248-L252 HydrophobicContact CD1-CD1 4.22Å; F248-L252 HydrophobicContact CE1-CD1 3.69Å; F248-L252 HydrophobicContact CE2-CD1 4.01Å; F248-L252 HydrophobicContact CE2-CD2 4.4Å; F248-L252 HydrophobicContact CE2-CG 4.22Å; F248-L252 HydrophobicContact CZ-CD1 3.57Å; F248-L252 HydrophobicContact CZ-CG 4.28Å; F248-L252 WeakPolarHBondContact O-CG 3.23Å; F248-L252 PolarHBondContact O-N 3.25Å; F248-L252 VanDerWaalsContact O-N 3.16Å; R249-L252 PolarHBondContact O-N 3.09Å; E250-L252 VanDerWaalsContact C-N 3.31Å; E250-L252 PolarHBondContact O-N 3.07Å; L252-Y254 PolarHBondContact O-N 2.88Å; L252-L255 HydrophobicContact CD2-CD1 4.44Å; L252-L255 PolarHBondContact O-N 2.86Å; L252-I270 HydrophobicContact CD2-CD1 3.5Å; L252-I270 VanDerWaalsContact CD2-CD1 3.5Å; L252-I270 HydrophobicContact CD2-CG1 4.35Å; L252-L378 HydrophobicContact CD1-CD2 3.88Å; L252-L386 HydrophobicContact CD1-CD2 3.81Å; L252-I388 WeakPolarHBondContact O-CA 3.36Å; L252-G389 PolarHBondContact O-N 3.49Å
253G89.6Confident90Very high0 Ų045.9 Ų45.90%021%0.207CC..Hα-helixtrans-63.8-29.7177.700000113.4R249 E250 L251 G389 R390 E391R249-G253 PolarHBondContact O-N 3.45Å; R249-G253 VanDerWaalsContact O-N 3.14Å; E250-G253 WeakPolarHBondContact O-CA 3.18Å; E250-G253 PolarHBondContact O-N 2.92Å; L251-G253 VanDerWaalsContact C-N 3.28Å; L251-G253 PolarHBondContact O-N 3.32Å; G253-G389 CarbonylContact O-C 3.45Å; G253-G389 WeakPolarHBondContact O-CA 3.24Å; G253-G389 PolarHBondContact O-N 3.25Å; G253-R390 PolarHBondContact O-N 2.94Å; G253-R390 VanDerWaalsContact O-N 3.13Å; G253-E391 PolarHBondContact O-N 3.31Å; G253-E391 VanDerWaalsContact O-N 3.14Å
254Y89.4Confident89.7Confident58 Ų5848.1 Ų48.123%0.22722%0.221CC..Hα-helixtrans-91.8-30.2175.6-71.4-84.9000113.2I178 I182 R185 E250 L251 L252 E391I178-Y254 HydrophobicContact CB-CD2 4.47Å; I178-Y254 HydrophobicContact CD1-CD2 3.9Å; I178-Y254 HydrophobicContact CD1-CE2 4.03Å; I178-Y254 HydrophobicContact CG1-CD2 4.01Å; I178-Y254 HydrophobicContact CG2-CD1 3.92Å; I178-Y254 HydrophobicContact CG2-CD2 3.63Å; I178-Y254 HydrophobicContact CG2-CE1 4.04Å; I178-Y254 HydrophobicContact CG2-CE2 3.79Å; I178-Y254 HydrophobicContact CG2-CG 3.72Å; I182-Y254 HydrophobicContact CD1-CD1 3.99Å; I182-Y254 HydrophobicContact CD1-CE1 3.9Å; I182-Y254 HydrophobicContact CG1-CD1 4.16Å; R185-Y254 PolarHBondContact NH1-O 3.07Å; R185-Y254 PolarHBondContact NH2-O 2.91Å; E250-Y254 VanDerWaalsContact O-CD2 3.31Å; E250-Y254 WeakPolarHBondContact O-CD2 3.29Å; E250-Y254 PolarHBondContact O-N 2.99Å; L251-Y254 PolarHBondContact O-N 3.26Å; L252-Y254 PolarHBondContact O-N 2.88Å; Y254-E391 HydrophobicContact CD1-CB 4.47Å; Y254-E391 HydrophobicContact CE1-CB 4.12Å; Y254-E391 HydrophobicContact CE2-CB 4.46Å; Y254-E391 WeakPolarHBondContact CE2-OE2 3.37Å; Y254-E391 PolarHBondContact OH-OE2 2.98Å
255L89.4Confident89.3Confident16 Ų1652.7 Ų52.78%0.08425%0.249CC..  trans-64.7155.7179.7-69.4175000112.5V181 V222 F226 L251 L252 L266 I388 G389V181-L255 HydrophobicContact CG1-CD2 4.3Å; V181-L255 HydrophobicContact CG2-CD2 4.25Å; V222-L255 HydrophobicContact CG1-CD1 4.05Å; V222-L255 HydrophobicContact CG1-CD2 4.27Å; V222-L255 HydrophobicContact CG2-CD2 4.09Å; F226-L255 HydrophobicContact CE2-CD1 4.38Å; F226-L255 HydrophobicContact CZ-CD1 3.78Å; L251-L255 HydrophobicContact CD1-CG 4.48Å; L251-L255 HydrophobicContact CG-CD1 4.1Å; L251-L255 HydrophobicContact CG-CG 4.44Å; L251-L255 VanDerWaalsContact O-CG 3.28Å; L251-L255 WeakPolarHBondContact O-CG 3.41Å; L251-L255 PolarHBondContact O-N 2.76Å; L252-L255 HydrophobicContact CD2-CD1 4.44Å; L252-L255 PolarHBondContact O-N 2.86Å; L255-L266 HydrophobicContact CB-CD2 4.15Å; L255-L266 HydrophobicContact CD1-CD1 3.77Å; L255-L266 HydrophobicContact CD1-CD2 4.22Å; L255-I388 WeakPolarHBondContact O-CG2 3.41Å; L255-G389 WeakPolarHBondContact O-CA 3.25Å; L255-G389 PolarHBondContact O-N 2.82Å
256V85.1Confident89Confident25 Ų2553.3 Ų53.315%0.15225%0.252CS..  trans-142.4139.9-173.8166.30000109.2R185 Y258 V392R185-V256 VanDerWaalsContact NH2-CB 3.34Å; V256-Y258 HydrophobicContact CG1-CD1 3.88Å; V256-Y258 HydrophobicContact CG1-CD2 3.61Å; V256-Y258 HydrophobicContact CG1-CE1 3.5Å; V256-Y258 VanDerWaalsContact CG1-CE1 3.5Å; V256-Y258 HydrophobicContact CG1-CE2 3.24Å; V256-Y258 HydrophobicContact CG1-CG 3.92Å; V256-V392 HydrophobicContact CG2-CB 4.36Å; V256-V392 HydrophobicContact CG2-CG1 4.23Å; V256-V392 HydrophobicContact CG2-CG2 3.96Å
257A85.2Confident88.8Confident0 Ų049.7 Ų49.70%024%0.24CC..  trans-131.3106.4172.900000109.4T262 Q263 L399 V401A257-T262 WeakPolarHBondContact CA-OG1 3.46Å; A257-Q263 HydrophobicContact CB-CB 4.2Å; A257-L399 VanDerWaalsContact O-CB 3.28Å; A257-L399 WeakPolarHBondContact O-CB 3.44Å; A257-L399 PolarHBondContact O-N 3.06Å; A257-V401 HydrophobicContact CB-CG2 4.3Å
258Y84.7Confident88.4Confident120 Ų12057.7 Ų57.747%0.47127%0.274SS..  trans-95.1-19.8178.4-64.8-52.6000113.3V256 S394 R397V256-Y258 HydrophobicContact CG1-CD1 3.88Å; V256-Y258 HydrophobicContact CG1-CD2 3.61Å; V256-Y258 HydrophobicContact CG1-CE1 3.5Å; V256-Y258 VanDerWaalsContact CG1-CE1 3.5Å; V256-Y258 HydrophobicContact CG1-CE2 3.24Å; V256-Y258 HydrophobicContact CG1-CG 3.92Å; Y258-S394 WeakPolarHBondContact OH-CB 3.27Å; Y258-R397 HydrophobicContact CD1-CB 4.27Å; Y258-R397 HydrophobicContact CE1-CB 4.02Å
259N87.7Confident88.1Confident72 Ų7259.2 Ų59.239%0.38529%0.286SS..SBendtrans-127.9154.9-177.255.4-5.2000110.6E261 T262 Q263N259-E261 PolarHBondContact O-N 2.83Å; N259-T262 PolarHBondContact O-N 3.1Å; N259-T262 PolarHBondContact O-OG1 3.2Å; N259-T262 WeakPolarHBondContact OD1-CB 3.49Å; N259-T262 WeakPolarHBondContact OD1-CG2 3.13Å; N259-T262 PolarHBondContact OD1-N 3.14Å; N259-T262 PolarHBondContact OD1-OG1 2.79Å; N259-Q263 PolarHBondContact O-N 3.1Å
260K86.8Confident87.9Confident159 Ų15956 Ų5669%0.69128%0.275SS*.Hα-helixtrans-60.5-31.3-178.3-167173.5-178.5-177.90112.2Q263 T264K260-Q263 WeakPolarHBondContact O-CB 3.32Å; K260-Q263 PolarHBondContact O-N 3.3Å; K260-T264 VanDerWaalsContact O-CG2 3.26Å; K260-T264 WeakPolarHBondContact O-CG2 3.43Å; K260-T264 PolarHBondContact O-N 2.95Å; K260-T264 PolarHBondContact O-OG1 3.38Å
261E85.8Confident87.8Confident143 Ų14352.8 Ų52.867%0.66826%0.261SS*.Hα-helixtrans-62.7-54.8176.2-67.7172.1-172.100111.8N259 Q263 T264 V265N259-E261 PolarHBondContact O-N 2.83Å; E261-Q263 VanDerWaalsContact C-N 3.28Å; E261-Q263 PolarHBondContact O-N 2.86Å; E261-T264 PolarHBondContact O-N 3.42Å; E261-T264 PolarHBondContact O-OG1 3.44Å; E261-V265 WeakPolarHBondContact O-CG2 3.28Å; E261-V265 PolarHBondContact O-N 3.16Å
262T84.5Confident87.6Confident56 Ų5653.9 Ų53.934%0.34427%0.268SS..Hα-helixtrans-63.2-36.4177.558.90000112A257 N259 T264 V265 L266A257-T262 WeakPolarHBondContact CA-OG1 3.46Å; N259-T262 PolarHBondContact O-N 3.1Å; N259-T262 PolarHBondContact O-OG1 3.2Å; N259-T262 WeakPolarHBondContact OD1-CB 3.49Å; N259-T262 WeakPolarHBondContact OD1-CG2 3.13Å; N259-T262 PolarHBondContact OD1-N 3.14Å; N259-T262 PolarHBondContact OD1-OG1 2.79Å; T262-T264 VanDerWaalsContact C-N 3.32Å; T262-T264 PolarHBondContact O-N 3.01Å; T262-V265 PolarHBondContact O-N 3.31Å; T262-L266 VanDerWaalsContact O-CB 3.29Å; T262-L266 WeakPolarHBondContact O-CB 3.35Å; T262-L266 PolarHBondContact O-N 3.4Å
263Q86.9Confident87.7Confident37 Ų3753.9 Ų53.917%0.17327%0.268CS..Hα-helixtrans-56.3-46.6172.3-170.6-164.917.200111A257 N259 K260 E261 L266 Q267 P400A257-Q263 HydrophobicContact CB-CB 4.2Å; N259-Q263 PolarHBondContact O-N 3.1Å; K260-Q263 WeakPolarHBondContact O-CB 3.32Å; K260-Q263 PolarHBondContact O-N 3.3Å; E261-Q263 VanDerWaalsContact C-N 3.28Å; E261-Q263 PolarHBondContact O-N 2.86Å; Q263-L266 PolarHBondContact O-N 2.79Å; Q263-Q267 WeakPolarHBondContact O-CB 3.24Å; Q263-Q267 WeakPolarHBondContact O-CG 3.15Å; Q263-Q267 PolarHBondContact O-N 3.5Å; Q263-P400 PolarHBondContact NE2-O 2.87Å
264T85.8Confident87.8Confident56 Ų5654 Ų5434%0.34427%0.269SS..Hα-helixtrans-69.5-38179.259.80000113.2K260 E261 T262 L266 Q267 K268K260-T264 VanDerWaalsContact O-CG2 3.26Å; K260-T264 WeakPolarHBondContact O-CG2 3.43Å; K260-T264 PolarHBondContact O-N 2.95Å; K260-T264 PolarHBondContact O-OG1 3.38Å; E261-T264 PolarHBondContact O-N 3.42Å; E261-T264 PolarHBondContact O-OG1 3.44Å; T262-T264 VanDerWaalsContact C-N 3.32Å; T262-T264 PolarHBondContact O-N 3.01Å; T264-L266 VanDerWaalsContact C-N 3.33Å; T264-Q267 PolarHBondContact O-N 3.27Å; T264-K268 WeakPolarHBondContact O-CB 3.48Å; T264-K268 WeakPolarHBondContact O-CG 3.46Å; T264-K268 PolarHBondContact O-N 3.26Å
265V86.9Confident87.7Confident96 Ų9653 Ų5358%0.58227%0.265SS*.Hα-helixtrans-62.2-44.7175.2172.80000110E261 T262 K268 A269E261-V265 WeakPolarHBondContact O-CG2 3.28Å; E261-V265 PolarHBondContact O-N 3.16Å; T262-V265 PolarHBondContact O-N 3.31Å; V265-K268 PolarHBondContact O-N 3.46Å; V265-A269 WeakPolarHBondContact O-CB 3.2Å; V265-A269 PolarHBondContact O-N 2.85Å
266L87.9Confident87.6Confident17 Ų1753.1 Ų53.19%0.08926%0.264CS..Hα-helixtrans-70.2-38.7-180-172.950000112.2F226 L255 T262 Q263 T264 K268 A269 I270 V401F226-L266 HydrophobicContact CE2-CD1 3.76Å; F226-L266 HydrophobicContact CZ-CD1 4.03Å; L255-L266 HydrophobicContact CB-CD2 4.15Å; L255-L266 HydrophobicContact CD1-CD1 3.77Å; L255-L266 HydrophobicContact CD1-CD2 4.22Å; T262-L266 VanDerWaalsContact O-CB 3.29Å; T262-L266 WeakPolarHBondContact O-CB 3.35Å; T262-L266 PolarHBondContact O-N 3.4Å; Q263-L266 PolarHBondContact O-N 2.79Å; T264-L266 VanDerWaalsContact C-N 3.33Å; L266-K268 VanDerWaalsContact C-N 3.32Å; L266-K268 PolarHBondContact O-N 2.83Å; L266-A269 PolarHBondContact O-N 2.93Å; L266-I270 HydrophobicContact CD1-CD1 3.75Å; L266-I270 HydrophobicContact CD1-CG1 4.1Å; L266-I270 HydrophobicContact CG-CD1 3.8Å; L266-I270 WeakPolarHBondContact O-CD1 3.4Å; L266-I270 VanDerWaalsContact O-CG1 3.32Å; L266-I270 WeakPolarHBondContact O-CG1 3.32Å; L266-I270 PolarHBondContact O-N 3.33Å; L266-V401 HydrophobicContact CB-CG1 4.19Å; L266-V401 HydrophobicContact CB-CG2 4.44Å; L266-V401 HydrophobicContact CD2-CB 4.47Å; L266-V401 HydrophobicContact CD2-CG1 4.25Å; L266-V401 HydrophobicContact CD2-CG2 3.42Å; L266-V401 VanDerWaalsContact CD2-CG2 3.42Å; L266-V401 HydrophobicContact CG-CG1 3.83Å; L266-V401 HydrophobicContact CG-CG2 3.95Å
267Q89.8Confident88Confident36 Ų3652 Ų5217%0.16826%0.257CS..Hα-helixtrans-58.3-43.5170.9-78.4170.8-1.800112Q263 T264 G271 V401 H406Q263-Q267 WeakPolarHBondContact O-CB 3.24Å; Q263-Q267 WeakPolarHBondContact O-CG 3.15Å; Q263-Q267 PolarHBondContact O-N 3.5Å; T264-Q267 PolarHBondContact O-N 3.27Å; Q267-G271 PolarHBondContact O-N 3.31Å; Q267-G271 VanDerWaalsContact O-N 3.16Å; Q267-V401 HydrophobicContact CG-CG1 3.8Å; Q267-V401 WeakPolarHBondContact CG-O 3.06Å; Q267-V401 PolarHBondContact NE2-O 3.46Å; Q267-H406 VanDerWaalsContact CD-ND1 3.29Å; Q267-H406 VanDerWaalsContact CG-CE1 3.44Å; Q267-H406 WeakPolarHBondContact CG-CE1 3.45Å; Q267-H406 PolarHBondContact NE2-ND1 3.36Å; Q267-H406 PolarHBondContact OE1-CE1 2.81Å; Q267-H406 PolarHBondContact OE1-ND1 3.46Å
268K87.4Confident88.1Confident172 Ų17252 Ų5275%0.74826%0.257SS*.Hα-helixtrans-64-42.4175.7-75179.1178.7-175.30111.7T264 V265 L266 I270 G271T264-K268 WeakPolarHBondContact O-CB 3.48Å; T264-K268 WeakPolarHBondContact O-CG 3.46Å; T264-K268 PolarHBondContact O-N 3.26Å; V265-K268 PolarHBondContact O-N 3.46Å; L266-K268 VanDerWaalsContact C-N 3.32Å; L266-K268 PolarHBondContact O-N 2.83Å; K268-I270 PolarHBondContact O-N 2.87Å; K268-G271 PolarHBondContact O-N 3.4Å
269A88.6Confident88.1Confident32 Ų3248 Ų4826%0.26424%0.241SC..Hα-helixtrans-66.3-35-179.400000113.2F226 V265 L266F226-A269 HydrophobicContact CD2-CB 3.94Å; F226-A269 HydrophobicContact CE2-CB 4.07Å; V265-A269 WeakPolarHBondContact O-CB 3.2Å; V265-A269 PolarHBondContact O-N 2.85Å; L266-A269 PolarHBondContact O-N 2.93Å
270I90.8Very high88Confident7 Ų744.9 Ų44.94%0.03622%0.224CC..Hα-helixtrans-80.6-21.3179-67.1163.2000112.1F226 F248 L252 L266 K268 I273 L274 V401F226-I270 HydrophobicContact CE1-CG1 4.42Å; F226-I270 HydrophobicContact CE2-CG1 3.93Å; F226-I270 HydrophobicContact CZ-CD1 4.43Å; F226-I270 HydrophobicContact CZ-CG1 3.82Å; F248-I270 HydrophobicContact CE2-CG1 4.16Å; F248-I270 HydrophobicContact CE2-CG2 4.03Å; F248-I270 HydrophobicContact CZ-CG1 4.46Å; F248-I270 HydrophobicContact CZ-CG2 3.65Å; L252-I270 HydrophobicContact CD2-CD1 3.5Å; L252-I270 VanDerWaalsContact CD2-CD1 3.5Å; L252-I270 HydrophobicContact CD2-CG1 4.35Å; L266-I270 HydrophobicContact CD1-CD1 3.75Å; L266-I270 HydrophobicContact CD1-CG1 4.1Å; L266-I270 HydrophobicContact CG-CD1 3.8Å; L266-I270 WeakPolarHBondContact O-CD1 3.4Å; L266-I270 VanDerWaalsContact O-CG1 3.32Å; L266-I270 WeakPolarHBondContact O-CG1 3.32Å; L266-I270 PolarHBondContact O-N 3.33Å; K268-I270 PolarHBondContact O-N 2.87Å; I270-I273 WeakPolarHBondContact O-CB 3.36Å; I270-I273 PolarHBondContact O-N 3.36Å; I270-L274 HydrophobicContact CG2-CD1 4.03Å; I270-L274 HydrophobicContact CG2-CD2 3.84Å; I270-L274 HydrophobicContact CG2-CG 3.71Å; I270-L274 PolarHBondContact O-N 3.15Å; I270-L274 VanDerWaalsContact O-N 3.11Å; I270-V401 HydrophobicContact CD1-CG1 3.81Å
271G89.4Confident88.1Confident4 Ų438 Ų384%0.04120%0.196CC..Hα-helixtrans-47.3-48.6-176.600000115.7Q267 K268 I273 L274 R275Q267-G271 PolarHBondContact O-N 3.31Å; Q267-G271 VanDerWaalsContact O-N 3.16Å; K268-G271 PolarHBondContact O-N 3.4Å; G271-I273 PolarHBondContact O-N 3.09Å; G271-L274 PolarHBondContact O-N 2.89Å; G271-R275 PolarHBondContact O-N 3.33Å
272P87.7Confident87.8Confident24 Ų2431.3 Ų31.316%0.15617%0.165CC..Hα-helixtrans-58.7-41.9177.1-25.334.3000113.6Q230 L274 R275 R276Q230-P272 VanDerWaalsContact OE1-CB 3.29Å; P272-L274 VanDerWaalsContact C-N 3.35Å; P272-L274 PolarHBondContact O-N 3.35Å; P272-R275 PolarHBondContact O-N 2.91Å; P272-R276 PolarHBondContact O-N 2.89Å
273I92.1Very high87.1Confident1 Ų129.5 Ų29.51%0.00516%0.157CC..Hα-helixtrans-61.5-45.1175.4-64.5171.2000109.9F226 I229 Q230 L233 F248 I270 G271 R275 R276 L277F226-I273 HydrophobicContact CB-CD1 3.85Å; F226-I273 HydrophobicContact CD1-CD1 3.55Å; F226-I273 HydrophobicContact CE1-CD1 4.37Å; F226-I273 HydrophobicContact CG-CD1 3.93Å; I229-I273 HydrophobicContact CB-CD1 4.26Å; I229-I273 HydrophobicContact CG2-CD1 3.89Å; I229-I273 HydrophobicContact CG2-CG1 4.34Å; Q230-I273 HydrophobicContact CB-CG1 4.25Å; L233-I273 HydrophobicContact CD1-CG2 3.91Å; F248-I273 HydrophobicContact CD2-CD1 3.68Å; F248-I273 HydrophobicContact CD2-CG2 4.38Å; F248-I273 HydrophobicContact CE1-CG2 4.38Å; F248-I273 HydrophobicContact CE2-CD1 3.68Å; F248-I273 HydrophobicContact CE2-CG2 4.2Å; F248-I273 HydrophobicContact CZ-CG2 4.19Å; I270-I273 WeakPolarHBondContact O-CB 3.36Å; I270-I273 PolarHBondContact O-N 3.36Å; G271-I273 PolarHBondContact O-N 3.09Å; I273-R275 PolarHBondContact O-N 3.2Å; I273-R276 WeakPolarHBondContact O-CB 3.45Å; I273-R276 PolarHBondContact O-N 3.22Å; I273-R276 VanDerWaalsContact O-N 3.16Å; I273-L277 HydrophobicContact CG2-CD1 4.29Å; I273-L277 HydrophobicContact CG2-CG 4.42Å; I273-L277 WeakPolarHBondContact O-CG 3.34Å; I273-L277 PolarHBondContact O-N 2.8Å
274L91.8Very high85.6Confident4 Ų427.9 Ų27.92%0.02115%0.15CC..Hα-helixtrans-64.1-39.1179-56.1-178000112.5I270 G271 P272 R276 L277 L278 L375 L378 M407 F410I270-L274 HydrophobicContact CG2-CD1 4.03Å; I270-L274 HydrophobicContact CG2-CD2 3.84Å; I270-L274 HydrophobicContact CG2-CG 3.71Å; I270-L274 PolarHBondContact O-N 3.15Å; I270-L274 VanDerWaalsContact O-N 3.11Å; G271-L274 PolarHBondContact O-N 2.89Å; P272-L274 VanDerWaalsContact C-N 3.35Å; P272-L274 PolarHBondContact O-N 3.35Å; L274-R276 VanDerWaalsContact C-N 3.33Å; L274-L277 PolarHBondContact O-N 2.89Å; L274-L278 WeakPolarHBondContact O-CG 3.39Å; L274-L278 PolarHBondContact O-N 3.46Å; L274-L375 HydrophobicContact CB-CD2 4.34Å; L274-L375 HydrophobicContact CD2-CD2 3.73Å; L274-L378 HydrophobicContact CD2-CD1 3.46Å; L274-L378 VanDerWaalsContact CD2-CD1 3.46Å; L274-M407 HydrophobicContact CD1-CE 4.48Å; L274-F410 HydrophobicContact CB-CD1 4.3Å; L274-F410 HydrophobicContact CB-CE1 3.4Å; L274-F410 HydrophobicContact CB-CE2 4.37Å; L274-F410 HydrophobicContact CB-CZ 3.44Å; L274-F410 VanDerWaalsContact CB-CZ 3.44Å; L274-F410 HydrophobicContact CD1-CD1 4.2Å; L274-F410 HydrophobicContact CD1-CD2 4.47Å; L274-F410 HydrophobicContact CD1-CE1 4.03Å; L274-F410 HydrophobicContact CD1-CE2 4.31Å; L274-F410 HydrophobicContact CD1-CG 4.41Å; L274-F410 HydrophobicContact CD1-CZ 4.08Å; L274-F410 HydrophobicContact CG-CE1 4.36Å; L274-F410 HydrophobicContact CG-CZ 4.35Å
275R88.1Confident83.6Confident37 Ų3726 Ų2614%0.1414%0.139CC..Hα-helixtrans-60.8-44.3172.7-79.5-176.6-72.6-105.3-6.5110.7D17 G271 P272 I273 L277 L278 R279 F410 H421D17-R275 VanDerWaalsContact C-NH2 3.32Å; D17-R275 PolarHBondContact O-NE 2.86Å; D17-R275 PolarHBondContact O-NH2 3.32Å; D17-R275 IonicContact OD1-CZ 3.51Å; D17-R275 IonicContact OD1-NE 3.24Å; D17-R275 IonicContact OD1-NH1 3.65Å; D17-R275 PolarHBondContact OD1-NH1 3.02Å; G271-R275 PolarHBondContact O-N 3.33Å; P272-R275 PolarHBondContact O-N 2.91Å; I273-R275 PolarHBondContact O-N 3.2Å; R275-L277 PolarHBondContact O-N 3.41Å; R275-L278 WeakPolarHBondContact O-CB 3.13Å; R275-L278 PolarHBondContact O-N 3.37Å; R275-R279 PolarHBondContact O-N 2.88Å; R275-R279 VanDerWaalsContact O-N 3.11Å; R275-F410 HydrophobicContact CG-CZ 3.95Å; R275-H421 PolarHBondContact O-NE2 3.03Å
276R88Confident81.4Confident18 Ų1825.6 Ų25.67%0.06813%0.133CC..Hα-helixtrans-58.8-46.2175.2-156.674.4-158.9174.9-12112.4L233 D234 P272 I273 L274 L278 R279 F280L233-R276 HydrophobicContact CB-CG 4.27Å; L233-R276 HydrophobicContact CD1-CB 4.46Å; D234-R276 IonicContact OD1-CZ 2.77Å; D234-R276 IonicContact OD1-NE 2.67Å; D234-R276 PolarHBondContact OD1-NE 3.47Å; D234-R276 IonicContact OD1-NH2 3.56Å; D234-R276 PolarHBondContact OD1-NH2 3.05Å; D234-R276 IonicContact OD2-CZ 3.79Å; D234-R276 IonicContact OD2-NE 3.11Å; D234-R276 PolarHBondContact OD2-NE 3.07Å; D234-R276 IonicContact OD2-NH1 3.79Å; D234-R276 IonicContact OD2-NH2 3.87Å; D234-R276 PolarHBondContact OD2-NH2 3.19Å; P272-R276 PolarHBondContact O-N 2.89Å; I273-R276 WeakPolarHBondContact O-CB 3.45Å; I273-R276 PolarHBondContact O-N 3.22Å; I273-R276 VanDerWaalsContact O-N 3.16Å; L274-R276 VanDerWaalsContact C-N 3.33Å; R276-L278 PolarHBondContact O-N 3.01Å; R276-R279 WeakPolarHBondContact O-CB 3.28Å; R276-R279 PolarHBondContact O-N 3.43Å; R276-F280 HydrophobicContact CG-CE2 4.35Å; R276-F280 WeakPolarHBondContact O-CD2 3.34Å; R276-F280 PolarHBondContact O-N 2.92Å
277L91.6Very high79Confident0 Ų025.4 Ų25.40%013%0.132CC..Hα-helixtrans-63.3-39.8176.3-64179.6000112.4L233 L245 I273 L274 R275 R279 F280 V281 A371 T374 L375L233-L277 HydrophobicContact CD1-CD2 3.98Å; L233-L277 HydrophobicContact CD1-CG 4.46Å; L233-L277 HydrophobicContact CD2-CD2 4.14Å; L245-L277 HydrophobicContact CD2-CD1 4.32Å; L245-L277 HydrophobicContact CD2-CD2 3.77Å; I273-L277 HydrophobicContact CG2-CD1 4.29Å; I273-L277 HydrophobicContact CG2-CG 4.42Å; I273-L277 WeakPolarHBondContact O-CG 3.34Å; I273-L277 PolarHBondContact O-N 2.8Å; L274-L277 PolarHBondContact O-N 2.89Å; R275-L277 PolarHBondContact O-N 3.41Å; L277-R279 PolarHBondContact O-N 2.88Å; L277-F280 PolarHBondContact O-N 3.33Å; L277-F280 VanDerWaalsContact O-N 3.12Å; L277-V281 WeakPolarHBondContact O-CG2 3.5Å; L277-V281 PolarHBondContact O-N 3.25Å; L277-A371 HydrophobicContact CB-CB 4.23Å; L277-A371 HydrophobicContact CD2-CB 3.87Å; L277-T374 HydrophobicContact CD1-CG2 4.04Å; L277-L375 HydrophobicContact CB-CD1 4.07Å; L277-L375 HydrophobicContact CB-CD2 4.15Å; L277-L375 HydrophobicContact CB-CG 4.09Å; L277-L375 HydrophobicContact CD1-CD2 4.16Å; L277-L375 HydrophobicContact CD1-CG 4.35Å
278L88.9Confident76.3Confident1 Ų126.9 Ų26.91%0.00514%0.136CC..Hα-helixtrans-59.2-36.3175.3-75.8170000112L274 R275 R276 V281 G282 L375 F410 V411 G424 R425 V428L274-L278 WeakPolarHBondContact O-CG 3.39Å; L274-L278 PolarHBondContact O-N 3.46Å; R275-L278 WeakPolarHBondContact O-CB 3.13Å; R275-L278 PolarHBondContact O-N 3.37Å; R276-L278 PolarHBondContact O-N 3.01Å; L278-V281 PolarHBondContact O-N 3.39Å; L278-G282 PolarHBondContact O-N 3.07Å; L278-L375 HydrophobicContact CD2-CD1 3.85Å; L278-L375 HydrophobicContact CG-CD1 4.13Å; L278-F410 HydrophobicContact CD1-CD1 4.31Å; L278-F410 HydrophobicContact CD1-CE1 3.69Å; L278-V411 HydrophobicContact CD2-CG2 4.43Å; L278-G424 WeakPolarHBondContact O-CA 3.38Å; L278-R425 HydrophobicContact CD1-CG 3.98Å; L278-R425 HydrophobicContact CD2-CG 4.19Å; L278-V428 HydrophobicContact CD2-CB 4.48Å; L278-V428 HydrophobicContact CD2-CG2 3.86Å
279R84.4Confident73.7Confident36 Ų3623.7 Ų23.714%0.13613%0.128CC..Hα-helixtrans-62.5-42.8174.4-178.3179.5164.3167.2-4.1112.1R275 R276 L277 G282 Q284R275-R279 PolarHBondContact O-N 2.88Å; R275-R279 VanDerWaalsContact O-N 3.11Å; R276-R279 WeakPolarHBondContact O-CB 3.28Å; R276-R279 PolarHBondContact O-N 3.43Å; L277-R279 PolarHBondContact O-N 2.88Å; R279-G282 PolarHBondContact O-N 3.42Å; R279-Q284 HydrophobicContact CG-CB 4.3Å
280F85.6Confident70.9Confident7 Ų726.7 Ų26.73%0.03114%0.139CC..Hα-helixtrans-62.7-49.5174.9-80.8-79.3000111.5L233 F241 R276 L277 G282 G283 F364 R367 C368 A371L233-F280 VanDerWaalsContact O-CE2 3.23Å; L233-F280 WeakPolarHBondContact O-CE2 3.46Å; L233-F280 WeakPolarHBondContact O-CZ 3.2Å; F241-F280 HydrophobicContact CD2-CZ 4.37Å; F241-F280 HydrophobicContact CE2-CD1 4.29Å; F241-F280 HydrophobicContact CE2-CD2 4.1Å; F241-F280 HydrophobicContact CE2-CE1 4.14Å; F241-F280 AromaticContact CE2-CE2 3.94Å; F241-F280 HydrophobicContact CE2-CE2 3.94Å; F241-F280 HydrophobicContact CE2-CG 4.28Å; F241-F280 AromaticContact CE2-CZ 3.97Å; F241-F280 HydrophobicContact CE2-CZ 3.97Å; R276-F280 HydrophobicContact CG-CE2 4.35Å; R276-F280 WeakPolarHBondContact O-CD2 3.34Å; R276-F280 PolarHBondContact O-N 2.92Å; L277-F280 PolarHBondContact O-N 3.33Å; L277-F280 VanDerWaalsContact O-N 3.12Å; F280-G282 PolarHBondContact O-N 2.88Å; F280-G282 VanDerWaalsContact O-N 3.12Å; F280-G283 PolarHBondContact O-N 3.01Å; F280-F364 AromaticContact CD1-CE2 3.85Å; F280-F364 HydrophobicContact CD1-CE2 3.85Å; F280-F364 HydrophobicContact CD1-CZ 4.5Å; F280-F364 HydrophobicContact CE1-CE2 4.11Å; F280-R367 HydrophobicContact CD1-CB 4.17Å; F280-C368 PolarHBondContact O-SG 2.82Å; F280-A371 HydrophobicContact CB-CB 3.87Å
281V88.3Confident67.8Low15 Ų1530.6 Ų30.69%0.09115%0.153CC..Hα-helixtrans-57.2-32.1176.2-177.70000111.8L277 L278 G283 A371 L372 L375 T427 V428L277-V281 WeakPolarHBondContact O-CG2 3.5Å; L277-V281 PolarHBondContact O-N 3.25Å; L278-V281 PolarHBondContact O-N 3.39Å; V281-G283 PolarHBondContact O-N 2.78Å; V281-A371 HydrophobicContact CG2-CB 3.96Å; V281-L372 HydrophobicContact CG1-CB 4.21Å; V281-L372 HydrophobicContact CG1-CD1 3.96Å; V281-L372 HydrophobicContact CG1-CG 4.49Å; V281-L372 HydrophobicContact CG2-CB 3.76Å; V281-L372 HydrophobicContact CG2-CD1 4.42Å; V281-L375 HydrophobicContact CG2-CD1 4.02Å; V281-T427 WeakPolarHBondContact CG1-OG1 3.43Å; V281-V428 HydrophobicContact CG1-CG2 4.48Å
282G79.3Confident64.8Low2 Ų235.7 Ų35.72%0.02118%0.18CC..THydrogen-bonded Turntrans-62.1-21.7174.700000116.3L278 R279 F280 T420 I423L278-G282 PolarHBondContact O-N 3.07Å; R279-G282 PolarHBondContact O-N 3.42Å; F280-G282 PolarHBondContact O-N 2.88Å; F280-G282 VanDerWaalsContact O-N 3.12Å; G282-T420 WeakPolarHBondContact CA-O 3.1Å; G282-I423 WeakPolarHBondContact O-CG2 3.15Å
283G69.7Low61.9Low18 Ų1840.4 Ų40.419%0.18621%0.21CC..THydrogen-bonded Turntrans91.439.1176.100000115.9F280 V281 S285 Y596F280-G283 PolarHBondContact O-N 3.01Å; V281-G283 PolarHBondContact O-N 2.78Å; G283-S285 PolarHBondContact O-N 2.97Å; G283-Y596 PolarHBondContact O-OH 3.45Å
284Q55.3Low58.9Low3 Ų348.6 Ų48.61%0.01425%0.248CC..  trans-74.593.3174.9-17575.5200113.3R279 L287 W288 F364 T420R279-Q284 HydrophobicContact CG-CB 4.3Å; Q284-L287 VanDerWaalsContact NE2-CB 3.34Å; Q284-W288 VanDerWaalsContact O-CD1 3.31Å; Q284-F364 WeakPolarHBondContact O-CE2 3.41Å; Q284-F364 WeakPolarHBondContact O-CZ 3.43Å; Q284-T420 HydrophobicContact CB-CG2 4.31Å
285S45.2Very low55.7Low17 Ų1751.9 Ų51.912%0.11927%0.272CS..  trans-148.4-3.2163.168.80000119.6G283 L287 W288 N289 F364G283-S285 PolarHBondContact O-N 2.97Å; S285-L287 PolarHBondContact O-N 2.87Å; S285-L287 VanDerWaalsContact O-N 3.14Å; S285-W288 PolarHBondContact O-N 3.15Å; S285-N289 PolarHBondContact O-N 3.2Å; S285-F364 VanDerWaalsContact CB-CD1 3.45Å; S285-F364 VanDerWaalsContact CB-CG 3.45Å; S285-F364 WeakPolarHBondContact OG-CD1 3.44Å; S285-F364 WeakPolarHBondContact OG-CE1 3.36Å; S285-F364 WeakPolarHBondContact OG-CG 3.41Å
286N39.6Very low52.6Low87 Ų8757.9 Ų57.947%0.46530%0.299SS..THydrogen-bonded Turntrans-64.7-20164.8-73.310.8000111.3Y596N286-Y596 HydrophobicContact CB-CD2 3.76Å; N286-Y596 HydrophobicContact CB-CE2 3.63Å; N286-Y596 HydrophobicContact CB-CG 4.45Å; N286-Y596 VanDerWaalsContact ND2-CD2 3.34Å; N286-Y596 WeakPolarHBondContact ND2-CD2 3.23Å
287L37.4Very low49.6Very low13 Ų1362.8 Ų62.87%0.06833%0.326CS..THydrogen-bonded Turntrans-82.3-19.5172.6-95.8160.5000114.9V25 Q284 S285 N289 L290 R291V25-L287 VanDerWaalsContact CA-CD2 3.48Å; V25-L287 HydrophobicContact CB-CD2 4.05Å; V25-L287 HydrophobicContact CG1-CD2 4Å; V25-L287 HydrophobicContact CG2-CD1 4.2Å; V25-L287 HydrophobicContact CG2-CD2 4.12Å; Q284-L287 VanDerWaalsContact NE2-CB 3.34Å; S285-L287 PolarHBondContact O-N 2.87Å; S285-L287 VanDerWaalsContact O-N 3.14Å; L287-N289 VanDerWaalsContact C-N 3.34Å; L287-L290 HydrophobicContact CD2-CB 4.08Å; L287-L290 HydrophobicContact CD2-CD1 3.92Å; L287-L290 HydrophobicContact CG-CD1 4.27Å; L287-L290 PolarHBondContact O-N 3.35Å; L287-R291 PolarHBondContact O-N 2.77Å; L287-R291 VanDerWaalsContact O-N 3.07Å
288W32.9Very low46.3Very low66 Ų6669.1 Ų69.125%0.2537%0.367CS..THydrogen-bonded Turntrans-71.3-34.6170.1-83.285.9000110.8D234 P236 Q284 S285 L290 R291D234-W288 WeakPolarHBondContact O-CH2 3.2Å; P236-W288 HydrophobicContact CB-CZ3 3.91Å; Q284-W288 VanDerWaalsContact O-CD1 3.31Å; S285-W288 PolarHBondContact O-N 3.15Å; W288-L290 PolarHBondContact O-N 3.39Å; W288-R291 PolarHBondContact O-N 3.42Å
289N32.4Very low43Very low106 Ų10676.9 Ų76.957%0.56741%0.408SS*.THydrogen-bonded Turntrans-68-18.9169.9-70.4-19.4000113.3S285 L287S285-N289 PolarHBondContact O-N 3.2Å; L287-N289 VanDerWaalsContact C-N 3.34Å
290L30.6Very low40Very low95 Ų9579.1 Ų79.150%0.49743%0.434SS..THydrogen-bonded Turntrans-90.3-14.7173.3-79.5155.8000113.2L287 W288 N292L287-L290 HydrophobicContact CD2-CB 4.08Å; L287-L290 HydrophobicContact CD2-CD1 3.92Å; L287-L290 HydrophobicContact CG-CD1 4.27Å; L287-L290 PolarHBondContact O-N 3.35Å; W288-L290 PolarHBondContact O-N 3.39Å; L290-N292 VanDerWaalsContact C-N 3.26Å; L290-N292 PolarHBondContact O-N 3.03Å
291R26.6Very low37Very low88 Ų8884.8 Ų84.833%0.33247%0.469SS..SBendtrans-78.386.9164.2-80.5-170.5178.4-149.5-3.7107.1L287 W288L287-R291 PolarHBondContact O-N 2.77Å; L287-R291 VanDerWaalsContact O-N 3.07Å; W288-R291 PolarHBondContact O-N 3.42Å
292N26.3Very low33.8Very low112 Ų11291.8 Ų91.860%0.59950%0.5SS*.  trans-42.4123.8171.1-114.6-10000109.4L290 E294 S295L290-N292 VanDerWaalsContact C-N 3.26Å; L290-N292 PolarHBondContact O-N 3.03Å; N292-E294 PolarHBondContact O-N 2.67Å; N292-S295 PolarHBondContact O-N 2.75Å; N292-S295 VanDerWaalsContact O-N 3.11Å; N292-S295 PolarHBondContact O-OG 3.37Å
293P26.7Very low31.1Very low122 Ų122100.2 Ų100.279%0.79254%0.539SS*.G310 helixtrans-61.8-13179.422.7-30.2000112.5
294E28Very low28.8Very low173 Ų173106.2 Ų106.281%0.80856%0.563SS**G310 helixtrans-86.1-3.2177.5-61.2-161.1161.200115.2N292 F296N292-E294 PolarHBondContact O-N 2.67Å; E294-F296 PolarHBondContact O-N 2.98Å
295S25.1Very low27.3Very low74 Ų74113.2 Ų113.252%0.51760%0.6SS.*G310 helixtrans-89.26-176.259.40000115.7N292N292-S295 PolarHBondContact O-N 2.75Å; N292-S295 VanDerWaalsContact O-N 3.11Å; N292-S295 PolarHBondContact O-OG 3.37Å
296F23Very low26.2Very low163 Ų163118.6 Ų118.672%0.71563%0.628SS**SBendtrans-137.387.8171.1-77.3-87000109.9E294E294-F296 PolarHBondContact O-N 2.98Å
297L24.1Very low25.5Very low121 Ų121122.7 Ų122.763%0.63465%0.65SS**SBendtrans167.6132144.4-87.8163.4000105.9C161 L299C161-L297 HydrophobicContact CB-CD1 3.93Å; L297-L299 VanDerWaalsContact C-N 3.34Å; L297-L299 PolarHBondContact O-N 3.35Å
298P22.3Very low25Very low132 Ų132130.3 Ų130.386%0.85769%0.685SS**  trans-66.695.7179.427.4-31.5000108.5A300P298-A300 PolarHBondContact O-N 3.44Å
299L20.6Very low24.5Very low165 Ų165134.7 Ų134.786%0.86471%0.713SS**  trans-74.4120.7175.4-146.874.6000108.1L297 T301L297-L299 VanDerWaalsContact C-N 3.34Å; L297-L299 PolarHBondContact O-N 3.35Å; L299-T301 PolarHBondContact O-N 2.89Å
300A21.8Very low24.2Very low82 Ų82138.8 Ų138.868%0.67873%0.726SS**  trans-57.1122.5172.700000110.2P298P298-A300 PolarHBondContact O-N 3.44Å
301T21.7Very low23.8Very low127 Ų127140.9 Ų140.978%0.77974%0.743SS**  trans37.6107.6144.555.30000118.4L299 Q303L299-T301 PolarHBondContact O-N 2.89Å; T301-Q303 PolarHBondContact O-N 3.26Å
302H21Very low23.7Very low161 Ų161143.8 Ų143.875%0.74576%0.763SS**  trans-11.7120.3138.3-89.1-99.9000115.2
303Q23.5Very low23.6Very low179 Ų179143.7 Ų143.784%0.83677%0.767SS**  trans-124.194.1143.2-86.8179.9-6.600107.7T301T301-Q303 PolarHBondContact O-N 3.26Å
304Q21.5Very low23.3Very low145 Ų145145.4 Ų145.468%0.67877%0.769SS**  trans-69.1114.6151.6-76.2166.9-48.100105.9
305N22.9Very low23Very low149 Ų149142 Ų14280%0.79776%0.764SS**  trans-107.8110.7154.7-86.6-10.5000106.4
306D23Very low22.8Very low131 Ų131145.5 Ų145.570%0.70178%0.777SS**  trans-64.9125.1166.7-60.2-58.2000109.1
307D25.1Very low22.9Very low173 Ų173143.4 Ų143.493%0.92578%0.779SS**  trans-97103.4153-91.1-32.5000108
308E25.2Very low22.7Very low172 Ų172143.8 Ų143.880%0.80479%0.787SS**  trans-60.9128.2168.2-60.9178.9145.100110.6
309N23.5Very low22.7Very low159 Ų159144.2 Ų144.285%0.8578%0.782SS**  trans-162.779.4150-103.8-31.2000109.3
310K26.9Very low22.7Very low192 Ų192142.7 Ų142.784%0.83577%0.774SS**  trans-164.187.7156-104.1155-168.4-176.40109.4I312K310-I312 PolarHBondContact O-N 3.24Å
311T20.4Very low22.8Very low139 Ų139146 Ų14685%0.85378%0.781SS**  trans-21.9115147.129.90000112.8
312I24.8Very low22.7Very low148 Ų148145 Ų14576%0.75978%0.78SS**  trans-161.4119152-93.4139.2000109.5K310K310-I312 PolarHBondContact O-N 3.24Å
313T24.8Very low22.8Very low111 Ų111142.2 Ų142.268%0.68178%0.778SS**  trans6295.3152.558.20000120.1C315T313-C315 PolarHBondContact O-N 3.03Å
314N21Very low22.6Very low157 Ų157143.1 Ų143.184%0.8478%0.775SS**  trans-59.7101.8155.2-160.811.6000110.6
315C21.8Very low22.6Very low102 Ų102143.6 Ų143.669%0.68978%0.781SS**  trans-121106.6172.6-64.70000108.5T313 P317T313-C315 PolarHBondContact O-N 3.03Å; C315-P317 VanDerWaalsContact O-CD 3.31Å; C315-P317 WeakPolarHBondContact O-CD 3.37Å
316N19.5Very low22.5Very low148 Ų148140.8 Ų140.879%0.79178%0.779SS**  trans-75.7129.5166.9-81.1-38.3000110
317P25.5Very low22.4Very low118 Ų118137.8 Ų137.877%0.76678%0.779SS**  trans-123.7111.6141.532.4-19.1000109.9C315C315-P317 VanDerWaalsContact O-CD 3.31Å; C315-P317 WeakPolarHBondContact O-CD 3.37Å
318T19.8Very low22.3Very low130 Ų130139.8 Ų139.880%0.79878%0.779SS**  trans-55126.6155.2480000111.3
319N22.4Very low22.1Very low140 Ų140141 Ų14175%0.74978%0.782SS**  trans-174.6117.4131.6-132.3-11.3000113.6
320N21.5Very low22.1Very low133 Ų133138.7 Ų138.771%0.71178%0.778SS**  trans19120.7134.3-61.1-36000120.5
321N23.8Very low21.8Very low151 Ų151135.7 Ų135.781%0.80778%0.775SS**  150.495125.6-77.1-20.3000108.1
322S18.9Very low21.9Very low108 Ų108135 Ų13576%0.75577%0.766SS**  41.692.281.2168.60000113.2
323S22.7Very low21.7Very low102 Ų102133.2 Ų133.271%0.71377%0.766SS**  -176.8118.712435.70000113.1
324Y19.5Very low21.5Very low198 Ų198134.9 Ų134.978%0.77677%0.766SS**  trans65.8102.1138.6-73-96.3000119
325L21.2Very low21.5Very low154 Ų154134.9 Ų134.981%0.80677%0.765SS**  69.5133.995.6-72.4-174.2000112.3
326A21.9Very low21.5Very low90 Ų90137 Ų13774%0.74477%0.77SS**  cis-165.2137.2-0.900000104.4
327G21.2Very low21.6Very low68 Ų68134.8 Ų134.870%0.70176%0.761SS**  83.480.592.800000113.9
328K22.7Very low21.5Very low216 Ų216138.5 Ų138.594%0.93977%0.766SS**  trans-127.795.8135.6-88.4-172.1179176.90108.2S330K328-S330 PolarHBondContact O-N 3.05Å
329K21.1Very low21.7Very low198 Ų198138.9 Ų138.986%0.86176%0.761SS**  trans-58.2118.3173.9-67.2173.6174.6179.10108.5V331K329-V331 PolarHBondContact O-N 2.87Å
330S21.9Very low21.8Very low109 Ų109139.1 Ų139.176%0.76276%0.763SS**  trans-62.5126.5156.759.50000107.2K328 N332K328-S330 PolarHBondContact O-N 3.05Å; S330-N332 PolarHBondContact O-N 2.73Å
331V22.6Very low22Very low129 Ų129141.5 Ų141.578%0.78277%0.769SS**  trans-60108.2178.3175.60000107.9K329 C333K329-V331 PolarHBondContact O-N 2.87Å; V331-C333 PolarHBondContact O-N 2.96Å
332N21.7Very low22.3Very low124 Ų124141.3 Ų141.366%0.66377%0.768SS**  trans-72.291.2174.9-138.7-0000106.6S330 Q334S330-N332 PolarHBondContact O-N 2.73Å; N332-Q334 PolarHBondContact O-N 2.66Å
333C19.9Very low22.7Very low111 Ų111143.7 Ų143.775%0.7577%0.773SS**  trans-76.577.7167.6-73.80000108V331 L335V331-C333 PolarHBondContact O-N 2.96Å; C333-L335 VanDerWaalsContact C-N 3.26Å; C333-L335 PolarHBondContact O-N 3.25Å
334Q22Very low22.8Very low146 Ų146146.5 Ų146.568%0.68278%0.779SS**  trans-64.687.9164.9-72.6175.7-30.500108.2N332 N336N332-Q334 PolarHBondContact O-N 2.66Å; Q334-N336 PolarHBondContact O-N 2.99Å
335L20Very low23.2Very low157 Ų157143 Ų14382%0.82278%0.778SS**  trans-72.690.5160.5-97.2153.9000107C333 V337C333-L335 VanDerWaalsContact C-N 3.26Å; C333-L335 PolarHBondContact O-N 3.25Å; L335-V337 PolarHBondContact O-N 3.11Å
336N21.4Very low23.5Very low147 Ų147145.4 Ų145.479%0.78678%0.782SS**  trans-6181.7166.3-94.8-19.6000109.1Q334Q334-N336 PolarHBondContact O-N 2.99Å
337V23.1Very low23.8Very low101 Ų101145.4 Ų145.461%0.61278%0.783SS**  trans-91.8100.5160.9-174.20000105.7L335 I339L335-V337 PolarHBondContact O-N 3.11Å; V337-I339 HydrophobicContact CB-CG1 4.45Å; V337-I339 HydrophobicContact CG1-CD1 4.39Å; V337-I339 HydrophobicContact CG1-CG1 3.8Å; V337-I339 PolarHBondContact O-N 3.34Å
338K22.5Very low24.1Very low197 Ų197148.1 Ų148.186%0.85779%0.786SS**  trans-59.7103.2165.2-75.3179173.8-178.90107
339I23.8Very low24.3Very low137 Ų137145.6 Ų145.670%0.70378%0.782SS**  trans-100110169.3-58.7176.4000105V337 E341V337-I339 HydrophobicContact CB-CG1 4.45Å; V337-I339 HydrophobicContact CG1-CD1 4.39Å; V337-I339 HydrophobicContact CG1-CG1 3.8Å; V337-I339 PolarHBondContact O-N 3.34Å; I339-E341 PolarHBondContact O-N 3.08Å
340D24.6Very low24.5Very low146 Ų146144.2 Ų144.278%0.78178%0.779SS**  trans-59.1117.6177.2-71.7-37.5000109.6N342D340-N342 PolarHBondContact O-N 2.8Å
341E26.4Very low24.7Very low182 Ų182146.2 Ų146.285%0.8578%0.78SS**G310 helixtrans-69.110.5-171.1-71.5-164.7146.800115.6I339 N343I339-E341 PolarHBondContact O-N 3.08Å; E341-N343 PolarHBondContact O-N 3.28Å
342N29.8Very low24.7Very low147 Ų147145.6 Ų145.679%0.78678%0.782SS**G310 helixtrans-93.27.6-164.4-77.9-12.5000116.9D340D340-N342 PolarHBondContact O-N 2.8Å
343N27.4Very low24.9Very low159 Ų159144.5 Ų144.585%0.8578%0.779SS**G310 helixtrans-124.97.9179.2-76.9-33.8000115.9E341 T345E341-N343 PolarHBondContact O-N 3.28Å; N343-T345 PolarHBondContact O-N 3.37Å
344L25.2Very low25.1Very low160 Ų160145.2 Ų145.284%0.83878%0.78SS**THydrogen-bonded Turntrans-95.557.1-176.1-155.276.3000113.3
345T27.8Very low25.2Very low126 Ų126145.3 Ų145.377%0.77379%0.785SS**THydrogen-bonded Turntrans-140.912.4170.351.90000115.8N343N343-T345 PolarHBondContact O-N 3.37Å
346K27.4Very low25.4Very low203 Ų203142.9 Ų142.988%0.88378%0.778SS**SBendtrans-130.811.6-178.5-80.4-171.2177.5178.90117.9
347A27Very low25.6Very low91 Ų91145.6 Ų145.675%0.75278%0.783SS**SBendtrans-124.210.2-17600000116.1
348T28.1Very low25.7Very low125 Ų125146.2 Ų146.277%0.76778%0.782SS**SBendtrans-975.2-173.345.50000116.1
349N27Very low26.2Very low163 Ų163140.8 Ų140.887%0.87277%0.767SS**SBendtrans-123.49.6-179.8-84.3-13.4000116.3
350E25.6Very low27.1Very low169 Ų169137.2 Ų137.279%0.7976%0.757SS**SBendtrans-132.8135.2174.3-66.3-175.2174.200110.2
351L26.3Very low28.1Very low151 Ų151135 Ų13579%0.79175%0.746SS**  trans88.749.6-177.9-58.7120.4000117.4V353L351-V353 HydrophobicContact CB-CG2 3.99Å; L351-V353 HydrophobicContact CD2-CG2 3.41Å; L351-V353 VanDerWaalsContact CD2-CG2 3.41Å; L351-V353 HydrophobicContact CG-CG2 4.14Å; L351-V353 PolarHBondContact O-N 2.82Å
352S22.6Very low29.3Very low116 Ų116128.6 Ų128.681%0.81172%0.724SS**  trans-70.473136.561.30000109.1T354S352-T354 PolarHBondContact O-N 3.4Å
353V26.2Very low31.1Very low100 Ų100124.2 Ų124.261%0.60670%0.7SS**  trans-71.499.6171.8178.50000107L351 L355L351-V353 HydrophobicContact CB-CG2 3.99Å; L351-V353 HydrophobicContact CD2-CG2 3.41Å; L351-V353 VanDerWaalsContact CD2-CG2 3.41Å; L351-V353 HydrophobicContact CG-CG2 4.14Å; L351-V353 PolarHBondContact O-N 2.82Å; V353-L355 PolarHBondContact O-N 3.15Å
354T24.1Very low33.3Very low126 Ų126117.7 Ų117.777%0.77367%0.665SS**  trans-63.5102.5168.1320000107.4S352S352-T354 PolarHBondContact O-N 3.4Å
355L23.2Very low35.8Very low149 Ų149118.4 Ų118.478%0.7866%0.656SS**  trans-51.9131167.3-106.6107.1000107.7V353 K357V353-L355 PolarHBondContact O-N 3.15Å; L355-K357 PolarHBondContact O-N 2.77Å
356P23.9Very low38.4Very low105 Ų105117.1 Ų117.168%0.68264%0.644SS**  trans-60.6118.1-17823.5-30.2000107.9I358P356-I358 PolarHBondContact O-N 2.71Å
357K26.6Very low41.3Very low205 Ų205108.1 Ų108.189%0.89161%0.605SS**  trans-64.285.1169.5-79.9-179.2176.6176.70108L355L355-K357 PolarHBondContact O-N 2.77Å
358I25Very low44.1Very low113 Ų113104.7 Ų104.758%0.57958%0.575SS**  trans-61.1123.5161.1-58.8169.3000104.9P356 A360P356-I358 PolarHBondContact O-N 2.71Å; I358-A360 PolarHBondContact O-N 3.24Å
359P31.8Very low46.9Very low84 Ų84102.6 Ų102.655%0.54556%0.559SS.*  trans-63.5112.2-178.723.8-30000107.8D361 A362P359-D361 PolarHBondContact O-N 3.47Å; P359-A362 PolarHBondContact O-N 3.46Å
360A43.1Very low49.9Very low61 Ų6197.2 Ų97.250%0.50453%0.53SS..Hα-helixtrans-49.3-22.3-17900000113.6I358 F364I358-A360 PolarHBondContact O-N 3.24Å; A360-F364 PolarHBondContact O-N 3.16Å
361D45.9Very low53.1Low100 Ų10089.2 Ų89.254%0.53549%0.493SS..Hα-helixtrans-65.9-33.9177.7-65.6-18.6000114.4P359 R365P359-D361 PolarHBondContact O-N 3.47Å; D361-R365 PolarHBondContact O-N 2.79Å
362A51.4Low56.3Low48 Ų4884 Ų8440%0.39747%0.466SS..Hα-helixtrans-66.4-51.6-178.900000110.6P359 F364 R365 D366P359-A362 PolarHBondContact O-N 3.46Å; A362-F364 VanDerWaalsContact C-N 3.26Å; A362-F364 PolarHBondContact O-N 3.28Å; A362-R365 WeakPolarHBondContact O-CB 3.3Å; A362-R365 PolarHBondContact O-N 3.36Å; A362-R365 VanDerWaalsContact O-N 3.15Å; A362-D366 PolarHBondContact O-N 2.79Å
363N67.3Low59.5Low54 Ų5480.6 Ų80.629%0.28945%0.445SS..Hα-helixtrans-58.5-38.1179.9-64.715.2000112.1D238 R365 D366 R367D238-N363 VanDerWaalsContact OD2-CB 3.29Å; D238-N363 WeakPolarHBondContact OD2-CB 3.33Å; D238-N363 PolarHBondContact OD2-ND2 2.67Å; N363-R365 PolarHBondContact O-N 2.73Å; N363-D366 PolarHBondContact O-N 2.89Å; N363-R367 PolarHBondContact O-N 3.38Å; N363-R367 VanDerWaalsContact O-N 3.16Å
364F73.4Confident62.7Low23 Ų2375.9 Ų75.910%0.10142%0.416CS..Hα-helixtrans-66.8-39179.6-178.6-104.3000113.2F280 Q284 S285 A360 A362 D366 R367 C368F280-F364 AromaticContact CD1-CE2 3.85Å; F280-F364 HydrophobicContact CD1-CE2 3.85Å; F280-F364 HydrophobicContact CD1-CZ 4.5Å; F280-F364 HydrophobicContact CE1-CE2 4.11Å; Q284-F364 WeakPolarHBondContact O-CE2 3.41Å; Q284-F364 WeakPolarHBondContact O-CZ 3.43Å; S285-F364 VanDerWaalsContact CB-CD1 3.45Å; S285-F364 VanDerWaalsContact CB-CG 3.45Å; S285-F364 WeakPolarHBondContact OG-CD1 3.44Å; S285-F364 WeakPolarHBondContact OG-CE1 3.36Å; S285-F364 WeakPolarHBondContact OG-CG 3.41Å; A360-F364 PolarHBondContact O-N 3.16Å; A362-F364 VanDerWaalsContact C-N 3.26Å; A362-F364 PolarHBondContact O-N 3.28Å; F364-D366 PolarHBondContact O-N 2.84Å; F364-R367 WeakPolarHBondContact O-CB 3.25Å; F364-R367 PolarHBondContact O-N 3.19Å; F364-C368 WeakPolarHBondContact CE1-SG 3.13Å; F364-C368 WeakPolarHBondContact CZ-SG 3.28Å; F364-C368 PolarHBondContact O-N 3.23Å; F364-C368 PolarHBondContact O-SG 2.7Å
365R78.4Confident66Low175 Ų17569.9 Ų69.966%0.6638%0.379SS*.Hα-helixtrans-60.9-36.3176.6-174.8175.1179.2-173.7-5111D361 A362 N363 C368 N369D361-R365 PolarHBondContact O-N 2.79Å; A362-R365 WeakPolarHBondContact O-CB 3.3Å; A362-R365 PolarHBondContact O-N 3.36Å; A362-R365 VanDerWaalsContact O-N 3.15Å; N363-R365 PolarHBondContact O-N 2.73Å; R365-C368 WeakPolarHBondContact O-CB 3.11Å; R365-C368 PolarHBondContact O-N 3.41Å; R365-N369 VanDerWaalsContact O-CG 3.23Å; R365-N369 PolarHBondContact O-N 3.36Å; R365-N369 PolarHBondContact O-ND2 3.06Å
366D83.1Confident69.3Low98 Ų9863.5 Ų63.552%0.52435%0.346SS..Hα-helixtrans-69-39.5177.9-63.5-30.5000111.8A362 N363 F364 C368 N369 L370A362-D366 PolarHBondContact O-N 2.79Å; N363-D366 PolarHBondContact O-N 2.89Å; F364-D366 PolarHBondContact O-N 2.84Å; D366-C368 VanDerWaalsContact C-N 3.32Å; D366-C368 PolarHBondContact O-N 3.27Å; D366-N369 PolarHBondContact O-N 3.35Å; D366-L370 VanDerWaalsContact O-CB 3.29Å; D366-L370 WeakPolarHBondContact O-CB 3.26Å; D366-L370 PolarHBondContact O-N 2.96Å
367R86.7Confident72.5Confident15 Ų1560.5 Ų60.56%0.05732%0.322CS..Hα-helixtrans-57.3-44.5169.3-62.8-169.4-169.9-167.73.9112.5D235 P236 D238 F241 F280 N363 F364 N369 L370 A371D235-R367 PolarHBondContact O-NH1 2.83Å; P236-R367 VanDerWaalsContact C-NH2 3.3Å; P236-R367 PolarHBondContact O-NH2 3.19Å; D238-R367 IonicContact OD1-CZ 2.75Å; D238-R367 IonicContact OD1-NE 3.73Å; D238-R367 PolarHBondContact OD1-NE 3.37Å; D238-R367 IonicContact OD1-NH2 2.79Å; D238-R367 PolarHBondContact OD1-NH2 3.49Å; D238-R367 IonicContact OD2-NH2 3.35Å; F241-R367 HydrophobicContact CD1-CB 4.23Å; F241-R367 HydrophobicContact CD1-CG 3.79Å; F241-R367 HydrophobicContact CD2-CG 4.42Å; F241-R367 HydrophobicContact CE1-CB 3.77Å; F241-R367 HydrophobicContact CE1-CG 3.86Å; F241-R367 HydrophobicContact CE2-CB 4.33Å; F241-R367 HydrophobicContact CE2-CG 4.49Å; F241-R367 HydrophobicContact CG-CG 4.08Å; F241-R367 HydrophobicContact CZ-CB 3.83Å; F241-R367 HydrophobicContact CZ-CG 4.23Å; F280-R367 HydrophobicContact CD1-CB 4.17Å; N363-R367 PolarHBondContact O-N 3.38Å; N363-R367 VanDerWaalsContact O-N 3.16Å; F364-R367 WeakPolarHBondContact O-CB 3.25Å; F364-R367 PolarHBondContact O-N 3.19Å; R367-N369 PolarHBondContact O-N 3.43Å; R367-L370 PolarHBondContact O-N 3.32Å; R367-A371 VanDerWaalsContact O-CB 3.26Å; R367-A371 WeakPolarHBondContact O-CB 3.11Å; R367-A371 PolarHBondContact O-N 3.34Å
368C86.3Confident75.5Confident18 Ų1851 Ų5112%0.12228%0.281CS..Hα-helixtrans-61-45.5178-620000111.6F280 F364 R365 D366 L372F280-C368 PolarHBondContact O-SG 2.82Å; F364-C368 WeakPolarHBondContact CE1-SG 3.13Å; F364-C368 WeakPolarHBondContact CZ-SG 3.28Å; F364-C368 PolarHBondContact O-N 3.23Å; F364-C368 PolarHBondContact O-SG 2.7Å; R365-C368 WeakPolarHBondContact O-CB 3.11Å; R365-C368 PolarHBondContact O-N 3.41Å; D366-C368 VanDerWaalsContact C-N 3.32Å; D366-C368 PolarHBondContact O-N 3.27Å; C368-L372 WeakPolarHBondContact O-CB 3.47Å; C368-L372 PolarHBondContact O-N 2.97Å
369N87.7Confident78.7Confident81 Ų8145.7 Ų45.743%0.43325%0.254SS..Hα-helixtrans-66.1-41.6179.7-70.2-29.3000111.4R365 D366 R367 L372 A373R365-N369 VanDerWaalsContact O-CG 3.23Å; R365-N369 PolarHBondContact O-N 3.36Å; R365-N369 PolarHBondContact O-ND2 3.06Å; D366-N369 PolarHBondContact O-N 3.35Å; R367-N369 PolarHBondContact O-N 3.43Å; N369-L372 PolarHBondContact O-N 3.45Å; N369-A373 VanDerWaalsContact O-CB 3.32Å; N369-A373 WeakPolarHBondContact O-CB 3.3Å; N369-A373 PolarHBondContact O-N 3.31Å
370L90.3Very high81.3Confident51 Ų5145.3 Ų45.327%0.26724%0.244SC..Hα-helixtrans-69.8-39.2179.7-171.660.8000111.8F241 T242 L245 D366 R367 A373 T374F241-L370 HydrophobicContact CD1-CD2 4.4Å; F241-L370 HydrophobicContact CE1-CB 4.41Å; F241-L370 HydrophobicContact CE1-CD2 4.09Å; T242-L370 HydrophobicContact CG2-CD2 4.25Å; L245-L370 HydrophobicContact CD1-CB 4.36Å; L245-L370 HydrophobicContact CD1-CD2 3.61Å; L245-L370 HydrophobicContact CD1-CG 3.56Å; D366-L370 VanDerWaalsContact O-CB 3.29Å; D366-L370 WeakPolarHBondContact O-CB 3.26Å; D366-L370 PolarHBondContact O-N 2.96Å; R367-L370 PolarHBondContact O-N 3.32Å; L370-A373 PolarHBondContact O-N 3.16Å; L370-T374 WeakPolarHBondContact O-CB 3.38Å; L370-T374 PolarHBondContact O-N 3.47Å; L370-T374 PolarHBondContact O-OG1 3.43Å
371A92Very high83.4Confident0 Ų042.7 Ų42.70%022%0.223CC..Hα-helixtrans-61.5-46.617100000111.3L277 F280 V281 R367 T374 L375L277-A371 HydrophobicContact CB-CB 4.23Å; L277-A371 HydrophobicContact CD2-CB 3.87Å; F280-A371 HydrophobicContact CB-CB 3.87Å; V281-A371 HydrophobicContact CG2-CB 3.96Å; R367-A371 VanDerWaalsContact O-CB 3.26Å; R367-A371 WeakPolarHBondContact O-CB 3.11Å; R367-A371 PolarHBondContact O-N 3.34Å; A371-T374 PolarHBondContact O-N 3.46Å; A371-L375 WeakPolarHBondContact O-CG 3.49Å; A371-L375 PolarHBondContact O-N 2.76Å
372L92.5Very high85.3Confident42 Ų4241 Ų4122%0.2221%0.212CC..Hα-helixtrans-61-47.4176.9178.259.2000111.3V281 C368 N369 T374 L375 I376 V428V281-L372 HydrophobicContact CG1-CB 4.21Å; V281-L372 HydrophobicContact CG1-CD1 3.96Å; V281-L372 HydrophobicContact CG1-CG 4.49Å; V281-L372 HydrophobicContact CG2-CB 3.76Å; V281-L372 HydrophobicContact CG2-CD1 4.42Å; C368-L372 WeakPolarHBondContact O-CB 3.47Å; C368-L372 PolarHBondContact O-N 2.97Å; N369-L372 PolarHBondContact O-N 3.45Å; L372-T374 VanDerWaalsContact C-N 3.3Å; L372-T374 PolarHBondContact O-N 3.37Å; L372-L375 PolarHBondContact O-N 3.23Å; L372-I376 HydrophobicContact CD1-CD1 4.43Å; L372-I376 HydrophobicContact CD1-CG1 4.07Å; L372-I376 HydrophobicContact CG-CG1 4.43Å; L372-I376 VanDerWaalsContact O-CG1 3.3Å; L372-I376 WeakPolarHBondContact O-CG1 3.3Å; L372-I376 PolarHBondContact O-N 3.11Å; L372-V428 HydrophobicContact CD1-CG2 3.88Å
373A91.6Very high86.7Confident45 Ų4542.9 Ų42.937%0.37222%0.222SC..Hα-helixtrans-58.2-43.8177.800000111.3N369 L370 L375 I376 E377N369-A373 VanDerWaalsContact O-CB 3.32Å; N369-A373 WeakPolarHBondContact O-CB 3.3Å; N369-A373 PolarHBondContact O-N 3.31Å; L370-A373 PolarHBondContact O-N 3.16Å; A373-L375 PolarHBondContact O-N 2.92Å; A373-I376 PolarHBondContact O-N 3.5Å; A373-E377 WeakPolarHBondContact O-CG 3.32Å; A373-E377 PolarHBondContact O-N 3.06Å
374T93Very high87.1Confident0 Ų040.8 Ų40.80%021%0.214CC..Hα-helixtrans-61.5-42.6177.5-570000112L245 F248 R249 L277 L370 A371 L372 E377 L378 L386L245-T374 HydrophobicContact CD2-CG2 4.23Å; F248-T374 HydrophobicContact CD1-CG2 4.49Å; F248-T374 HydrophobicContact CE1-CG2 4.47Å; R249-T374 PolarHBondContact NH2-OG1 2.96Å; L277-T374 HydrophobicContact CD1-CG2 4.04Å; L370-T374 WeakPolarHBondContact O-CB 3.38Å; L370-T374 PolarHBondContact O-N 3.47Å; L370-T374 PolarHBondContact O-OG1 3.43Å; A371-T374 PolarHBondContact O-N 3.46Å; L372-T374 VanDerWaalsContact C-N 3.3Å; L372-T374 PolarHBondContact O-N 3.37Å; T374-E377 PolarHBondContact O-N 3.3Å; T374-L378 WeakPolarHBondContact O-CG 3.3Å; T374-L378 PolarHBondContact O-N 3.22Å; T374-L386 HydrophobicContact CG2-CD1 4.02Å
375L93.2Very high87.4Confident0 Ų042.8 Ų42.80%023%0.234CC..Hα-helixtrans-65.5-39.1175.5-69.5175.1000112.6L274 L277 L278 V281 A371 L372 A373 A379 M407 V428L274-L375 HydrophobicContact CB-CD2 4.34Å; L274-L375 HydrophobicContact CD2-CD2 3.73Å; L277-L375 HydrophobicContact CB-CD1 4.07Å; L277-L375 HydrophobicContact CB-CD2 4.15Å; L277-L375 HydrophobicContact CB-CG 4.09Å; L277-L375 HydrophobicContact CD1-CD2 4.16Å; L277-L375 HydrophobicContact CD1-CG 4.35Å; L278-L375 HydrophobicContact CD2-CD1 3.85Å; L278-L375 HydrophobicContact CG-CD1 4.13Å; V281-L375 HydrophobicContact CG2-CD1 4.02Å; A371-L375 WeakPolarHBondContact O-CG 3.49Å; A371-L375 PolarHBondContact O-N 2.76Å; L372-L375 PolarHBondContact O-N 3.23Å; A373-L375 PolarHBondContact O-N 2.92Å; L375-A379 WeakPolarHBondContact O-CB 3.32Å; L375-A379 PolarHBondContact O-N 3.04Å; L375-M407 HydrophobicContact CD2-CE 4.26Å; L375-M407 HydrophobicContact CD2-SD 4.38Å; L375-V428 HydrophobicContact CB-CG2 4.44Å; L375-V428 HydrophobicContact CD1-CG2 3.8Å
376I91.8Very high87.7Confident16 Ų1634.7 Ų34.78%0.08220%0.204CC..Hα-helixtrans-69.7-39.6178.3-64-61.3000111.6L372 A373 A379 K380 K431 L432 M435L372-I376 HydrophobicContact CD1-CD1 4.43Å; L372-I376 HydrophobicContact CD1-CG1 4.07Å; L372-I376 HydrophobicContact CG-CG1 4.43Å; L372-I376 VanDerWaalsContact O-CG1 3.3Å; L372-I376 WeakPolarHBondContact O-CG1 3.3Å; L372-I376 PolarHBondContact O-N 3.11Å; A373-I376 PolarHBondContact O-N 3.5Å; I376-A379 WeakPolarHBondContact O-CB 3.31Å; I376-A379 PolarHBondContact O-N 3.4Å; I376-K380 PolarHBondContact O-N 3.43Å; I376-K431 HydrophobicContact CD1-CB 3.79Å; I376-K431 HydrophobicContact CD1-CG 3.61Å; I376-K431 HydrophobicContact CG1-CG 3.98Å; I376-L432 HydrophobicContact CD1-CD2 3.84Å; I376-L432 HydrophobicContact CD1-CG 4.22Å; I376-M435 HydrophobicContact CG2-SD 4Å
377E90.5Very high87.7Confident41 Ų4130.6 Ų30.619%0.19218%0.184CC..Hα-helixtrans-64.4-42.4174.2-74.9-54.1126.300112A373 T374 A379 K380 A385 L386A373-E377 WeakPolarHBondContact O-CG 3.32Å; A373-E377 PolarHBondContact O-N 3.06Å; T374-E377 PolarHBondContact O-N 3.3Å; E377-A379 PolarHBondContact O-N 2.75Å; E377-K380 WeakPolarHBondContact O-CB 3.48Å; E377-K380 PolarHBondContact O-N 2.89Å; E377-K380 WeakPolarHBondContact OE1-CE 3.31Å; E377-K380 IonicContact OE1-NZ 2.78Å; E377-K380 PolarHBondContact OE1-NZ 3.45Å; E377-K380 IonicContact OE2-NZ 2.96Å; E377-A385 PolarHBondContact OE2-N 3.36Å; E377-L386 HydrophobicContact CB-CB 4.25Å; E377-L386 HydrophobicContact CB-CD1 3.57Å; E377-L386 HydrophobicContact CB-CG 4.4Å; E377-L386 HydrophobicContact CG-CD1 4.46Å
378L91.2Very high87.6Confident6 Ų630 Ų303%0.03118%0.182CC..Hα-helixtrans-59.6-36.6171.8-79.7173.2000112.2F248 L252 L274 T374 K380 G381 L386 S402 G403 M407F248-L378 HydrophobicContact CE1-CD1 4.09Å; F248-L378 HydrophobicContact CZ-CD1 4.41Å; L252-L378 HydrophobicContact CD1-CD2 3.88Å; L274-L378 HydrophobicContact CD2-CD1 3.46Å; L274-L378 VanDerWaalsContact CD2-CD1 3.46Å; T374-L378 WeakPolarHBondContact O-CG 3.3Å; T374-L378 PolarHBondContact O-N 3.22Å; L378-K380 PolarHBondContact O-N 2.95Å; L378-G381 PolarHBondContact O-N 2.95Å; L378-G381 VanDerWaalsContact O-N 3.11Å; L378-L386 HydrophobicContact CD2-CB 4.3Å; L378-L386 HydrophobicContact CG-CD1 4.44Å; L378-S402 CarbonylContact O-C 3.46Å; L378-S402 VanDerWaalsContact O-CB 3.3Å; L378-S402 WeakPolarHBondContact O-CB 2.99Å; L378-S402 PolarHBondContact O-OG 2.73Å; L378-G403 PolarHBondContact O-N 3.05Å; L378-M407 HydrophobicContact CB-CE 3.81Å
379A90.5Very high87.4Confident1 Ų129.2 Ų29.21%0.00818%0.176CC..Hα-helixtrans-67.8-21.3176.800000113.1L375 I376 E377 G381 G403 I404 M407 L432L375-A379 WeakPolarHBondContact O-CB 3.32Å; L375-A379 PolarHBondContact O-N 3.04Å; I376-A379 WeakPolarHBondContact O-CB 3.31Å; I376-A379 PolarHBondContact O-N 3.4Å; E377-A379 PolarHBondContact O-N 2.75Å; A379-G381 PolarHBondContact O-N 3.12Å; A379-G403 CarbonylContact O-C 3.31Å; A379-G403 VanDerWaalsContact O-CA 3.26Å; A379-G403 WeakPolarHBondContact O-CA 3.42Å; A379-I404 WeakPolarHBondContact O-CA 3.46Å; A379-I404 WeakPolarHBondContact O-CG1 3.32Å; A379-I404 PolarHBondContact O-N 2.92Å; A379-M407 HydrophobicContact CB-CB 3.88Å; A379-M407 HydrophobicContact CB-CG 3.93Å; A379-L432 HydrophobicContact CB-CD2 3.39Å
380K88.1Confident87.2Confident76 Ų7630.5 Ų30.533%0.3318%0.175SC..THydrogen-bonded Turntrans-74.4-12.3172.9-66.1173.9-179.8175.60112.9I376 E377 L378 S383 M435I376-K380 PolarHBondContact O-N 3.43Å; E377-K380 WeakPolarHBondContact O-CB 3.48Å; E377-K380 PolarHBondContact O-N 2.89Å; E377-K380 WeakPolarHBondContact OE1-CE 3.31Å; E377-K380 IonicContact OE1-NZ 2.78Å; E377-K380 PolarHBondContact OE1-NZ 3.45Å; E377-K380 IonicContact OE2-NZ 2.96Å; L378-K380 PolarHBondContact O-N 2.95Å; K380-S383 PolarHBondContact O-N 2.86Å; K380-S383 PolarHBondContact O-OG 3.23Å; K380-M435 HydrophobicContact CG-CE 4.48Å; K380-M435 HydrophobicContact CG-SD 4.12Å
381G86.4Confident86.8Confident6 Ų632.1 Ų32.16%0.06218%0.181CC..G310 helixtrans60.3-136.5-179.900000111.8L378 A379 S383 G384 S402L378-G381 PolarHBondContact O-N 2.95Å; L378-G381 VanDerWaalsContact O-N 3.11Å; A379-G381 PolarHBondContact O-N 3.12Å; G381-S383 PolarHBondContact O-N 3.25Å; G381-S383 VanDerWaalsContact O-N 3.13Å; G381-G384 PolarHBondContact O-N 3.15Å; G381-S402 WeakPolarHBondContact CA-O 3.19Å
382Q86.4Confident86.4Confident66 Ų6633.1 Ų33.131%0.30819%0.187SC..G310 helixtrans-67.6-10.4179.9-59.8-56.812.100114.6A387 I388 C398 L399 P400Q382-A387 VanDerWaalsContact OE1-CA 3.28Å; Q382-A387 VanDerWaalsContact OE1-CB 3.22Å; Q382-I388 PolarHBondContact NE2-O 3.31Å; Q382-I388 PolarHBondContact OE1-O 3.07Å; Q382-C398 PolarHBondContact NE2-O 3.33Å; Q382-L399 PolarHBondContact NE2-O 2.72Å; Q382-P400 HydrophobicContact CG-CB 3.95Å; Q382-P400 HydrophobicContact CG-CG 4.4Å
383S79.4Confident85.6Confident86 Ų8639 Ų3960%0.60121%0.214SC*.G310 helixtrans-88.7-5.1172.767.20000113.6K380 G381K380-S383 PolarHBondContact O-N 2.86Å; K380-S383 PolarHBondContact O-OG 3.23Å; G381-S383 PolarHBondContact O-N 3.25Å; G381-S383 VanDerWaalsContact O-N 3.13Å
384G77.6Confident84.6Confident11 Ų1138 Ų3811%0.11320%0.204CC..SBendtrans-92167.817700000112.9G381 L386 A387G381-G384 PolarHBondContact O-N 3.15Å; G384-L386 PolarHBondContact O-N 2.7Å; G384-A387 PolarHBondContact O-N 3.32Å
385A79.3Confident83.8Confident65 Ų6539.6 Ų39.654%0.53722%0.217SC..THydrogen-bonded Turntrans-67.4-16.6175.800000113.3E377 A387 R390E377-A385 PolarHBondContact OE2-N 3.36Å; A385-A387 VanDerWaalsContact C-N 3.34Å; A385-R390 PolarHBondContact O-NH1 3.25Å
386L84Confident83.1Confident4 Ų445.1 Ų45.12%0.02126%0.256CS..THydrogen-bonded Turntrans-97.129.1178.2-91.9152.5000112.7R249 L252 T374 E377 L378 G384R249-L386 HydrophobicContact CB-CD2 3.74Å; R249-L386 HydrophobicContact CG-CD1 4.48Å; R249-L386 HydrophobicContact CG-CD2 3.74Å; R249-L386 HydrophobicContact CG-CG 4.36Å; L252-L386 HydrophobicContact CD1-CD2 3.81Å; T374-L386 HydrophobicContact CG2-CD1 4.02Å; E377-L386 HydrophobicContact CB-CB 4.25Å; E377-L386 HydrophobicContact CB-CD1 3.57Å; E377-L386 HydrophobicContact CB-CG 4.4Å; E377-L386 HydrophobicContact CG-CD1 4.46Å; L378-L386 HydrophobicContact CD2-CB 4.3Å; L378-L386 HydrophobicContact CG-CD1 4.44Å; G384-L386 PolarHBondContact O-N 2.7Å
387A83.4Confident82.6Confident13 Ų1353.7 Ų53.711%0.10729%0.287CS..  trans-57.1136.3174.500000111.7Q382 G384 A385 R390Q382-A387 VanDerWaalsContact OE1-CA 3.28Å; Q382-A387 VanDerWaalsContact OE1-CB 3.22Å; G384-A387 PolarHBondContact O-N 3.32Å; A385-A387 VanDerWaalsContact C-N 3.34Å; A387-R390 HydrophobicContact CB-CB 4.13Å
388I83.9Confident82.3Confident3 Ų352.1 Ų52.12%0.01528%0.28CS..THydrogen-bonded Turntrans-80.9131.6-179.2-72.195000109.7L252 L255 Q382 V401L252-I388 WeakPolarHBondContact O-CA 3.36Å; L255-I388 WeakPolarHBondContact O-CG2 3.41Å; Q382-I388 PolarHBondContact NE2-O 3.31Å; Q382-I388 PolarHBondContact OE1-O 3.07Å; I388-V401 HydrophobicContact CB-CG2 4.07Å; I388-V401 HydrophobicContact CD1-CB 3.45Å; I388-V401 VanDerWaalsContact CD1-CB 3.45Å; I388-V401 HydrophobicContact CD1-CG2 3.63Å; I388-V401 HydrophobicContact CG1-CB 3.88Å; I388-V401 HydrophobicContact CG1-CG2 3.49Å; I388-V401 VanDerWaalsContact CG1-CG2 3.49Å; I388-V401 HydrophobicContact CG2-CG2 3.92Å
389G82.4Confident82Confident0 Ų054.8 Ų54.80%029%0.294CS..THydrogen-bonded Turntrans73.418.3-178.900000112.7L252 G253 L255 E391 V392 A395L252-G389 PolarHBondContact O-N 3.49Å; G253-G389 CarbonylContact O-C 3.45Å; G253-G389 WeakPolarHBondContact O-CA 3.24Å; G253-G389 PolarHBondContact O-N 3.25Å; L255-G389 WeakPolarHBondContact O-CA 3.25Å; L255-G389 PolarHBondContact O-N 2.82Å; G389-E391 PolarHBondContact O-N 2.82Å; G389-E391 VanDerWaalsContact O-N 3.13Å; G389-V392 WeakPolarHBondContact O-CB 3.31Å; G389-V392 PolarHBondContact O-N 3.03Å; G389-A395 WeakPolarHBondContact O-CB 3.43Å
390R83.9Confident81.7Confident109 Ų10957.3 Ų57.341%0.41131%0.31SS..THydrogen-bonded Turntrans-56.5-27.8-178.378.5-170.8-175.6171.93.2113G253 A385 A387 V392G253-R390 PolarHBondContact O-N 2.94Å; G253-R390 VanDerWaalsContact O-N 3.13Å; A385-R390 PolarHBondContact O-NH1 3.25Å; A387-R390 HydrophobicContact CB-CB 4.13Å; R390-V392 VanDerWaalsContact C-N 3.34Å
391E82.2Confident81.6Confident84 Ų8453.9 Ų53.939%0.39330%0.296SS..THydrogen-bonded Turntrans-96.612.5-178.4-54.5-173.5-161.200111.8G253 Y254 G389G253-E391 PolarHBondContact O-N 3.31Å; G253-E391 VanDerWaalsContact O-N 3.14Å; Y254-E391 HydrophobicContact CD1-CB 4.47Å; Y254-E391 HydrophobicContact CE1-CB 4.12Å; Y254-E391 HydrophobicContact CE2-CB 4.46Å; Y254-E391 WeakPolarHBondContact CE2-OE2 3.37Å; Y254-E391 PolarHBondContact OH-OE2 2.98Å; G389-E391 PolarHBondContact O-N 2.82Å; G389-E391 VanDerWaalsContact O-N 3.13Å
392V82.6Confident81.5Confident21 Ų2154 Ų5413%0.12730%0.296CS..SBendtrans-113.1139.2-176-171.60000110.5V256 G389 R390 S394 A395V256-V392 HydrophobicContact CG2-CB 4.36Å; V256-V392 HydrophobicContact CG2-CG1 4.23Å; V256-V392 HydrophobicContact CG2-CG2 3.96Å; G389-V392 WeakPolarHBondContact O-CB 3.31Å; G389-V392 PolarHBondContact O-N 3.03Å; R390-V392 VanDerWaalsContact C-N 3.34Å; V392-S394 PolarHBondContact O-N 3.43Å; V392-A395 WeakPolarHBondContact O-CB 3.47Å; V392-A395 PolarHBondContact O-N 3.2Å
393H76.8Confident81.5Confident167 Ų16751.6 Ų51.677%0.77329%0.288SS*.THydrogen-bonded Turntrans-58-22.7-178.865.979.8000114.5
394S70.6Confident81.8Confident23 Ų2350.3 Ų50.316%0.16127%0.274CS..THydrogen-bonded Turntrans-104.326.3176.8-66.90000113.4Y258 V392 S396 R397 C398Y258-S394 WeakPolarHBondContact OH-CB 3.27Å; V392-S394 PolarHBondContact O-N 3.43Å; S394-S396 PolarHBondContact O-N 3.11Å; S394-S396 VanDerWaalsContact O-N 3.13Å; S394-R397 PolarHBondContact O-N 3.04Å; S394-C398 PolarHBondContact O-SG 3.34Å
395A75.4Confident82.2Confident33 Ų3353.6 Ų53.627%0.27329%0.287SS..G310 helixtrans-49.8-37.517800000113.2G389 V392 R397 C398G389-A395 WeakPolarHBondContact O-CB 3.43Å; V392-A395 WeakPolarHBondContact O-CB 3.47Å; V392-A395 PolarHBondContact O-N 3.2Å; A395-R397 PolarHBondContact O-N 3.18Å; A395-C398 WeakPolarHBondContact O-CB 3.38Å; A395-C398 PolarHBondContact O-N 3.01Å; A395-C398 VanDerWaalsContact O-N 3.09Å
396S78.5Confident82.6Confident117 Ų11752.5 Ų52.582%0.81827%0.27SS*.G310 helixtrans-63.9-23.7-179.757.60000114.1S394S394-S396 PolarHBondContact O-N 3.11Å; S394-S396 VanDerWaalsContact O-N 3.13Å
397R81.8Confident83Confident196 Ų19652.3 Ų52.374%0.7427%0.269SS*.G310 helixtrans-92.8-5.9177.5-61.7-175.5-178.6-178.40.1112.8Y258 S394 A395Y258-R397 HydrophobicContact CD1-CB 4.27Å; Y258-R397 HydrophobicContact CE1-CB 4.02Å; S394-R397 PolarHBondContact O-N 3.04Å; A395-R397 PolarHBondContact O-N 3.18Å
398C83Confident83.2Confident8 Ų852.2 Ų52.25%0.05427%0.268CS..PPolyproline II helixtrans-77.2125.7-176.5-660000111.8Q382 S394 A395Q382-C398 PolarHBondContact NE2-O 3.33Å; S394-C398 PolarHBondContact O-SG 3.34Å; A395-C398 WeakPolarHBondContact O-CB 3.38Å; A395-C398 PolarHBondContact O-N 3.01Å; A395-C398 VanDerWaalsContact O-N 3.09Å
399L84.9Confident83.4Confident62 Ų6258.5 Ų58.533%0.32529%0.291SS..PPolyproline II helixtrans-67.8138.5170.9-60.7176.3000110.5A257 Q382 V401A257-L399 VanDerWaalsContact O-CB 3.28Å; A257-L399 WeakPolarHBondContact O-CB 3.44Å; A257-L399 PolarHBondContact O-N 3.06Å; Q382-L399 PolarHBondContact NE2-O 2.72Å; L399-V401 PolarHBondContact O-N 3.27Å
400P86.1Confident83.7Confident53 Ų5359.6 Ų59.634%0.34430%0.296SS..PPolyproline II helixtrans-63.6119173.319.2-26.6000110.9Q263 Q382 S402Q263-P400 PolarHBondContact NE2-O 2.87Å; Q382-P400 HydrophobicContact CG-CB 3.95Å; Q382-P400 HydrophobicContact CG-CG 4.4Å; P400-S402 VanDerWaalsContact C-N 3.32Å; P400-S402 VanDerWaalsContact CB-O 3.3Å; P400-S402 WeakPolarHBondContact CB-O 3.35Å
401V84.2Confident84Confident4 Ų454.4 Ų54.42%0.02428%0.276CS..SBendtrans-65.3-38.8170.4-1790000111.1A257 L266 Q267 I270 I388 L399A257-V401 HydrophobicContact CB-CG2 4.3Å; L266-V401 HydrophobicContact CB-CG1 4.19Å; L266-V401 HydrophobicContact CB-CG2 4.44Å; L266-V401 HydrophobicContact CD2-CB 4.47Å; L266-V401 HydrophobicContact CD2-CG1 4.25Å; L266-V401 HydrophobicContact CD2-CG2 3.42Å; L266-V401 VanDerWaalsContact CD2-CG2 3.42Å; L266-V401 HydrophobicContact CG-CG1 3.83Å; L266-V401 HydrophobicContact CG-CG2 3.95Å; Q267-V401 HydrophobicContact CG-CG1 3.8Å; Q267-V401 WeakPolarHBondContact CG-O 3.06Å; Q267-V401 PolarHBondContact NE2-O 3.46Å; I270-V401 HydrophobicContact CD1-CG1 3.81Å; I388-V401 HydrophobicContact CB-CG2 4.07Å; I388-V401 HydrophobicContact CD1-CB 3.45Å; I388-V401 VanDerWaalsContact CD1-CB 3.45Å; I388-V401 HydrophobicContact CD1-CG2 3.63Å; I388-V401 HydrophobicContact CG1-CB 3.88Å; I388-V401 HydrophobicContact CG1-CG2 3.49Å; I388-V401 VanDerWaalsContact CG1-CG2 3.49Å; I388-V401 HydrophobicContact CG2-CG2 3.92Å; L399-V401 PolarHBondContact O-N 3.27Å
402S85.5Confident84.1Confident9 Ų951.4 Ų51.46%0.06326%0.263CS..SBendtrans-125167.7175.6-164.10000111.2L378 G381 P400L378-S402 CarbonylContact O-C 3.46Å; L378-S402 VanDerWaalsContact O-CB 3.3Å; L378-S402 WeakPolarHBondContact O-CB 2.99Å; L378-S402 PolarHBondContact O-OG 2.73Å; G381-S402 WeakPolarHBondContact CA-O 3.19Å; P400-S402 VanDerWaalsContact C-N 3.32Å; P400-S402 VanDerWaalsContact CB-O 3.3Å; P400-S402 WeakPolarHBondContact CB-O 3.35Å
403G86.7Confident84Confident15 Ų1553.4 Ų53.416%0.15528%0.278CS..  trans171.6173.8-176.700000109.9L378 A379 Q405 H406 M407L378-G403 PolarHBondContact O-N 3.05Å; A379-G403 CarbonylContact O-C 3.31Å; A379-G403 VanDerWaalsContact O-CA 3.26Å; A379-G403 WeakPolarHBondContact O-CA 3.42Å; G403-Q405 VanDerWaalsContact C-N 3.25Å; G403-Q405 PolarHBondContact O-N 2.96Å; G403-H406 PolarHBondContact O-N 3.14Å; G403-M407 WeakPolarHBondContact O-CB 3.29Å; G403-M407 PolarHBondContact O-N 2.97Å
404I85.9Confident83.1Confident60 Ų6050.1 Ų50.131%0.30827%0.273SS..Hα-helixtrans-55.6-44.9-172.8-58.7179.4000110.4A379 V408 M435A379-I404 WeakPolarHBondContact O-CA 3.46Å; A379-I404 WeakPolarHBondContact O-CG1 3.32Å; A379-I404 PolarHBondContact O-N 2.92Å; I404-V408 HydrophobicContact CG2-CG2 4.18Å; I404-V408 VanDerWaalsContact O-CB 3.32Å; I404-V408 WeakPolarHBondContact O-CB 3.38Å; I404-V408 WeakPolarHBondContact O-CG2 3.47Å; I404-V408 PolarHBondContact O-N 2.87Å; I404-M435 HydrophobicContact CD1-CE 3.97Å; I404-M435 HydrophobicContact CG1-CE 4.12Å
405Q85.2Confident82.2Confident79 Ų7950.9 Ų50.937%0.36928%0.281SS..Hα-helixtrans-60.9-48.1178.3179.3-179.120.200112.6G403 R409 L513G403-Q405 VanDerWaalsContact C-N 3.25Å; G403-Q405 PolarHBondContact O-N 2.96Å; Q405-R409 VanDerWaalsContact NE2-CZ 3.29Å; Q405-R409 WeakPolarHBondContact O-CB 3.45Å; Q405-R409 WeakPolarHBondContact O-CG 3.26Å; Q405-R409 PolarHBondContact O-N 3.39Å; Q405-L513 HydrophobicContact CB-CD2 4.22Å; Q405-L513 HydrophobicContact CG-CD1 4.45Å; Q405-L513 HydrophobicContact CG-CD2 3.75Å
406H88.4Confident81.2Confident42 Ų4254.5 Ų54.519%0.19429%0.291CS..Hα-helixtrans-67.6-45.9-179.2-179.277.2000110.8Q267 G403 V408 R409 F410Q267-H406 VanDerWaalsContact CD-ND1 3.29Å; Q267-H406 VanDerWaalsContact CG-CE1 3.44Å; Q267-H406 WeakPolarHBondContact CG-CE1 3.45Å; Q267-H406 PolarHBondContact NE2-ND1 3.36Å; Q267-H406 PolarHBondContact OE1-CE1 2.81Å; Q267-H406 PolarHBondContact OE1-ND1 3.46Å; G403-H406 PolarHBondContact O-N 3.14Å; H406-V408 PolarHBondContact O-N 3.34Å; H406-R409 PolarHBondContact O-N 2.89Å; H406-F410 VanDerWaalsContact O-CB 3.31Å; H406-F410 WeakPolarHBondContact O-CB 3.32Å; H406-F410 PolarHBondContact O-N 2.84Å
407M91Very high80.5Confident0 Ų050.2 Ų50.20%026%0.258CS..Hα-helixtrans-63-43.2179.5-169.861.26500111.7L274 L375 L378 A379 G403 F410 V411 V428 L432L274-M407 HydrophobicContact CD1-CE 4.48Å; L375-M407 HydrophobicContact CD2-CE 4.26Å; L375-M407 HydrophobicContact CD2-SD 4.38Å; L378-M407 HydrophobicContact CB-CE 3.81Å; A379-M407 HydrophobicContact CB-CB 3.88Å; A379-M407 HydrophobicContact CB-CG 3.93Å; G403-M407 WeakPolarHBondContact O-CB 3.29Å; G403-M407 PolarHBondContact O-N 2.97Å; M407-F410 PolarHBondContact O-N 3.4Å; M407-F410 HydrophobicContact SD-CD1 4.43Å; M407-V411 HydrophobicContact CG-CG2 4.25Å; M407-V411 WeakPolarHBondContact O-CB 3.42Å; M407-V411 WeakPolarHBondContact O-CG2 3.37Å; M407-V411 PolarHBondContact O-N 2.87Å; M407-V411 HydrophobicContact SD-CG2 4.12Å; M407-V428 HydrophobicContact CG-CG1 4.31Å; M407-L432 HydrophobicContact CB-CD1 4.32Å; M407-L432 HydrophobicContact CG-CD1 3.91Å
408V89.1Confident79.7Confident12 Ų1245 Ų457%0.07324%0.241CC..Hα-helixtrans-63.5-43.9175.2172.70000110.7I404 H406 F410 V411 L412 L432 H517I404-V408 HydrophobicContact CG2-CG2 4.18Å; I404-V408 VanDerWaalsContact O-CB 3.32Å; I404-V408 WeakPolarHBondContact O-CB 3.38Å; I404-V408 WeakPolarHBondContact O-CG2 3.47Å; I404-V408 PolarHBondContact O-N 2.87Å; H406-V408 PolarHBondContact O-N 3.34Å; V408-F410 VanDerWaalsContact C-N 3.34Å; V408-F410 PolarHBondContact O-N 2.81Å; V408-V411 PolarHBondContact O-N 3.49Å; V408-L412 HydrophobicContact CG1-CD1 3.51Å; V408-L412 HydrophobicContact CG1-CG 4.07Å; V408-L412 VanDerWaalsContact O-CB 3.27Å; V408-L412 WeakPolarHBondContact O-CB 3.33Å; V408-L412 WeakPolarHBondContact O-CG 3.37Å; V408-L412 PolarHBondContact O-N 2.99Å; V408-L432 HydrophobicContact CG2-CD1 3.78Å; V408-H517 HydrophobicContact CG1-CB 4.02Å; V408-H517 WeakPolarHBondContact CG1-ND1 3.42Å
409R87.9Confident79.1Confident134 Ų13445.3 Ų45.351%0.50625%0.245SC..Hα-helixtrans-60.5-44174.8-76-179.7-179.3154.9-0.7112.1Q405 H406 L412 S413Q405-R409 VanDerWaalsContact NE2-CZ 3.29Å; Q405-R409 WeakPolarHBondContact O-CB 3.45Å; Q405-R409 WeakPolarHBondContact O-CG 3.26Å; Q405-R409 PolarHBondContact O-N 3.39Å; H406-R409 PolarHBondContact O-N 2.89Å; R409-L412 PolarHBondContact O-N 2.97Å; R409-S413 WeakPolarHBondContact O-CA 3.45Å; R409-S413 WeakPolarHBondContact O-CB 3.39Å; R409-S413 PolarHBondContact O-N 3.18Å; R409-S413 PolarHBondContact O-OG 2.83Å
410F88.8Confident78.5Confident24 Ų2442.4 Ų42.411%0.10523%0.23CC..Hα-helixtrans-65-39.4179.6179.8-95.6000112.4L274 R275 L278 H406 M407 V408 S413 R425L274-F410 HydrophobicContact CB-CD1 4.3Å; L274-F410 HydrophobicContact CB-CE1 3.4Å; L274-F410 HydrophobicContact CB-CE2 4.37Å; L274-F410 HydrophobicContact CB-CZ 3.44Å; L274-F410 VanDerWaalsContact CB-CZ 3.44Å; L274-F410 HydrophobicContact CD1-CD1 4.2Å; L274-F410 HydrophobicContact CD1-CD2 4.47Å; L274-F410 HydrophobicContact CD1-CE1 4.03Å; L274-F410 HydrophobicContact CD1-CE2 4.31Å; L274-F410 HydrophobicContact CD1-CG 4.41Å; L274-F410 HydrophobicContact CD1-CZ 4.08Å; L274-F410 HydrophobicContact CG-CE1 4.36Å; L274-F410 HydrophobicContact CG-CZ 4.35Å; R275-F410 HydrophobicContact CG-CZ 3.95Å; L278-F410 HydrophobicContact CD1-CD1 4.31Å; L278-F410 HydrophobicContact CD1-CE1 3.69Å; H406-F410 VanDerWaalsContact O-CB 3.31Å; H406-F410 WeakPolarHBondContact O-CB 3.32Å; H406-F410 PolarHBondContact O-N 2.84Å; M407-F410 PolarHBondContact O-N 3.4Å; M407-F410 HydrophobicContact SD-CD1 4.43Å; V408-F410 VanDerWaalsContact C-N 3.34Å; V408-F410 PolarHBondContact O-N 2.81Å; F410-S413 PolarHBondContact O-OG 3.09Å; F410-R425 PolarHBondContact O-NH1 3.26Å
411V88.5Confident78.2Confident0 Ų040.7 Ų40.70%022%0.217CC..Hα-helixtrans-74.8-35.3179.9175.60000111.5L278 M407 V408 R425 V428 V429L278-V411 HydrophobicContact CD2-CG2 4.43Å; M407-V411 HydrophobicContact CG-CG2 4.25Å; M407-V411 WeakPolarHBondContact O-CB 3.42Å; M407-V411 WeakPolarHBondContact O-CG2 3.37Å; M407-V411 PolarHBondContact O-N 2.87Å; M407-V411 HydrophobicContact SD-CG2 4.12Å; V408-V411 PolarHBondContact O-N 3.49Å; V411-R425 VanDerWaalsContact C-NH1 3.34Å; V411-R425 HydrophobicContact CG1-CB 3.56Å; V411-R425 HydrophobicContact CG1-CG 3.88Å; V411-R425 VanDerWaalsContact CG1-O 3.23Å; V411-R425 WeakPolarHBondContact CG1-O 3.38Å; V411-R425 WeakPolarHBondContact O-CD 2.94Å; V411-R425 PolarHBondContact O-NH1 3.05Å; V411-V428 HydrophobicContact CG2-CB 4.38Å; V411-V428 HydrophobicContact CG2-CG1 3.9Å; V411-V429 HydrophobicContact CB-CG2 4.23Å; V411-V429 HydrophobicContact CG1-CG2 3.43Å; V411-V429 VanDerWaalsContact CG1-CG2 3.43Å
412L85.4Confident78.1Confident21 Ų2141.6 Ų41.611%0.1122%0.221CC..Hα-helixtrans-86.1-16.4177.5-61.2-179.7000113.9V408 R409 S414 V429 F524V408-L412 HydrophobicContact CG1-CD1 3.51Å; V408-L412 HydrophobicContact CG1-CG 4.07Å; V408-L412 VanDerWaalsContact O-CB 3.27Å; V408-L412 WeakPolarHBondContact O-CB 3.33Å; V408-L412 WeakPolarHBondContact O-CG 3.37Å; V408-L412 PolarHBondContact O-N 2.99Å; R409-L412 PolarHBondContact O-N 2.97Å; L412-S414 PolarHBondContact O-N 3.28Å; L412-V429 HydrophobicContact CD2-CG2 4.16Å; L412-F524 HydrophobicContact CD2-CB 3.67Å; L412-F524 HydrophobicContact CD2-CD1 3.58Å; L412-F524 HydrophobicContact CD2-CD2 4.18Å; L412-F524 HydrophobicContact CD2-CE1 4.26Å; L412-F524 HydrophobicContact CD2-CG 3.53Å
413S80.4Confident78Confident63 Ų6341.2 Ų41.244%0.44122%0.219SC..SBendtrans-62.9121.3179.859.10000109.2R409 F410 F417R409-S413 WeakPolarHBondContact O-CA 3.45Å; R409-S413 WeakPolarHBondContact O-CB 3.39Å; R409-S413 PolarHBondContact O-N 3.18Å; R409-S413 PolarHBondContact O-OG 2.83Å; F410-S413 PolarHBondContact O-OG 3.09Å; S413-F417 WeakPolarHBondContact O-CZ 3.34Å
414S57.4Low78.1Confident97 Ų9740.5 Ų40.568%0.67821%0.212SC*.  trans-76.1125.2-163.6-55.90000112.5L412L412-S414 PolarHBondContact O-N 3.28Å
415A51.6Low78.3Confident40 Ų4038.2 Ų38.233%0.33120%0.199SC..  trans-136.6159.5154.200000107.5F417A415-F417 HydrophobicContact CB-CD1 4.16Å; A415-F417 HydrophobicContact CB-CE1 3.71Å; A415-F417 HydrophobicContact CB-CZ 4.4Å; A415-F417 WeakPolarHBondContact O-CD1 3.37Å; A415-F417 WeakPolarHBondContact O-CD2 3.42Å; A415-F417 WeakPolarHBondContact O-CE1 3.19Å; A415-F417 WeakPolarHBondContact O-CE2 3.43Å; A415-F417 VanDerWaalsContact O-CG 3.3Å; A415-F417 WeakPolarHBondContact O-CG 3.32Å; A415-F417 VanDerWaalsContact O-CZ 3.25Å; A415-F417 WeakPolarHBondContact O-CZ 3.33Å; A415-F417 PolarHBondContact O-N 3.47Å
416K55.8Low78.5Confident109 Ų10934.4 Ų34.447%0.47418%0.181SC..  trans-68.198.9171.1-71.2-176.4-178.4-179.40107.9P544K416-P544 HydrophobicContact CD-CG 4.14Å; K416-P544 HydrophobicContact CG-CG 3.96Å
417F62.5Low78.6Confident27 Ų2733.9 Ų33.912%0.11818%0.181CC..  trans-79.5142.2-172-53.1-59.1000112.3S413 A415 H421 L422 R425 F524S413-F417 WeakPolarHBondContact O-CZ 3.34Å; A415-F417 HydrophobicContact CB-CD1 4.16Å; A415-F417 HydrophobicContact CB-CE1 3.71Å; A415-F417 HydrophobicContact CB-CZ 4.4Å; A415-F417 WeakPolarHBondContact O-CD1 3.37Å; A415-F417 WeakPolarHBondContact O-CD2 3.42Å; A415-F417 WeakPolarHBondContact O-CE1 3.19Å; A415-F417 WeakPolarHBondContact O-CE2 3.43Å; A415-F417 VanDerWaalsContact O-CG 3.3Å; A415-F417 WeakPolarHBondContact O-CG 3.32Å; A415-F417 VanDerWaalsContact O-CZ 3.25Å; A415-F417 WeakPolarHBondContact O-CZ 3.33Å; A415-F417 PolarHBondContact O-N 3.47Å; F417-H421 HydrophobicContact CB-CB 3.95Å; F417-H421 HydrophobicContact CD1-CB 4.42Å; F417-H421 HydrophobicContact CG-CB 4.46Å; F417-L422 HydrophobicContact CB-CB 4.32Å; F417-R425 VanDerWaalsContact CD1-NE 3.34Å; F417-F524 HydrophobicContact CE2-CE2 4.03Å; F417-F524 HydrophobicContact CE2-CZ 4.42Å
418H66.4Low78.7Confident85 Ų8533.9 Ų33.939%0.39418%0.181SC..  trans-59151.3155.5-167.963.4000109.8T420 H421 L422H418-T420 VanDerWaalsContact C-N 3.25Å; H418-T420 PolarHBondContact CD2-OG1 2.69Å; H418-T420 PolarHBondContact O-N 3.33Å; H418-T420 VanDerWaalsContact O-N 3.16Å; H418-H421 WeakPolarHBondContact O-CB 3.12Å; H418-H421 PolarHBondContact O-N 2.68Å; H418-H421 VanDerWaalsContact O-N 3.1Å; H418-L422 PolarHBondContact O-N 3.3Å; H418-L422 VanDerWaalsContact O-N 3.14Å
419A69Low78.8Confident16 Ų1633.4 Ų33.413%0.13218%0.178CC..Hα-helixtrans-59.5-33.6-170.500000113.3L422 I423 T600A419-L422 WeakPolarHBondContact O-CB 3.22Å; A419-L422 PolarHBondContact O-N 3.48Å; A419-I423 WeakPolarHBondContact O-CG1 3.49Å; A419-I423 PolarHBondContact O-N 2.9Å; A419-I423 VanDerWaalsContact O-N 3.09Å; A419-T600 HydrophobicContact CB-CG2 3.54Å
420T73.2Confident78.9Confident1 Ų127.3 Ų27.31%0.00616%0.156CC..Hα-helixtrans-69.8-41.3176.3570000112.9G282 Q284 H418 L422 I423 G424G282-T420 WeakPolarHBondContact CA-O 3.1Å; Q284-T420 HydrophobicContact CB-CG2 4.31Å; H418-T420 VanDerWaalsContact C-N 3.25Å; H418-T420 PolarHBondContact CD2-OG1 2.69Å; H418-T420 PolarHBondContact O-N 3.33Å; H418-T420 VanDerWaalsContact O-N 3.16Å; T420-L422 PolarHBondContact O-N 3.35Å; T420-I423 PolarHBondContact O-N 2.95Å; T420-I423 VanDerWaalsContact O-N 3.15Å; T420-G424 PolarHBondContact O-N 3.48Å
421H79.1Confident79Confident17 Ų1731 Ų318%0.07917%0.172CC..Hα-helixtrans-57.3-41.4172-76118.9000111.3D19 R275 F417 H418 G424 R425D19-H421 IonicContact OD2-CE1 2.81Å; R275-H421 PolarHBondContact O-NE2 3.03Å; F417-H421 HydrophobicContact CB-CB 3.95Å; F417-H421 HydrophobicContact CD1-CB 4.42Å; F417-H421 HydrophobicContact CG-CB 4.46Å; H418-H421 WeakPolarHBondContact O-CB 3.12Å; H418-H421 PolarHBondContact O-N 2.68Å; H418-H421 VanDerWaalsContact O-N 3.1Å; H421-G424 PolarHBondContact O-N 3.42Å; H421-R425 WeakPolarHBondContact O-CB 3.03Å; H421-R425 WeakPolarHBondContact O-CG 3.23Å; H421-R425 PolarHBondContact O-N 2.99Å
422L82.1Confident79.1Confident22 Ų2231.2 Ų31.212%0.11517%0.173CC..Hα-helixtrans-61.2-46.1175.8175.260.4000111.8F417 H418 A419 T420 R425 L426 F524 H528 A604F417-L422 HydrophobicContact CB-CB 4.32Å; H418-L422 PolarHBondContact O-N 3.3Å; H418-L422 VanDerWaalsContact O-N 3.14Å; A419-L422 WeakPolarHBondContact O-CB 3.22Å; A419-L422 PolarHBondContact O-N 3.48Å; T420-L422 PolarHBondContact O-N 3.35Å; L422-R425 PolarHBondContact O-N 3.24Å; L422-L426 HydrophobicContact CD1-CD1 3.82Å; L422-L426 HydrophobicContact CD1-CG 3.95Å; L422-L426 HydrophobicContact CG-CD1 3.88Å; L422-L426 HydrophobicContact CG-CG 4.44Å; L422-L426 WeakPolarHBondContact O-CB 3.21Å; L422-L426 VanDerWaalsContact O-CG 3.29Å; L422-L426 WeakPolarHBondContact O-CG 3.31Å; L422-L426 PolarHBondContact O-N 3.46Å; L422-F524 HydrophobicContact CD1-CE1 4.48Å; L422-F524 HydrophobicContact CD1-CZ 3.93Å; L422-H528 HydrophobicContact CD1-CB 4.23Å; L422-H528 VanDerWaalsContact CD1-CD2 3.41Å; L422-H528 WeakPolarHBondContact CD1-CD2 3.29Å; L422-H528 HydrophobicContact CD2-CB 4.1Å; L422-A604 HydrophobicContact CD2-CB 4.14Å; L422-A604 HydrophobicContact CG-CB 4.43Å
423I84.4Confident79.2Confident2 Ų230.8 Ų30.81%0.0117%0.17CC..Hα-helixtrans-60.7-46.9175.9-66.9170.8000110.7G282 A419 T420 R425 L426 T427 T600 K603 A604 I607G282-I423 WeakPolarHBondContact O-CG2 3.15Å; A419-I423 WeakPolarHBondContact O-CG1 3.49Å; A419-I423 PolarHBondContact O-N 2.9Å; A419-I423 VanDerWaalsContact O-N 3.09Å; T420-I423 PolarHBondContact O-N 2.95Å; T420-I423 VanDerWaalsContact O-N 3.15Å; I423-R425 VanDerWaalsContact C-N 3.31Å; I423-R425 PolarHBondContact O-N 3.43Å; I423-L426 PolarHBondContact O-N 3.17Å; I423-T427 HydrophobicContact CG2-CG2 4.17Å; I423-T427 WeakPolarHBondContact O-CB 3.27Å; I423-T427 VanDerWaalsContact O-CG2 3.25Å; I423-T427 WeakPolarHBondContact O-CG2 3.47Å; I423-T427 PolarHBondContact O-N 2.96Å; I423-T427 PolarHBondContact O-OG1 3.34Å; I423-T600 HydrophobicContact CD1-CG2 3.46Å; I423-T600 VanDerWaalsContact CD1-CG2 3.46Å; I423-K603 HydrophobicContact CD1-CB 4.27Å; I423-K603 HydrophobicContact CD1-CD 4.15Å; I423-K603 HydrophobicContact CD1-CG 4.2Å; I423-A604 HydrophobicContact CD1-CB 4.45Å; I423-A604 HydrophobicContact CG1-CB 3.76Å; I423-I607 HydrophobicContact CG2-CD1 3.77Å
424G88.1Confident79.5Confident0 Ų030.9 Ų30.90%016%0.161CC..Hα-helixtrans-59.1-42.3177.800000112.3L278 T420 H421 T427 V428L278-G424 WeakPolarHBondContact O-CA 3.38Å; T420-G424 PolarHBondContact O-N 3.48Å; H421-G424 PolarHBondContact O-N 3.42Å; G424-T427 WeakPolarHBondContact CA-OG1 3.28Å; G424-T427 PolarHBondContact O-OG1 3.2Å; G424-V428 VanDerWaalsContact O-CG2 3.25Å; G424-V428 WeakPolarHBondContact O-CG2 3.49Å; G424-V428 PolarHBondContact O-N 3.44Å; G424-V428 VanDerWaalsContact O-N 3.07Å
425R90.2Very high80.8Confident11 Ų1128.4 Ų28.44%0.04214%0.139CC..Hα-helixtrans-64.9-49.6176.5-72172.6-178.4-83.1-1.2111.7L278 F410 V411 F417 H421 L422 I423 T427 V428 V429 F524L278-R425 HydrophobicContact CD1-CG 3.98Å; L278-R425 HydrophobicContact CD2-CG 4.19Å; F410-R425 PolarHBondContact O-NH1 3.26Å; V411-R425 VanDerWaalsContact C-NH1 3.34Å; V411-R425 HydrophobicContact CG1-CB 3.56Å; V411-R425 HydrophobicContact CG1-CG 3.88Å; V411-R425 VanDerWaalsContact CG1-O 3.23Å; V411-R425 WeakPolarHBondContact CG1-O 3.38Å; V411-R425 WeakPolarHBondContact O-CD 2.94Å; V411-R425 PolarHBondContact O-NH1 3.05Å; F417-R425 VanDerWaalsContact CD1-NE 3.34Å; H421-R425 WeakPolarHBondContact O-CB 3.03Å; H421-R425 WeakPolarHBondContact O-CG 3.23Å; H421-R425 PolarHBondContact O-N 2.99Å; L422-R425 PolarHBondContact O-N 3.24Å; I423-R425 VanDerWaalsContact C-N 3.31Å; I423-R425 PolarHBondContact O-N 3.43Å; R425-T427 VanDerWaalsContact C-N 3.35Å; R425-T427 PolarHBondContact O-N 3.16Å; R425-V428 PolarHBondContact O-N 3.11Å; R425-V429 WeakPolarHBondContact O-CG2 3.08Å; R425-V429 PolarHBondContact O-N 3.47Å; R425-F524 HydrophobicContact CB-CZ 4.28Å
426L89.5Confident82.1Confident0 Ų029.1 Ų29.10%014%0.136CC..Hα-helixtrans-61.3-42179.3-73.5170000112.1L422 I423 V429 D430 F524 A604 I607 A608 V611L422-L426 HydrophobicContact CD1-CD1 3.82Å; L422-L426 HydrophobicContact CD1-CG 3.95Å; L422-L426 HydrophobicContact CG-CD1 3.88Å; L422-L426 HydrophobicContact CG-CG 4.44Å; L422-L426 WeakPolarHBondContact O-CB 3.21Å; L422-L426 VanDerWaalsContact O-CG 3.29Å; L422-L426 WeakPolarHBondContact O-CG 3.31Å; L422-L426 PolarHBondContact O-N 3.46Å; I423-L426 PolarHBondContact O-N 3.17Å; L426-V429 PolarHBondContact O-N 3.44Å; L426-D430 VanDerWaalsContact O-CB 3.29Å; L426-D430 WeakPolarHBondContact O-CB 3.41Å; L426-D430 PolarHBondContact O-N 2.96Å; L426-F524 HydrophobicContact CD2-CD1 4.06Å; L426-F524 HydrophobicContact CD2-CE1 3.64Å; L426-F524 HydrophobicContact CG-CE1 4.14Å; L426-A604 HydrophobicContact CD1-CB 4.46Å; L426-A604 WeakPolarHBondContact CD1-O 3.23Å; L426-I607 HydrophobicContact CB-CB 4.32Å; L426-I607 HydrophobicContact CB-CG2 3.62Å; L426-A608 HydrophobicContact CD1-CB 3.96Å; L426-A608 HydrophobicContact CD2-CB 4.15Å; L426-V611 HydrophobicContact CD2-CG2 4.35Å; L426-V611 WeakPolarHBondContact O-CG2 3Å
427T89.9Confident83.2Confident30 Ų3026.1 Ų26.118%0.18412%0.123CC..Hα-helixtrans-66.5-41.9178.748.60000112.6V281 I423 G424 R425 D430 K431 I607V281-T427 WeakPolarHBondContact CG1-OG1 3.43Å; I423-T427 HydrophobicContact CG2-CG2 4.17Å; I423-T427 WeakPolarHBondContact O-CB 3.27Å; I423-T427 VanDerWaalsContact O-CG2 3.25Å; I423-T427 WeakPolarHBondContact O-CG2 3.47Å; I423-T427 PolarHBondContact O-N 2.96Å; I423-T427 PolarHBondContact O-OG1 3.34Å; G424-T427 WeakPolarHBondContact CA-OG1 3.28Å; G424-T427 PolarHBondContact O-OG1 3.2Å; R425-T427 VanDerWaalsContact C-N 3.35Å; R425-T427 PolarHBondContact O-N 3.16Å; T427-D430 PolarHBondContact O-N 3.11Å; T427-K431 PolarHBondContact O-N 2.89Å; T427-I607 HydrophobicContact CG2-CD1 3.81Å; T427-I607 HydrophobicContact CG2-CG2 4.23Å
428V92.7Very high83.9Confident0 Ų028.7 Ų28.70%014%0.141CC..Hα-helixtrans-62.3-48.5174.8172.20000110.1L278 V281 L372 L375 M407 V411 G424 R425 D430 K431 L432L278-V428 HydrophobicContact CD2-CB 4.48Å; L278-V428 HydrophobicContact CD2-CG2 3.86Å; V281-V428 HydrophobicContact CG1-CG2 4.48Å; L372-V428 HydrophobicContact CD1-CG2 3.88Å; L375-V428 HydrophobicContact CB-CG2 4.44Å; L375-V428 HydrophobicContact CD1-CG2 3.8Å; M407-V428 HydrophobicContact CG-CG1 4.31Å; V411-V428 HydrophobicContact CG2-CB 4.38Å; V411-V428 HydrophobicContact CG2-CG1 3.9Å; G424-V428 VanDerWaalsContact O-CG2 3.25Å; G424-V428 WeakPolarHBondContact O-CG2 3.49Å; G424-V428 PolarHBondContact O-N 3.44Å; G424-V428 VanDerWaalsContact O-N 3.07Å; R425-V428 PolarHBondContact O-N 3.11Å; V428-D430 VanDerWaalsContact C-N 3.34Å; V428-D430 PolarHBondContact O-N 3.32Å; V428-K431 PolarHBondContact O-N 3.44Å; V428-K431 VanDerWaalsContact O-N 3.15Å; V428-L432 HydrophobicContact CG1-CD1 3.87Å; V428-L432 HydrophobicContact CG1-CG 4.15Å; V428-L432 VanDerWaalsContact O-CG 3.28Å; V428-L432 WeakPolarHBondContact O-CG 3.37Å; V428-L432 PolarHBondContact O-N 2.99Å
429V91.4Very high84.3Confident2 Ų230.2 Ų30.21%0.01214%0.144CC..Hα-helixtrans-57.7-46177170.70000111.9V411 L412 R425 L426 K431 L432 I433 T521 V611V411-V429 HydrophobicContact CB-CG2 4.23Å; V411-V429 HydrophobicContact CG1-CG2 3.43Å; V411-V429 VanDerWaalsContact CG1-CG2 3.43Å; L412-V429 HydrophobicContact CD2-CG2 4.16Å; R425-V429 WeakPolarHBondContact O-CG2 3.08Å; R425-V429 PolarHBondContact O-N 3.47Å; L426-V429 PolarHBondContact O-N 3.44Å; V429-K431 VanDerWaalsContact C-N 3.28Å; V429-K431 PolarHBondContact O-N 2.54Å; V429-L432 PolarHBondContact O-N 3.12Å; V429-I433 HydrophobicContact CG1-CD1 3.91Å; V429-I433 HydrophobicContact CG1-CG1 4.47Å; V429-I433 WeakPolarHBondContact O-CG1 3.11Å; V429-I433 PolarHBondContact O-N 3.32Å; V429-T521 HydrophobicContact CG1-CG2 3.33Å; V429-V611 HydrophobicContact CG1-CG1 3.76Å
430D90.7Very high84.4Confident7 Ų732 Ų324%0.03715%0.147CC..Hα-helixtrans-56.6-43.2177.5-167.830.1000111.6L426 T427 V428 R434 R610 V611L426-D430 VanDerWaalsContact O-CB 3.29Å; L426-D430 WeakPolarHBondContact O-CB 3.41Å; L426-D430 PolarHBondContact O-N 2.96Å; T427-D430 PolarHBondContact O-N 3.11Å; V428-D430 VanDerWaalsContact C-N 3.34Å; V428-D430 PolarHBondContact O-N 3.32Å; D430-R434 VanDerWaalsContact CG-CZ 3.45Å; D430-R434 VanDerWaalsContact CG-NH2 3.26Å; D430-R434 PolarHBondContact O-N 3.32Å; D430-R434 IonicContact OD1-CZ 3.41Å; D430-R434 IonicContact OD1-NH1 2.77Å; D430-R434 PolarHBondContact OD1-NH1 2.93Å; D430-R434 IonicContact OD1-NH2 3.24Å; D430-R434 IonicContact OD2-CZ 3.94Å; D430-R434 IonicContact OD2-NH1 3.76Å; D430-R434 PolarHBondContact OD2-NH1 3.46Å; D430-R434 IonicContact OD2-NH2 2.65Å; D430-R434 PolarHBondContact OD2-NH2 3.36Å; D430-R610 WeakPolarHBondContact OD2-CD 3.39Å; D430-R610 IonicContact OD2-CZ 3.88Å; D430-R610 IonicContact OD2-NE 2.96Å; D430-V611 HydrophobicContact CB-CG2 3.63Å
431K91Very high84.2Confident101 Ų10136.6 Ų36.644%0.43917%0.17SC..Hα-helixtrans-72.2-36.8178.6-16867.4174.8-173.60112.2I376 T427 V428 V429 R434 M435I376-K431 HydrophobicContact CD1-CB 3.79Å; I376-K431 HydrophobicContact CD1-CG 3.61Å; I376-K431 HydrophobicContact CG1-CG 3.98Å; T427-K431 PolarHBondContact O-N 2.89Å; V428-K431 PolarHBondContact O-N 3.44Å; V428-K431 VanDerWaalsContact O-N 3.15Å; V429-K431 VanDerWaalsContact C-N 3.28Å; V429-K431 PolarHBondContact O-N 2.54Å; K431-R434 PolarHBondContact O-N 3.08Å; K431-M435 WeakPolarHBondContact O-CB 3.48Å; K431-M435 PolarHBondContact O-N 3.22Å
432L90.6Very high83.5Confident5 Ų540 Ų403%0.02619%0.189CC..Hα-helixtrans-65.8-42.3176.9-69178.3000112.4I376 A379 M407 V408 V428 V429 M435 H436I376-L432 HydrophobicContact CD1-CD2 3.84Å; I376-L432 HydrophobicContact CD1-CG 4.22Å; A379-L432 HydrophobicContact CB-CD2 3.39Å; M407-L432 HydrophobicContact CB-CD1 4.32Å; M407-L432 HydrophobicContact CG-CD1 3.91Å; V408-L432 HydrophobicContact CG2-CD1 3.78Å; V428-L432 HydrophobicContact CG1-CD1 3.87Å; V428-L432 HydrophobicContact CG1-CG 4.15Å; V428-L432 VanDerWaalsContact O-CG 3.28Å; V428-L432 WeakPolarHBondContact O-CG 3.37Å; V428-L432 PolarHBondContact O-N 2.99Å; V429-L432 PolarHBondContact O-N 3.12Å; L432-M435 HydrophobicContact CD2-CE 3.73Å; L432-M435 PolarHBondContact O-N 3.1Å; L432-H436 PolarHBondContact O-N 3.46Å
433I88.1Confident82.6Confident12 Ų1242.1 Ų42.16%0.06220%0.2CC..Hα-helixtrans-62.3-46.4176-64.2163.4000110.1V429 M435 H436 Q437 L518 T521 V611 T614 A615 A618V429-I433 HydrophobicContact CG1-CD1 3.91Å; V429-I433 HydrophobicContact CG1-CG1 4.47Å; V429-I433 WeakPolarHBondContact O-CG1 3.11Å; V429-I433 PolarHBondContact O-N 3.32Å; I433-M435 PolarHBondContact O-N 3.32Å; I433-H436 PolarHBondContact O-N 3.19Å; I433-Q437 HydrophobicContact CG2-CG 4.34Å; I433-Q437 WeakPolarHBondContact O-CG 3.13Å; I433-Q437 PolarHBondContact O-N 2.95Å; I433-L518 HydrophobicContact CG1-CD2 4.37Å; I433-T521 HydrophobicContact CD1-CG2 3.8Å; I433-V611 HydrophobicContact CD1-CG1 4.4Å; I433-T614 HydrophobicContact CB-CG2 4.14Å; I433-T614 HydrophobicContact CG2-CG2 3.52Å; I433-A615 HydrophobicContact CD1-CB 3.79Å; I433-A618 HydrophobicContact CG2-CB 4.18Å
434R86.4Confident81.2Confident65 Ų6546.4 Ų46.425%0.24522%0.221CC..Hα-helixtrans-60.4-45176.8-78.9-166.5-72.9-91.32.7112.2D430 K431 H436 Q437 T438 R610 T614D430-R434 VanDerWaalsContact CG-CZ 3.45Å; D430-R434 VanDerWaalsContact CG-NH2 3.26Å; D430-R434 PolarHBondContact O-N 3.32Å; D430-R434 IonicContact OD1-CZ 3.41Å; D430-R434 IonicContact OD1-NH1 2.77Å; D430-R434 PolarHBondContact OD1-NH1 2.93Å; D430-R434 IonicContact OD1-NH2 3.24Å; D430-R434 IonicContact OD2-CZ 3.94Å; D430-R434 IonicContact OD2-NH1 3.76Å; D430-R434 PolarHBondContact OD2-NH1 3.46Å; D430-R434 IonicContact OD2-NH2 2.65Å; D430-R434 PolarHBondContact OD2-NH2 3.36Å; K431-R434 PolarHBondContact O-N 3.08Å; R434-H436 VanDerWaalsContact C-N 3.28Å; R434-H436 PolarHBondContact O-N 3.23Å; R434-Q437 PolarHBondContact O-N 3.02Å; R434-T438 PolarHBondContact O-N 3.3Å; R434-T438 PolarHBondContact O-OG1 2.93Å; R434-T438 VanDerWaalsContact O-OG1 3.05Å; R434-R610 VanDerWaalsContact NH1-NH2 3.18Å; R434-T614 HydrophobicContact CG-CG2 4.39Å
435M83.3Confident79.7Confident45 Ų4552.9 Ų52.922%0.22225%0.251CS..Hα-helixtrans-58.7-41.6177.3-174.8178.568.500111.6I376 K380 I404 K431 L432 I433 R439I376-M435 HydrophobicContact CG2-SD 4Å; K380-M435 HydrophobicContact CG-CE 4.48Å; K380-M435 HydrophobicContact CG-SD 4.12Å; I404-M435 HydrophobicContact CD1-CE 3.97Å; I404-M435 HydrophobicContact CG1-CE 4.12Å; K431-M435 WeakPolarHBondContact O-CB 3.48Å; K431-M435 PolarHBondContact O-N 3.22Å; L432-M435 HydrophobicContact CD2-CE 3.73Å; L432-M435 PolarHBondContact O-N 3.1Å; I433-M435 PolarHBondContact O-N 3.32Å; M435-R439 WeakPolarHBondContact O-CB 3.4Å; M435-R439 PolarHBondContact O-N 3.37Å
436H79.7Confident77.9Confident55 Ų5559 Ų5926%0.25528%0.28SS..Hα-helixtrans-66.4-43.1175.8-17670.7000112.3L432 I433 R434 R439 R440L432-H436 PolarHBondContact O-N 3.46Å; I433-H436 PolarHBondContact O-N 3.19Å; R434-H436 VanDerWaalsContact C-N 3.28Å; R434-H436 PolarHBondContact O-N 3.23Å; H436-R439 PolarHBondContact O-N 2.78Å; H436-R440 WeakPolarHBondContact O-CB 3.46Å; H436-R440 PolarHBondContact O-N 3.19Å
437Q79.1Confident76Confident46 Ų4664.3 Ų64.322%0.21531%0.305CS..Hα-helixtrans-60.4-46.4175.7-74.1175.2-22.300111.8I433 R434 R439 R440 I441 T614 A618I433-Q437 HydrophobicContact CG2-CG 4.34Å; I433-Q437 WeakPolarHBondContact O-CG 3.13Å; I433-Q437 PolarHBondContact O-N 2.95Å; R434-Q437 PolarHBondContact O-N 3.02Å; Q437-R439 PolarHBondContact O-N 3.46Å; Q437-R440 PolarHBondContact O-N 2.99Å; Q437-I441 WeakPolarHBondContact O-CG1 3.33Å; Q437-I441 PolarHBondContact O-N 3.22Å; Q437-T614 PolarHBondContact NE2-O 3.25Å; Q437-A618 HydrophobicContact CG-CB 4.45Å
438T77.3Confident73.7Confident81 Ų8167 Ų6750%0.49732%0.323SS..Hα-helixtrans-61.6-44.6177.2-56.10000111.5R434 R440 I441 L442R434-T438 PolarHBondContact O-N 3.3Å; R434-T438 PolarHBondContact O-OG1 2.93Å; R434-T438 VanDerWaalsContact O-OG1 3.05Å; T438-R440 VanDerWaalsContact C-N 3.28Å; T438-R440 PolarHBondContact O-N 3.23Å; T438-I441 PolarHBondContact O-N 3.02Å; T438-L442 HydrophobicContact CG2-CD1 4.22Å; T438-L442 WeakPolarHBondContact O-CG 3.21Å; T438-L442 PolarHBondContact O-N 3.5Å
439R75.1Confident71Confident117 Ų11775.4 Ų75.444%0.44236%0.362SS..Hα-helixtrans-61-38.5176.4-173.1174.2179166.1-0.1111.7M435 H436 Q437 L443M435-R439 WeakPolarHBondContact O-CB 3.4Å; M435-R439 PolarHBondContact O-N 3.37Å; H436-R439 PolarHBondContact O-N 2.78Å; Q437-R439 PolarHBondContact O-N 3.46Å; R439-L443 HydrophobicContact CG-CD1 4.35Å; R439-L443 VanDerWaalsContact O-CG 3.32Å; R439-L443 WeakPolarHBondContact O-CG 3.11Å; R439-L443 PolarHBondContact O-N 2.89Å; R439-L443 VanDerWaalsContact O-N 3.11Å
440R70Confident68.3Low52 Ų5284 Ų8420%0.19640%0.395CS..Hα-helixtrans-65.3-45.6175.9-175.5178167.2-159.6-6.6111.8H436 Q437 T438 L442 L443 M444 T621 E625H436-R440 WeakPolarHBondContact O-CB 3.46Å; H436-R440 PolarHBondContact O-N 3.19Å; Q437-R440 PolarHBondContact O-N 2.99Å; T438-R440 VanDerWaalsContact C-N 3.28Å; T438-R440 PolarHBondContact O-N 3.23Å; R440-L442 VanDerWaalsContact C-N 3.35Å; R440-L442 PolarHBondContact O-N 3.04Å; R440-L443 PolarHBondContact O-N 3.09Å; R440-M444 WeakPolarHBondContact O-CG 3.29Å; R440-M444 PolarHBondContact O-N 2.96Å; R440-T621 PolarHBondContact NH1-O 3.42Å; R440-T621 PolarHBondContact NH2-O 2.89Å; R440-E625 IonicContact CZ-OE1 3.64Å; R440-E625 IonicContact CZ-OE2 3.68Å; R440-E625 IonicContact NH2-OE1 2.72Å; R440-E625 PolarHBondContact NH2-OE1 3.49Å; R440-E625 IonicContact NH2-OE2 3.78Å; R440-E625 PolarHBondContact NH2-OE2 3.33Å
441I69.7Low65.4Low98 Ų9891 Ų9150%0.50343%0.427SS..Hα-helixtrans-61.1-43.6177.8-66.6164.6000111Q437 T438 L443 M444 Q445Q437-I441 WeakPolarHBondContact O-CG1 3.33Å; Q437-I441 PolarHBondContact O-N 3.22Å; T438-I441 PolarHBondContact O-N 3.02Å; I441-L443 VanDerWaalsContact C-N 3.34Å; I441-L443 PolarHBondContact O-N 3.13Å; I441-M444 PolarHBondContact O-N 3.39Å; I441-Q445 WeakPolarHBondContact O-CG 3.34Å; I441-Q445 PolarHBondContact O-N 3.03Å
442L63.6Low62.5Low90 Ų9094.2 Ų94.247%0.47144%0.444SS..Hα-helixtrans-61.7-40.1176.9-75.9169.1000112.5T438 R440 M444 Q445 Q446T438-L442 HydrophobicContact CG2-CD1 4.22Å; T438-L442 WeakPolarHBondContact O-CG 3.21Å; T438-L442 PolarHBondContact O-N 3.5Å; R440-L442 VanDerWaalsContact C-N 3.35Å; R440-L442 PolarHBondContact O-N 3.04Å; L442-M444 VanDerWaalsContact C-N 3.33Å; L442-Q445 PolarHBondContact O-N 3.47Å; L442-Q446 WeakPolarHBondContact O-CG 3.48Å; L442-Q446 PolarHBondContact O-N 2.82Å
443L63.4Low59.5Low66 Ų6698.3 Ų98.335%0.34647%0.473SS..Hα-helixtrans-67.5-33.3176.4-72.2170.1000112.5R439 R440 I441 Q446R439-L443 HydrophobicContact CG-CD1 4.35Å; R439-L443 VanDerWaalsContact O-CG 3.32Å; R439-L443 WeakPolarHBondContact O-CG 3.11Å; R439-L443 PolarHBondContact O-N 2.89Å; R439-L443 VanDerWaalsContact O-N 3.11Å; R440-L443 PolarHBondContact O-N 3.09Å; I441-L443 VanDerWaalsContact C-N 3.34Å; I441-L443 PolarHBondContact O-N 3.13Å; L443-Q446 PolarHBondContact O-N 3.24Å
444M56.1Low56.7Low92 Ų92104 Ų10445%0.45350%0.502SS..Hα-helixtrans-69.5-41.1175.1-68.9-62-68.100112R440 I441 L442 Q446 Q447R440-M444 WeakPolarHBondContact O-CG 3.29Å; R440-M444 PolarHBondContact O-N 2.96Å; I441-M444 PolarHBondContact O-N 3.39Å; L442-M444 VanDerWaalsContact C-N 3.33Å; M444-Q446 PolarHBondContact O-N 2.97Å; M444-Q447 PolarHBondContact O-N 2.66Å
445Q55.3Low54Low136 Ų136108 Ų10864%0.63653%0.528SS*.Hα-helixtrans-65.4-20.1177.6-73.6178.9-0.800113.5I441 L442 P448I441-Q445 WeakPolarHBondContact O-CG 3.34Å; I441-Q445 PolarHBondContact O-N 3.03Å; L442-Q445 PolarHBondContact O-N 3.47Å; Q445-P448 WeakPolarHBondContact O-CD 3.28Å
446Q53.5Low51.4Low138 Ų138113.8 Ų113.865%0.64556%0.559SS**THydrogen-bonded Turntrans-84-9.1177.2-71.8178.516.300113.9L442 L443 M444L442-Q446 WeakPolarHBondContact O-CG 3.48Å; L442-Q446 PolarHBondContact O-N 2.82Å; L443-Q446 PolarHBondContact O-N 3.24Å; M444-Q446 PolarHBondContact O-N 2.97Å
447Q49.4Very low48.9Very low112 Ų112115.7 Ų115.752%0.52358%0.579SS.*SBendtrans-78.3-15.6-179.4-70.1-165.4-0.400118.1M444 Q449 R450M444-Q447 PolarHBondContact O-N 2.66Å; Q447-Q449 VanDerWaalsContact C-N 3.27Å; Q447-Q449 PolarHBondContact O-N 3Å; Q447-R450 PolarHBondContact O-N 2.85Å
448P40.8Very low46.4Very low86 Ų86118.2 Ų118.256%0.55860%0.601SS**G310 helixtrans-65.5-25.6-179.5-19.531.3000114.3Q445 R450Q445-P448 WeakPolarHBondContact O-CD 3.28Å; P448-R450 PolarHBondContact O-N 3.49Å; P448-R450 VanDerWaalsContact O-N 3.11Å
449Q37.5Very low43.9Very low177 Ų177121.8 Ų121.883%0.82762%0.617SS**G310 helixtrans-764.6-176.3-70.6-157.9-11.600115.2Q447Q447-Q449 VanDerWaalsContact C-N 3.27Å; Q447-Q449 PolarHBondContact O-N 3Å
450R33Very low41.8Very low183 Ų183124.6 Ų124.669%0.69164%0.64SS**G310 helixtrans-96.2-7.9176.1-93-167-82.8-147.3-4.1115.3Q447 P448Q447-R450 PolarHBondContact O-N 2.85Å; P448-R450 PolarHBondContact O-N 3.49Å; P448-R450 VanDerWaalsContact O-N 3.11Å
451Q30.3Very low39.6Very low153 Ų153127.2 Ų127.272%0.71567%0.666SS**SBendtrans-91.2-20.9-178.5-85.4175-4000114.6S453Q451-S453 VanDerWaalsContact C-N 3.33Å; Q451-S453 PolarHBondContact O-N 3.36Å
452E30.8Very low37.6Very low169 Ų169129.4 Ų129.479%0.7968%0.678SS**THydrogen-bonded Turntrans-77.5-14.7-179.5-74.8-17716100114.3
453S27.7Very low36Very low91 Ų91135 Ų13564%0.63670%0.698SS**THydrogen-bonded Turntrans-86.9-3178.1460000114.7Q451Q451-S453 VanDerWaalsContact C-N 3.33Å; Q451-S453 PolarHBondContact O-N 3.36Å
454L29.5Very low34.2Very low131 Ų131138.4 Ų138.469%0.68672%0.717SS**SBendtrans-103.7-6.2-178.3-82.2166.8000115
455L29.5Very low32.7Very low151 Ų151142 Ų14279%0.79174%0.738SS**SBendtrans-95.47.7-178.9-73.9175.1000114.9
456L27.5Very low31.3Very low165 Ų165140 Ų14086%0.86474%0.737SS**SBendtrans-111.315.4-178.7-107.5135.6000114.8
457S26.9Very low30.2Very low96 Ų96141.2 Ų141.267%0.67175%0.748SS**SBendtrans-140.139.9-176.8530000114.9
458S26.6Very low29.3Very low98 Ų98143.1 Ų143.169%0.68576%0.761SS**  trans-112.26.5174.459.40000116.2
459D26.3Very low28.6Very low156 Ų156145.6 Ų145.683%0.83477%0.77SS**  trans-105.856.1177.9-74.1-14.7000112.8
460L29.9Very low28.2Very low176 Ų176143.5 Ų143.592%0.92176%0.764SS**  trans-134.892.4164.1-86.6166000109.9
461S25.3Very low28.1Very low107 Ų107142.2 Ų142.275%0.74877%0.772SS**  trans-66.5123.317344.80000112.1
462I26.9Very low28.1Very low144 Ų144142 Ų14274%0.73877%0.773SS**  34.898.2129.5-48.9172.4000115.4
463K29.9Very low28.1Very low208 Ų208141.4 Ų141.490%0.90478%0.776SS**  trans-126.1115.5143.8-87.1-174.7178.1176.90109.5
464N25.1Very low28.1Very low138 Ų138143 Ų14374%0.73878%0.777SS**  trans-52.4137179.4-58.8-38.7000112
465N25.1Very low28.2Very low166 Ų166144.3 Ų144.389%0.88879%0.785SS**  trans-14788.2157.5-140.58.6000109.6
466P26.5Very low28.1Very low96 Ų96143.4 Ų143.462%0.62378%0.781SS**  trans-94.1117.316432.7-20.6000107.4
467D30.5Very low28.2Very low163 Ų163142.5 Ų142.587%0.87278%0.777SS**  trans-174.6145.1140.9-92.9-26.3000111.9
468N29.9Very low28.1Very low151 Ų151142.4 Ų142.481%0.80778%0.776SS**  trans90.873.3160.6-119.36.6000119.3
469N25.7Very low28.1Very low139 Ų139143.1 Ų143.174%0.74378%0.776SS**  trans-28.1159.2131.3-109.3-18.2000116.5
470N28.9Very low28Very low132 Ų132142.7 Ų142.771%0.70677%0.774SS**  trans94.4102161.8-53.8-26.8000116.3
471N31.7Very low28Very low157 Ų157142.5 Ų142.584%0.8477%0.773SS**  -172.412185.5-113.5-18.9000111.6
472I29.2Very low27.9Very low147 Ų147142 Ų14275%0.75477%0.769SS**  trans-74.1126.6164.3-67.9162.6000106.5
473N31.8Very low27.8Very low158 Ų158140.6 Ų140.685%0.84577%0.772SS**  trans-140.198.2153.8-136.22.6000109.9
474N27.1Very low27.6Very low123 Ų123135.9 Ų135.966%0.65877%0.765SS**  trans-62.7135160-82.6-26.8000108.5
475N32.7Very low27.5Very low160 Ų160138.4 Ų138.486%0.85678%0.775SS**  trans-150.3128140.8-100.5-21.6000111.3
476N26.9Very low27.6Very low132 Ų132137.7 Ų137.771%0.70677%0.771SS**  trans-77.7172.2178.8-62.3-44.2000111.6
477N29.5Very low27.4Very low146 Ų146142.5 Ų142.578%0.78178%0.782SS**  trans119.696.5158-61.1-9.8000111.1
478S24Very low27.1Very low93 Ų93139.6 Ų139.665%0.6578%0.775SS**  78.3125.771.980.20000113.8
479T28.4Very low26.7Very low113 Ų113137.7 Ų137.769%0.69377%0.773SS**  trans74.9109144.753.80000120.1
480D23.8Very low26.5Very low148 Ų148136.3 Ų136.379%0.79178%0.775SS**  62.497.8124.1-55.2-25000119.6
481I28.7Very low26.4Very low172 Ų172135.3 Ų135.388%0.88277%0.773SS**  trans-141.4125.4134.6-61.3-172.7000110.1
482S24.6Very low25.9Very low96 Ų96133.6 Ų133.667%0.67177%0.768SS**  trans-68.5146.3174.149.60000114.6
483S23.4Very low25.7Very low115 Ų115135.2 Ų135.280%0.80477%0.77SS**  trans49.1102.6141.166.10000119.4
484S26.6Very low25.2Very low109 Ų109134.4 Ų134.476%0.76277%0.765SS**  trans-139.1112.4143.463.10000109.2D486S484-D486 PolarHBondContact O-N 3.44Å
485M22.7Very low25.1Very low190 Ų190135.8 Ų135.894%0.93677%0.767SS**  trans-63.6120157.7-74.1-156.6172.800107.5
486D26.8Very low24.6Very low152 Ų152134.5 Ų134.581%0.81377%0.766SS**  trans-145.4140.7155.1-104.8-34.9000112.5S484S484-D486 PolarHBondContact O-N 3.44Å
487K23.4Very low24.5Very low196 Ų196134 Ų13485%0.85276%0.763SS**  trans-71.3137.1-177.6-62.3153172.2171.90109.1
488S24.2Very low24.1Very low103 Ų103132 Ų13272%0.7276%0.76SS**  trans173.5118.5131.8510000110.5
489S20.1Very low24Very low111 Ų111136 Ų13678%0.77677%0.773SS**  trans-4.1121.8139.853.90000116.2
490S22.1Very low23.7Very low110 Ų110135.1 Ų135.177%0.76977%0.772SS**  174.9152.3127.651.70000111.5
491V26.2Very low23.7Very low110 Ų110132.4 Ų132.467%0.66776%0.764SS**  trans81.388.1160.7-158.90000116K493V491-K493 HydrophobicContact CG1-CG 4.07Å; V491-K493 PolarHBondContact O-N 2.66Å
492V21.6Very low23.6Very low122 Ų122133.3 Ų133.374%0.73977%0.765SS**  trans-36.4105.3140.3178.20000109.3
493K25.4Very low23.7Very low181 Ų181134 Ų13479%0.78777%0.765SS**  trans-107.8104.2157-76.9-171.9177.2177.90106.3V491 E495V491-K493 HydrophobicContact CG1-CG 4.07Å; V491-K493 PolarHBondContact O-N 2.66Å; K493-E495 PolarHBondContact O-N 2.9Å
494D21.2Very low24.2Very low140 Ų140132.4 Ų132.475%0.74975%0.751SS**  trans-59.189.1164.8-73.5-42.5000108.3T496D494-T496 VanDerWaalsContact C-N 3.27Å; D494-T496 PolarHBondContact O-N 2.82Å
495E24.8Very low24.4Very low152 Ų152133.4 Ų133.471%0.7175%0.753SS**  trans-73.695.2159.4-75.3-168.1174.600107K493 N497K493-E495 PolarHBondContact O-N 2.9Å; E495-N497 PolarHBondContact O-N 2.84Å
496T22.9Very low25.2Very low134 Ų134128.4 Ų128.482%0.82273%0.729SS**  trans-57.371.8155.951.90000108.9D494 S498D494-T496 VanDerWaalsContact C-N 3.27Å; D494-T496 PolarHBondContact O-N 2.82Å; T496-S498 VanDerWaalsContact C-N 3.3Å; T496-S498 PolarHBondContact O-N 3.44Å
497N23.6Very low26Very low122 Ų122123.3 Ų123.365%0.65271%0.706SS**  trans-70.998.6166.8-90.2-39.3000106.3E495 L499E495-N497 PolarHBondContact O-N 2.84Å; N497-L499 PolarHBondContact O-N 2.99Å
498S22Very low27.1Very low102 Ų102120.7 Ų120.771%0.71370%0.7SS**  trans-30.5108.8164.751.10000109.5T496 S500T496-S498 VanDerWaalsContact C-N 3.3Å; T496-S498 PolarHBondContact O-N 3.44Å; S498-S500 PolarHBondContact O-N 2.83Å
499L22Very low28.4Very low177 Ų177120.8 Ų120.893%0.92770%0.697SS**  trans-67.275.4176.3-153.881.6000107.2N497 S501N497-L499 PolarHBondContact O-N 2.99Å; L499-S501 VanDerWaalsContact C-N 3.33Å; L499-S501 PolarHBondContact O-N 3.34Å
500S21.7Very low30.3Very low95 Ų95118.9 Ų118.966%0.66468%0.677SS**  trans-64.1103.4169.160.80000105.6S498 Q502S498-S500 PolarHBondContact O-N 2.83Å; S500-Q502 PolarHBondContact O-N 2.73Å
501S24.7Very low32.4Very low91 Ų91116.2 Ų116.264%0.63665%0.653SS**  trans-33.6110.4163.143.10000108.7L499 T503L499-S501 VanDerWaalsContact C-N 3.33Å; L499-S501 PolarHBondContact O-N 3.34Å; S501-T503 PolarHBondContact O-N 3.41Å; S501-T503 PolarHBondContact O-OG1 3.19Å
502Q26Very low34.6Very low191 Ų191112.4 Ų112.489%0.89363%0.631SS**  trans-6575.7173.5-71.9-177.1-2.700108.2S500 T504S500-Q502 PolarHBondContact O-N 2.73Å; Q502-T504 PolarHBondContact O-N 2.97Å
503T25.9Very low37.1Very low110 Ų110108 Ų10868%0.67560%0.604SS**  trans-70.7109.5162.7270000104.9S501 T505S501-T503 PolarHBondContact O-N 3.41Å; S501-T503 PolarHBondContact O-OG1 3.19Å; T503-T505 VanDerWaalsContact C-N 3.25Å; T503-T505 PolarHBondContact O-N 3.41Å
504T34.1Very low39.7Very low83 Ų83100.6 Ų100.651%0.50958%0.576SS.*  trans-5981-175.846.10000111.3Q502 L506Q502-T504 PolarHBondContact O-N 2.97Å; T504-L506 PolarHBondContact O-N 3.07Å
505T30.7Very low42.7Very low130 Ų13097 Ų9780%0.79855%0.552SS**  trans-69.9113.1150.253.10000105T503 S507T503-T505 VanDerWaalsContact C-N 3.25Å; T503-T505 PolarHBondContact O-N 3.41Å; T505-S507 PolarHBondContact O-N 3.43Å
506L39.7Very low45.5Very low85 Ų8597.4 Ų97.445%0.44555%0.547SS..  trans-54.9112.8176.2-86.9153.5000107.4T504 D510 Q511T504-L506 PolarHBondContact O-N 3.07Å; L506-D510 HydrophobicContact CD2-CB 3.67Å; L506-Q511 HydrophobicContact CB-CG 4.07Å; L506-Q511 PolarHBondContact O-NE2 2.64Å
507S45Very low48.6Very low45 Ų4592.3 Ų92.332%0.31551%0.514SS..  trans-52.5149.2177.371.10000109.6T505 T509 D510 Q511T505-S507 PolarHBondContact O-N 3.43Å; S507-T509 PolarHBondContact O-N 3.34Å; S507-T509 PolarHBondContact OG-OG1 3.34Å; S507-D510 PolarHBondContact N-OD2 2.92Å; S507-D510 PolarHBondContact O-N 3.07Å; S507-D510 PolarHBondContact OG-N 3.03Å; S507-D510 VanDerWaalsContact OG-N 3.15Å; S507-D510 PolarHBondContact OG-OD2 2.8Å; S507-Q511 PolarHBondContact O-N 2.61Å; S507-Q511 VanDerWaalsContact O-N 3.09Å
508L45.7Very low51.8Low141 Ų14187.4 Ų87.474%0.73849%0.487SS*.Hα-helixtrans-51.5-30.9175.8-82.7153.8000112.2S512L508-S512 PolarHBondContact O-N 2.9Å
509T51.7Low55Low105 Ų10583.3 Ų83.364%0.64446%0.458SS*.Hα-helixtrans-67.8-44.117439.50000113.2S507 Q511 S512 L513S507-T509 PolarHBondContact O-N 3.34Å; S507-T509 PolarHBondContact OG-OG1 3.34Å; T509-Q511 VanDerWaalsContact C-N 3.28Å; T509-Q511 PolarHBondContact O-N 2.93Å; T509-S512 PolarHBondContact O-N 3Å; T509-L513 WeakPolarHBondContact O-CB 3.48Å; T509-L513 PolarHBondContact O-N 3.25Å
510D59.4Low58.2Low70 Ų7077.6 Ų77.637%0.37443%0.433SS..Hα-helixtrans-65.3-35.9178.1-65.8-40.4000111.6L506 S507 L513 A514L506-D510 HydrophobicContact CD2-CB 3.67Å; S507-D510 PolarHBondContact N-OD2 2.92Å; S507-D510 PolarHBondContact O-N 3.07Å; S507-D510 PolarHBondContact OG-N 3.03Å; S507-D510 VanDerWaalsContact OG-N 3.15Å; S507-D510 PolarHBondContact OG-OD2 2.8Å; D510-L513 PolarHBondContact O-N 3.23Å; D510-A514 WeakPolarHBondContact O-CB 3.5Å; D510-A514 PolarHBondContact O-N 2.96Å
511Q67.4Low61.6Low55 Ų5573.2 Ų73.226%0.25740%0.403SS..Hα-helixtrans-62.5-49.5174.9-73.4-170.415.600112.4L506 S507 T509 L513 A514 R515 W622L506-Q511 HydrophobicContact CB-CG 4.07Å; L506-Q511 PolarHBondContact O-NE2 2.64Å; S507-Q511 PolarHBondContact O-N 2.61Å; S507-Q511 VanDerWaalsContact O-N 3.09Å; T509-Q511 VanDerWaalsContact C-N 3.28Å; T509-Q511 PolarHBondContact O-N 2.93Å; Q511-L513 PolarHBondContact O-N 3.14Å; Q511-A514 PolarHBondContact O-N 3.41Å; Q511-R515 PolarHBondContact O-N 3.38Å; Q511-R515 VanDerWaalsContact O-N 3.13Å; Q511-W622 HydrophobicContact CB-CZ2 4.07Å
512S71.3Confident64.8Low30 Ų3068.9 Ų68.921%0.2137%0.372CS..Hα-helixtrans-61.8-35.5176.9177.70000111.7L508 T509 R515 R516L508-S512 PolarHBondContact O-N 2.9Å; T509-S512 PolarHBondContact O-N 3Å; S512-R515 PolarHBondContact OG-NH2 3.03Å; S512-R516 WeakPolarHBondContact O-CG 3.22Å; S512-R516 PolarHBondContact O-N 2.68Å; S512-R516 VanDerWaalsContact O-N 3.1Å
513L75.2Confident67.8Low30 Ų3062.1 Ų62.116%0.15734%0.342CS..Hα-helixtrans-68.9-46.2178-179.669.1000112.4Q405 T509 D510 Q511 R515 R516 H517Q405-L513 HydrophobicContact CB-CD2 4.22Å; Q405-L513 HydrophobicContact CG-CD1 4.45Å; Q405-L513 HydrophobicContact CG-CD2 3.75Å; T509-L513 WeakPolarHBondContact O-CB 3.48Å; T509-L513 PolarHBondContact O-N 3.25Å; D510-L513 PolarHBondContact O-N 3.23Å; Q511-L513 PolarHBondContact O-N 3.14Å; L513-R515 VanDerWaalsContact C-N 3.29Å; L513-R515 PolarHBondContact O-N 3.23Å; L513-R516 PolarHBondContact O-N 3.42Å; L513-R516 VanDerWaalsContact O-N 3.13Å; L513-H517 WeakPolarHBondContact CD1-NE2 3.39Å; L513-H517 PolarHBondContact O-CD2 3.31Å; L513-H517 PolarHBondContact O-N 3.4Å
514A78.9Confident70.8Confident25 Ų2557.5 Ų57.521%0.20731%0.312CS..Hα-helixtrans-57.6-43.4175.700000111.4D510 Q511 R516 H517 L518D510-A514 WeakPolarHBondContact O-CB 3.5Å; D510-A514 PolarHBondContact O-N 2.96Å; Q511-A514 PolarHBondContact O-N 3.41Å; A514-R516 PolarHBondContact O-N 2.77Å; A514-H517 PolarHBondContact O-N 3.49Å; A514-L518 WeakPolarHBondContact O-CG 3.28Å; A514-L518 PolarHBondContact O-N 3.22Å
515R84.1Confident73.5Confident63 Ų6353.5 Ų53.524%0.23829%0.288CS..Hα-helixtrans-56.8-48.6172.9176.9-175.860.5179-2.6112.2Q511 S512 L513 H517 L518 C519 L619 W622 F639Q511-R515 PolarHBondContact O-N 3.38Å; Q511-R515 VanDerWaalsContact O-N 3.13Å; S512-R515 PolarHBondContact OG-NH2 3.03Å; L513-R515 VanDerWaalsContact C-N 3.29Å; L513-R515 PolarHBondContact O-N 3.23Å; R515-H517 VanDerWaalsContact C-N 3.31Å; R515-H517 PolarHBondContact O-N 3.04Å; R515-L518 PolarHBondContact O-N 3.16Å; R515-C519 PolarHBondContact O-N 3.49Å; R515-C519 PolarHBondContact O-SG 3.15Å; R515-L619 HydrophobicContact CG-CD1 4.03Å; R515-W622 HydrophobicContact CB-CH2 4.44Å; R515-W622 HydrophobicContact CB-CZ3 4.43Å; R515-W622 HydrophobicContact CG-CZ3 4.39Å; R515-F639 HydrophobicContact CG-CD1 4.25Å; R515-F639 HydrophobicContact CG-CE1 4.09Å
516R83.9Confident76.4Confident162 Ų16250 Ų5061%0.61126%0.26SS*.Hα-helixtrans-59.5-43177.5-72.9177.9-171.3172.73.7111.3S512 L513 A514 L518 C519 S520S512-R516 WeakPolarHBondContact O-CG 3.22Å; S512-R516 PolarHBondContact O-N 2.68Å; S512-R516 VanDerWaalsContact O-N 3.1Å; L513-R516 PolarHBondContact O-N 3.42Å; L513-R516 VanDerWaalsContact O-N 3.13Å; A514-R516 PolarHBondContact O-N 2.77Å; R516-L518 PolarHBondContact O-N 2.9Å; R516-C519 PolarHBondContact O-N 2.87Å; R516-S520 PolarHBondContact O-N 3.34Å; R516-S520 PolarHBondContact O-OG 3.13Å; R516-S520 VanDerWaalsContact O-OG 3.11Å
517H87.4Confident78.5Confident27 Ų2753 Ų5313%0.12527%0.266CS..Hα-helixtrans-63-40.7177.8-75-49.2000113.3V408 L513 A514 R515 S520 T521V408-H517 HydrophobicContact CG1-CB 4.02Å; V408-H517 WeakPolarHBondContact CG1-ND1 3.42Å; L513-H517 WeakPolarHBondContact CD1-NE2 3.39Å; L513-H517 PolarHBondContact O-CD2 3.31Å; L513-H517 PolarHBondContact O-N 3.4Å; A514-H517 PolarHBondContact O-N 3.49Å; R515-H517 VanDerWaalsContact C-N 3.31Å; R515-H517 PolarHBondContact O-N 3.04Å; H517-S520 PolarHBondContact O-N 3.34Å; H517-T521 VanDerWaalsContact O-CB 3.31Å; H517-T521 WeakPolarHBondContact O-CB 3.27Å; H517-T521 PolarHBondContact O-N 3.27Å; H517-T521 PolarHBondContact O-OG1 3.39Å
518L90.1Very high80.3Confident19 Ų1953.5 Ų53.510%0.09926%0.263CS..Hα-helixtrans-63.1-44.3174.2-70.9174.4000111.4I433 A514 R515 R516 T521 I522 A615 A618 L619I433-L518 HydrophobicContact CG1-CD2 4.37Å; A514-L518 WeakPolarHBondContact O-CG 3.28Å; A514-L518 PolarHBondContact O-N 3.22Å; R515-L518 PolarHBondContact O-N 3.16Å; R516-L518 PolarHBondContact O-N 2.9Å; L518-T521 WeakPolarHBondContact O-CB 3.46Å; L518-T521 PolarHBondContact O-N 3.47Å; L518-I522 WeakPolarHBondContact O-CG1 3.27Å; L518-I522 PolarHBondContact O-N 2.97Å; L518-A615 HydrophobicContact CD2-CB 4.27Å; L518-A618 HydrophobicContact CD1-CB 3.97Å; L518-A618 HydrophobicContact CD2-CB 3.87Å; L518-L619 HydrophobicContact CB-CB 4.46Å; L518-L619 HydrophobicContact CB-CD1 4.11Å; L518-L619 HydrophobicContact CD1-CB 4.2Å; L518-L619 HydrophobicContact CD1-CD1 4.11Å
519C90.5Very high82.2Confident15 Ų1547.7 Ų47.710%0.10123%0.232CC..Hα-helixtrans-61.1-48176.4-61.10000111.6R515 R516 T521 I522 I523 F639 F644R515-C519 PolarHBondContact O-N 3.49Å; R515-C519 PolarHBondContact O-SG 3.15Å; R516-C519 PolarHBondContact O-N 2.87Å; C519-T521 VanDerWaalsContact C-N 3.26Å; C519-T521 PolarHBondContact O-N 3.03Å; C519-I522 PolarHBondContact O-N 2.97Å; C519-I523 WeakPolarHBondContact O-CG1 3.2Å; C519-I523 PolarHBondContact O-N 3.13Å; C519-I523 VanDerWaalsContact O-N 3.07Å; C519-F639 WeakPolarHBondContact SG-CZ 3.34Å; C519-F644 HydrophobicContact CB-CE1 3.86Å; C519-F644 HydrophobicContact CB-CE2 4.4Å; C519-F644 HydrophobicContact CB-CZ 3.71Å
520S89.7Confident83.2Confident57 Ų5744.6 Ų44.640%0.39921%0.211SC..Hα-helixtrans-61.2-35.3175.9-60.60000112.4R516 H517 I523 F524R516-S520 PolarHBondContact O-N 3.34Å; R516-S520 PolarHBondContact O-OG 3.13Å; R516-S520 VanDerWaalsContact O-OG 3.11Å; H517-S520 PolarHBondContact O-N 3.34Å; S520-I523 PolarHBondContact O-N 3.13Å; S520-F524 VanDerWaalsContact O-CB 3.26Å; S520-F524 WeakPolarHBondContact O-CB 3.43Å; S520-F524 PolarHBondContact O-N 3.3Å
521T91.5Very high83.3Confident4 Ų444.3 Ų44.33%0.02521%0.214CC..Hα-helixtrans-67.5-41.7176.7-61.60000112.2V429 I433 H517 L518 C519 F524 A525 V611 A615V429-T521 HydrophobicContact CG1-CG2 3.33Å; I433-T521 HydrophobicContact CD1-CG2 3.8Å; H517-T521 VanDerWaalsContact O-CB 3.31Å; H517-T521 WeakPolarHBondContact O-CB 3.27Å; H517-T521 PolarHBondContact O-N 3.27Å; H517-T521 PolarHBondContact O-OG1 3.39Å; L518-T521 WeakPolarHBondContact O-CB 3.46Å; L518-T521 PolarHBondContact O-N 3.47Å; C519-T521 VanDerWaalsContact C-N 3.26Å; C519-T521 PolarHBondContact O-N 3.03Å; T521-F524 PolarHBondContact O-N 3.22Å; T521-A525 WeakPolarHBondContact O-CB 3.46Å; T521-A525 PolarHBondContact O-N 2.96Å; T521-V611 HydrophobicContact CG2-CG1 3.46Å; T521-V611 VanDerWaalsContact CG2-CG1 3.46Å; T521-A615 HydrophobicContact CG2-CB 3.98Å
522I92.8Very high82.5Confident0 Ų044.2 Ų44.20%021%0.214CC..Hα-helixtrans-60.5-48.3175.6-70166.3000109.7L518 C519 F524 A525 R526 F612 A615 A616 L619 F644 I645 E648L518-I522 WeakPolarHBondContact O-CG1 3.27Å; L518-I522 PolarHBondContact O-N 2.97Å; C519-I522 PolarHBondContact O-N 2.97Å; I522-F524 VanDerWaalsContact C-N 3.34Å; I522-F524 PolarHBondContact O-N 2.97Å; I522-A525 PolarHBondContact O-N 3.22Å; I522-R526 WeakPolarHBondContact O-CB 3.24Å; I522-R526 PolarHBondContact O-N 3.39Å; I522-F612 HydrophobicContact CG2-CD2 3.93Å; I522-F612 HydrophobicContact CG2-CE2 3.44Å; I522-F612 VanDerWaalsContact CG2-CE2 3.44Å; I522-F612 HydrophobicContact CG2-CZ 3.85Å; I522-A615 HydrophobicContact CD1-CB 4.39Å; I522-A615 HydrophobicContact CG1-CB 3.71Å; I522-A616 HydrophobicContact CD1-CB 4.37Å; I522-L619 HydrophobicContact CD1-CD2 3.93Å; I522-F644 HydrophobicContact CB-CE1 4.29Å; I522-F644 HydrophobicContact CD1-CE1 4.06Å; I522-F644 HydrophobicContact CG2-CE1 4.2Å; I522-I645 HydrophobicContact CD1-CG1 4.21Å; I522-E648 HydrophobicContact CG2-CB 4.07Å; I522-E648 HydrophobicContact CG2-CG 4.04Å
523I89.5Confident81.5Confident48 Ų4851.6 Ų51.625%0.24624%0.239CC..Hα-helixtrans-60.6-44.5177.3-65.3164.4000110.9C519 S520 R526 R527 F644C519-I523 WeakPolarHBondContact O-CG1 3.2Å; C519-I523 PolarHBondContact O-N 3.13Å; C519-I523 VanDerWaalsContact O-N 3.07Å; S520-I523 PolarHBondContact O-N 3.13Å; I523-R526 PolarHBondContact O-N 3.41Å; I523-R527 WeakPolarHBondContact O-CG 3.1Å; I523-R527 PolarHBondContact O-N 2.82Å; I523-R527 VanDerWaalsContact O-N 3.16Å; I523-F644 HydrophobicContact CD1-CE2 4.36Å; I523-F644 HydrophobicContact CD1-CZ 4.03Å; I523-F644 HydrophobicContact CG1-CZ 4.06Å
524F89.1Confident80.2Confident13 Ų1352.7 Ų52.76%0.05725%0.248CC..Hα-helixtrans-61.3-50.9178.3176.9-105.7000111.7L412 F417 L422 R425 L426 S520 T521 I522 R526 R527 H528L412-F524 HydrophobicContact CD2-CB 3.67Å; L412-F524 HydrophobicContact CD2-CD1 3.58Å; L412-F524 HydrophobicContact CD2-CD2 4.18Å; L412-F524 HydrophobicContact CD2-CE1 4.26Å; L412-F524 HydrophobicContact CD2-CG 3.53Å; F417-F524 HydrophobicContact CE2-CE2 4.03Å; F417-F524 HydrophobicContact CE2-CZ 4.42Å; L422-F524 HydrophobicContact CD1-CE1 4.48Å; L422-F524 HydrophobicContact CD1-CZ 3.93Å; R425-F524 HydrophobicContact CB-CZ 4.28Å; L426-F524 HydrophobicContact CD2-CD1 4.06Å; L426-F524 HydrophobicContact CD2-CE1 3.64Å; L426-F524 HydrophobicContact CG-CE1 4.14Å; S520-F524 VanDerWaalsContact O-CB 3.26Å; S520-F524 WeakPolarHBondContact O-CB 3.43Å; S520-F524 PolarHBondContact O-N 3.3Å; T521-F524 PolarHBondContact O-N 3.22Å; I522-F524 VanDerWaalsContact C-N 3.34Å; I522-F524 PolarHBondContact O-N 2.97Å; F524-R526 VanDerWaalsContact C-N 3.31Å; F524-R526 PolarHBondContact O-N 2.84Å; F524-R527 PolarHBondContact O-N 2.99Å; F524-H528 AromaticContact CE2-CD2 3.87Å; F524-H528 AromaticContact CE2-NE2 3.55Å; F524-H528 AromaticContact CZ-NE2 3.99Å; F524-H528 PolarHBondContact O-CD2 3.24Å
525A90.7Very high78.3Confident0 Ų058.9 Ų58.90%027%0.27CS..Hα-helixtrans-60-42.6177.900000111.5T521 I522 R527 H528 L529 V611 F612T521-A525 WeakPolarHBondContact O-CB 3.46Å; T521-A525 PolarHBondContact O-N 2.96Å; I522-A525 PolarHBondContact O-N 3.22Å; A525-R527 VanDerWaalsContact C-N 3.35Å; A525-R527 PolarHBondContact O-N 3.02Å; A525-H528 PolarHBondContact O-N 2.7Å; A525-H528 VanDerWaalsContact O-N 3.11Å; A525-L529 PolarHBondContact O-N 3.4Å; A525-V611 HydrophobicContact CB-CB 4.25Å; A525-V611 HydrophobicContact CB-CG1 3.96Å; A525-F612 HydrophobicContact CB-CB 4.04Å; A525-F612 HydrophobicContact CB-CD2 4.44Å
526R90.4Very high76.2Confident55 Ų5560.9 Ų60.921%0.20829%0.291CS..Hα-helixtrans-57.1-44.6178.9-170.9-172.157.885.3-0.1112.7I522 I523 F524 H528 L529 F612 E648 L652I522-R526 WeakPolarHBondContact O-CB 3.24Å; I522-R526 PolarHBondContact O-N 3.39Å; I523-R526 PolarHBondContact O-N 3.41Å; F524-R526 VanDerWaalsContact C-N 3.31Å; F524-R526 PolarHBondContact O-N 2.84Å; R526-H528 PolarHBondContact O-N 3.36Å; R526-H528 VanDerWaalsContact O-N 3.08Å; R526-L529 WeakPolarHBondContact O-CB 3.23Å; R526-L529 PolarHBondContact O-N 3.39Å; R526-L529 VanDerWaalsContact O-N 3.1Å; R526-F612 HydrophobicContact CB-CD2 4.31Å; R526-F612 HydrophobicContact CB-CE2 4.12Å; R526-E648 VanDerWaalsContact CD-O 3.27Å; R526-E648 WeakPolarHBondContact CD-O 3.38Å; R526-E648 VanDerWaalsContact CD-OE2 3.32Å; R526-E648 WeakPolarHBondContact CD-OE2 3.3Å; R526-E648 IonicContact CZ-OE2 3.97Å; R526-E648 IonicContact NE-OE2 2.67Å; R526-E648 PolarHBondContact NE-OE2 3.39Å; R526-E648 IonicContact NH2-OE2 2.72Å; R526-L652 HydrophobicContact CG-CD2 3.72Å; R526-L652 HydrophobicContact CG-CG 4.43Å
527R84.8Confident74Confident150 Ų15060.9 Ų60.957%0.56630%0.304SS*.Hα-helixtrans-61-17.6-179.9-73.2174.2178.8-176.6-1.1113.7I523 F524 A525I523-R527 WeakPolarHBondContact O-CG 3.1Å; I523-R527 PolarHBondContact O-N 2.82Å; I523-R527 VanDerWaalsContact O-N 3.16Å; F524-R527 PolarHBondContact O-N 2.99Å; A525-R527 VanDerWaalsContact C-N 3.35Å; A525-R527 PolarHBondContact O-N 3.02Å
528H82.5Confident71.5Confident55 Ų5564.8 Ų64.826%0.25533%0.325SS..THydrogen-bonded Turntrans-111.916.9-179.2-61.9-62.3000112.9L422 F524 A525 R526 A608L422-H528 HydrophobicContact CD1-CB 4.23Å; L422-H528 VanDerWaalsContact CD1-CD2 3.41Å; L422-H528 WeakPolarHBondContact CD1-CD2 3.29Å; L422-H528 HydrophobicContact CD2-CB 4.1Å; F524-H528 AromaticContact CE2-CD2 3.87Å; F524-H528 AromaticContact CE2-NE2 3.55Å; F524-H528 AromaticContact CZ-NE2 3.99Å; F524-H528 PolarHBondContact O-CD2 3.24Å; A525-H528 PolarHBondContact O-N 2.7Å; A525-H528 VanDerWaalsContact O-N 3.11Å; R526-H528 PolarHBondContact O-N 3.36Å; R526-H528 VanDerWaalsContact O-N 3.08Å; H528-A608 HydrophobicContact CB-CB 4.49Å
529L85Confident68.8Low19 Ų1967.2 Ų67.210%0.09934%0.337CS..PPolyproline II helixtrans-85.4123.7171.4-66.5174.6000110.7A525 R526 N605 A608 R609 L652 L656 F660A525-L529 PolarHBondContact O-N 3.4Å; R526-L529 WeakPolarHBondContact O-CB 3.23Å; R526-L529 PolarHBondContact O-N 3.39Å; R526-L529 VanDerWaalsContact O-N 3.1Å; L529-N605 WeakPolarHBondContact CA-ND2 3.38Å; L529-A608 HydrophobicContact CD2-CB 3.93Å; L529-R609 HydrophobicContact CD2-CB 4.32Å; L529-R609 HydrophobicContact CD2-CG 3.45Å; L529-R609 VanDerWaalsContact CD2-CG 3.45Å; L529-L652 HydrophobicContact CB-CD2 4.45Å; L529-L652 HydrophobicContact CD1-CD1 4.04Å; L529-L652 HydrophobicContact CD1-CD2 3.84Å; L529-L656 HydrophobicContact CB-CD2 4.15Å; L529-L656 HydrophobicContact CD1-CD2 4.33Å; L529-F660 HydrophobicContact CD1-CE2 3.6Å; L529-F660 HydrophobicContact CD1-CZ 3.63Å; L529-F660 HydrophobicContact CD2-CZ 4.13Å
530L72.7Confident65.9Low39 Ų3971.8 Ų71.820%0.20436%0.364CS..PPolyproline II helixtrans-84.1145.6164-62.9171.4000110C542 Q601 N605L530-C542 HydrophobicContact CD2-CB 3.85Å; L530-Q601 HydrophobicContact CD1-CB 4.17Å; L530-N605 HydrophobicContact CD1-CB 4.23Å; L530-N605 HydrophobicContact CG-CB 4.49Å; L530-N605 PolarHBondContact N-ND2 3.23Å
531P62.1Low63Low65 Ų6572.6 Ų72.642%0.42236%0.363SS..PPolyproline II helixtrans-54.9156172.5-23.333000112.7Y533P531-Y533 VanDerWaalsContact C-N 3.29Å; P531-Y533 PolarHBondContact O-N 2.85Å
532L50.4Low60.1Low52 Ų5276 Ų7627%0.27239%0.386SS..SBendtrans-66-31177.5-81.8166.5000113.5P655 L656 W659L532-P655 HydrophobicContact CD1-CB 3.98Å; L532-L656 HydrophobicContact CD1-CB 4.22Å; L532-L656 HydrophobicContact CD1-CD1 4.26Å; L532-L656 HydrophobicContact CD2-CD1 4.46Å; L532-L656 HydrophobicContact CG-CB 4.38Å; L532-L656 HydrophobicContact CG-CD1 4Å; L532-W659 HydrophobicContact CD1-CB 4.31Å
533Y49.4Very low56.9Low186 Ų18679.4 Ų79.473%0.72940%0.401SS*.SBendtrans-129.385.2-177.9-57.7-82.8000108.8P531 K535P531-Y533 VanDerWaalsContact C-N 3.29Å; P531-Y533 PolarHBondContact O-N 2.85Å; Y533-K535 PolarHBondContact O-N 2.85Å; Y533-K535 VanDerWaalsContact O-N 3.12Å
534P48Very low54Low52 Ų5280.6 Ų80.634%0.33841%0.412SS..  trans-63.3115.9170.225.9-30.3000107.8M539P534-M539 HydrophobicContact CB-CE 4.12Å; P534-M539 HydrophobicContact CG-CE 4.11Å
535K38.9Very low50.8Low155 Ų15590.4 Ų90.467%0.67445%0.45SS*.  trans-61.4136.9166.5-70.8-177.6177.5-176.80107.5Y533 D537 N538 M539Y533-K535 PolarHBondContact O-N 2.85Å; Y533-K535 VanDerWaalsContact O-N 3.12Å; K535-D537 VanDerWaalsContact C-N 3.29Å; K535-D537 PolarHBondContact O-N 3.49Å; K535-N538 HydrophobicContact CB-CB 3.96Å; K535-N538 CarbonylContact O-C 3.57Å; K535-N538 WeakPolarHBondContact O-CA 3.38Å; K535-N538 PolarHBondContact O-N 3.35Å; K535-M539 PolarHBondContact O-N 3.36Å
536P41.7Very low47.6Very low106 Ų10698.5 Ų98.569%0.68849%0.487SS*.G310 helixtrans-55.2-45.4-178.218.5-28.9000111.8N538 M539P536-N538 PolarHBondContact O-N 3Å; P536-M539 PolarHBondContact O-N 2.91Å
537D37.7Very low44.3Very low162 Ų162103.6 Ų103.687%0.86651%0.508SS*.G310 helixtrans-69.2-16.1179.6-50.7-19.8000113.6K535K535-D537 VanDerWaalsContact C-N 3.29Å; K535-D537 PolarHBondContact O-N 3.49Å
538N34.8Very low41.3Very low108 Ų108105.2 Ų105.258%0.57852%0.522SS*.G310 helixtrans-111.925.4-178.5-127.818.3000111.6K535 P536 T540K535-N538 HydrophobicContact CB-CB 3.96Å; K535-N538 CarbonylContact O-C 3.57Å; K535-N538 WeakPolarHBondContact O-CA 3.38Å; K535-N538 PolarHBondContact O-N 3.35Å; P536-N538 PolarHBondContact O-N 3Å; N538-T540 PolarHBondContact O-N 3.3Å; N538-T540 PolarHBondContact O-OG1 3.31Å; N538-T540 VanDerWaalsContact O-OG1 3.11Å
539M32.2Very low38.4Very low71 Ų71110.1 Ų110.135%0.3555%0.549SS..  trans-64.748.3157.4-84-82-173.700110.2P534 K535 P536 M541P534-M539 HydrophobicContact CB-CE 4.12Å; P534-M539 HydrophobicContact CG-CE 4.11Å; K535-M539 PolarHBondContact O-N 3.36Å; P536-M539 PolarHBondContact O-N 2.91Å; M539-M541 PolarHBondContact O-N 3.03Å; M539-M541 HydrophobicContact SD-SD 4.35Å
540T30.7Very low35.3Very low110 Ų110117.7 Ų117.768%0.67558%0.584SS**  trans-57.988149.824.60000106.4N538 C542N538-T540 PolarHBondContact O-N 3.3Å; N538-T540 PolarHBondContact O-OG1 3.31Å; N538-T540 VanDerWaalsContact O-OG1 3.11Å; T540-C542 PolarHBondContact O-N 3.24Å
541M28.4Very low32.9Very low74 Ų74121.4 Ų121.437%0.36561%0.613SS.*  trans-44.7112.5170-62.8-63.7-143.600106.1M539 F543 Y597M539-M541 PolarHBondContact O-N 3.03Å; M539-M541 HydrophobicContact SD-SD 4.35Å; M541-F543 PolarHBondContact O-N 2.86Å; M541-Y597 HydrophobicContact CE-CD1 3.54Å; M541-Y597 HydrophobicContact CE-CE1 3.39Å; M541-Y597 HydrophobicContact CG-CE1 4.29Å; M541-Y597 HydrophobicContact SD-CD1 4.17Å; M541-Y597 HydrophobicContact SD-CE1 3.49Å; M541-Y597 WeakPolarHBondContact SD-CE1 3.36Å
542C30.7Very low31Very low76 Ų76123.8 Ų123.851%0.51463%0.627SS.*  trans-7368.5-175.8-163.90000109.4L530 T540L530-C542 HydrophobicContact CD2-CB 3.85Å; T540-C542 PolarHBondContact O-N 3.24Å
543F25.7Very low29.6Very low72 Ų72128 Ų12832%0.31665%0.65SS.*SBendtrans-79.4141.1141.2-84.5-77000106.9M541 Y545 Y597M541-F543 PolarHBondContact O-N 2.86Å; F543-Y545 PolarHBondContact O-N 3.16Å; F543-Y597 HydrophobicContact CE2-CE2 4.14Å; F543-Y597 WeakPolarHBondContact CE2-OH 3.29Å
544P27.6Very low28.4Very low73 Ų73124.7 Ų124.747%0.47465%0.649SS.*SBendtrans-55.2114.717421.6-30.1000108.7K416 H546K416-P544 HydrophobicContact CD-CG 4.14Å; K416-P544 HydrophobicContact CG-CG 3.96Å; P544-H546 PolarHBondContact O-N 3.11Å
545Y23.1Very low27.2Very low219 Ų219131.1 Ų131.186%0.85967%0.674SS**SBendtrans10.2100168-76.7-96000113.8F543F543-Y545 PolarHBondContact O-N 3.16Å
546H23.1Very low26.4Very low169 Ų169130.2 Ų130.278%0.78269%0.685SS**  trans171.37.1146.4-96.7-65000115.5P544 Q548P544-H546 PolarHBondContact O-N 3.11Å; H546-Q548 PolarHBondContact O-N 2.82Å
547Y22Very low25.4Very low163 Ų163127.8 Ų127.864%0.63968%0.68SS**  trans-97.581.8166-77.8-84.3000109.7L549Y547-L549 PolarHBondContact O-N 2.72Å
548Q20.9Very low24.6Very low184 Ų184127.5 Ų127.586%0.8668%0.678SS**  trans-75.694.9161-85.4174.9-34.400107.3H546 Q550H546-Q548 PolarHBondContact O-N 2.82Å; Q548-Q550 PolarHBondContact O-N 3.29Å
549L21.7Very low24Very low158 Ų158131.3 Ų131.383%0.82769%0.69SS**  trans-72.9105.4155-90.1135.2000105.8Y547 S551Y547-L549 PolarHBondContact O-N 2.72Å; L549-S551 VanDerWaalsContact C-N 3.35Å; L549-S551 PolarHBondContact O-N 3.46Å
550Q20.3Very low23.4Very low178 Ų178138.1 Ų138.183%0.83272%0.718SS**  trans-63.6100.1166.6-81.9178.2-23.400107.4Q548 T552Q548-Q550 PolarHBondContact O-N 3.29Å; Q550-T552 PolarHBondContact O-N 3.38Å
551S21.4Very low22.9Very low117 Ų117137.1 Ų137.182%0.81872%0.716SS**  trans-70.9103.5165.854.90000107.8L549L549-S551 VanDerWaalsContact C-N 3.35Å; L549-S551 PolarHBondContact O-N 3.46Å
552T21.9Very low22.6Very low115 Ų115144.5 Ų144.571%0.70674%0.739SS**  trans-73.8123.5164.448.60000109Q550Q550-T552 PolarHBondContact O-N 3.38Å
553D22.2Very low22.1Very low141 Ų141148 Ų14875%0.75475%0.753SS**  trans66.2108.5145.9-58.3-26.1000120.7
554T23Very low22.1Very low115 Ų115149.1 Ų149.171%0.70677%0.767SS**  35.3130.912758.90000120.1
555H23.4Very low22Very low188 Ų188151 Ų15187%0.8778%0.779SS**  trans94.272165.3-59.6-72000117.1
556C21.5Very low22.2Very low135 Ų135146.2 Ų146.291%0.91278%0.778SS**  trans-143.793.4140-160.10000109
557G20.8Very low22.3Very low56 Ų56140.3 Ų140.358%0.57776%0.755SS**  trans-80.5146.817700000112.5
558D21Very low22.5Very low155 Ų155138.1 Ų138.183%0.82975%0.754SS**  trans59.856.1136.5-62-21000120.3
559F21.6Very low22.9Very low189 Ų189133.3 Ų133.383%0.82974%0.741SS**SBendtrans-127.1-0.5162.9-104.7-83.2000118.3
560F20.4Very low23.1Very low213 Ų213129.3 Ų129.393%0.93473%0.726SS**  trans-131.746.6176.4-70.4-78.8000113.4
561S20.4Very low23.4Very low90 Ų90122.7 Ų122.763%0.62970%0.702SS**  trans-92132157.5740000107.7
562R21.5Very low23.6Very low228 Ų228123.2 Ų123.286%0.8669%0.693SS**  trans84.791.2-179.7-45.7165-168.9-141.70.9114.5
563L21.2Very low23.8Very low151 Ų151126.4 Ų126.479%0.79169%0.692SS**  trans-168.8126.1136.1-96.8147.1000110.6
564P25.4Very low24Very low94 Ų94124.1 Ų124.161%0.6168%0.683SS**  trans-75.7157.5175.729.4-32.1000112.6S566P564-S566 VanDerWaalsContact C-N 3.29Å; P564-S566 PolarHBondContact O-N 2.76Å
565P25.3Very low24.2Very low113 Ų113124.3 Ų124.373%0.73468%0.678SS**THydrogen-bonded Turntrans-8110.5-157.432.2-35.7000116.1S567P565-S567 VanDerWaalsContact C-N 3.32Å; P565-S567 PolarHBondContact O-N 3.37Å
566S26.4Very low24.2Very low119 Ų119124.7 Ų124.783%0.83268%0.678SS**THydrogen-bonded Turntrans-82.7-2.5178.7560000114.4P564P564-S566 VanDerWaalsContact C-N 3.29Å; P564-S566 PolarHBondContact O-N 2.76Å
567S26.3Very low24.4Very low44 Ų44122.1 Ų122.131%0.30867%0.666SS.*SBendtrans-115.5-2.3-17759.90000115.9P565 S569 S570 A571P565-S567 VanDerWaalsContact C-N 3.32Å; P565-S567 PolarHBondContact O-N 3.37Å; S567-S569 VanDerWaalsContact C-N 3.31Å; S567-S569 PolarHBondContact O-N 3.48Å; S567-S570 PolarHBondContact O-N 3.1Å; S567-A571 PolarHBondContact O-N 3.28Å
568L26.2Very low24.6Very low117 Ų117124.8 Ų124.861%0.61367%0.671SS**Hα-helixtrans-64.1-29-175.3-91.9146.4000114.3S570 M572L568-S570 VanDerWaalsContact C-N 3.34Å; L568-M572 PolarHBondContact O-N 2.92Å
569S29.3Very low24.7Very low84 Ų84121.8 Ų121.859%0.58766%0.659SS**Hα-helixtrans-72.3-25.7173.6156.50000113.4S567S567-S569 VanDerWaalsContact C-N 3.31Å; S567-S569 PolarHBondContact O-N 3.48Å
570S26.4Very low24.9Very low73 Ų73118.6 Ų118.651%0.5166%0.655SS.*Hα-helixtrans-89.2-37.8174.8-89.50000111.9S567 L568 M572 R573 T574S567-S570 PolarHBondContact O-N 3.1Å; L568-S570 VanDerWaalsContact C-N 3.34Å; S570-M572 VanDerWaalsContact C-N 3.3Å; S570-M572 PolarHBondContact O-N 3.39Å; S570-R573 WeakPolarHBondContact O-CA 3.39Å; S570-R573 PolarHBondContact O-N 2.9Å; S570-T574 PolarHBondContact O-N 3.12Å; S570-T574 PolarHBondContact O-OG1 2.8Å
571A25.8Very low25.3Very low39 Ų39114.3 Ų114.332%0.32265%0.646SS.*Hα-helixtrans-61.5-36.5-179.600000112.7S567 R573 T574 I575S567-A571 PolarHBondContact O-N 3.28Å; A571-R573 PolarHBondContact O-N 3.38Å; A571-T574 PolarHBondContact O-N 2.9Å; A571-T574 VanDerWaalsContact O-N 3.15Å; A571-I575 WeakPolarHBondContact O-CG1 3.2Å; A571-I575 PolarHBondContact O-N 3.34Å
572M24.8Very low25.7Very low129 Ų129114.8 Ų114.864%0.63566%0.655SS**Hα-helixtrans-67.7-21.6173.9-78.1-128.3161.800113.8L568 S570L568-M572 PolarHBondContact O-N 2.92Å; S570-M572 VanDerWaalsContact C-N 3.3Å; S570-M572 PolarHBondContact O-N 3.39Å
573R26.7Very low25.9Very low182 Ų182111 Ų11169%0.68765%0.652SS**Hα-helixtrans-83.5-29.8170.5-82.9-175.7-88.1-154.6-5.1112.5S570 A571S570-R573 WeakPolarHBondContact O-CA 3.39Å; S570-R573 PolarHBondContact O-N 2.9Å; A571-R573 PolarHBondContact O-N 3.38Å
574T27.4Very low26.1Very low92 Ų92108.1 Ų108.156%0.56464%0.635SS**Hα-helixtrans-79.6-29.3-178.6-35.30000113.4S570 A571 K576 A577S570-T574 PolarHBondContact O-N 3.12Å; S570-T574 PolarHBondContact O-OG1 2.8Å; A571-T574 PolarHBondContact O-N 2.9Å; A571-T574 VanDerWaalsContact O-N 3.15Å; T574-K576 PolarHBondContact O-N 3.4Å; T574-A577 PolarHBondContact O-N 3.24Å
575I25.8Very low26.3Very low119 Ų119111.4 Ų111.461%0.6164%0.642SS**G310 helixtrans-67-22.5177.1-66169.6000111.6A571 A577A571-I575 WeakPolarHBondContact O-CG1 3.2Å; A571-I575 PolarHBondContact O-N 3.34Å; I575-A577 PolarHBondContact O-N 2.95Å; I575-A577 VanDerWaalsContact O-N 3.1Å
576K24.6Very low26.4Very low196 Ų196114.4 Ų114.485%0.85265%0.646SS**G310 helixtrans-69.4-6.1177-132.1176.2-173.3179.20114.5T574T574-K576 PolarHBondContact O-N 3.4Å
577A24.9Very low26.4Very low81 Ų81115 Ų11567%0.66964%0.636SS**G310 helixtrans-111.4-0.3-172.300000115.6T574 I575T574-A577 PolarHBondContact O-N 3.24Å; I575-A577 PolarHBondContact O-N 2.95Å; I575-A577 VanDerWaalsContact O-N 3.1Å
578T25.9Very low26.5Very low112 Ų112117.3 Ų117.369%0.68764%0.641SS**SBendtrans-129.65.8-169.447.20000118
579T23.5Very low26.8Very low92 Ų92117 Ų11756%0.56464%0.64SS**  trans-120.194.5172.5550000111.5Q584T579-Q584 PolarHBondContact OG1-NE2 3.07Å
580T25.3Very low26.8Very low123 Ų123118.9 Ų118.976%0.75564%0.64SS**  trans-63.6161.615843.20000110.5
581T28.3Very low27Very low123 Ų123120.7 Ų120.776%0.75564%0.643SS**SBendtrans84.786.5168.170.70000118.9D583T581-D583 PolarHBondContact O-N 3.18Å
582A28.4Very low27.6Very low99 Ų99123.6 Ų123.682%0.81865%0.653SS**SBend56.4-17.2128.200000124.3
583D25.4Very low28.5Very low149 Ų149121.2 Ų121.280%0.79764%0.643SS**  trans-105.118.7-174.5-75.2-28.2000115.6T581T581-D583 PolarHBondContact O-N 3.18Å
584Q26.2Very low29.6Very low90 Ų90116.4 Ų116.442%0.42163%0.634SS.*  trans-94.50.9-168.3-70.4-167.61.800117.5T579 Q586 Q588T579-Q584 PolarHBondContact OG1-NE2 3.07Å; Q584-Q586 VanDerWaalsContact C-N 3.34Å; Q584-Q586 PolarHBondContact O-N 3.13Å; Q584-Q588 HydrophobicContact CB-CG 4.47Å; Q584-Q588 VanDerWaalsContact O-CG 3.31Å; Q584-Q588 WeakPolarHBondContact O-CG 3.4Å; Q584-Q588 PolarHBondContact O-N 2.95Å
585H29.3Very low30.9Very low163 Ų163115.6 Ų115.676%0.75563%0.626SS**THydrogen-bonded Turntrans-72.2-22.6-173.4-83.4-66000114.9
586Q27Very low32.3Very low177 Ų177111.6 Ų111.683%0.82760%0.603SS**THydrogen-bonded Turntrans-95.4-38.3177.5-80.8178.4-1700114Q584 Q588 N589Q584-Q586 VanDerWaalsContact C-N 3.34Å; Q584-Q586 PolarHBondContact O-N 3.13Å; Q586-Q588 VanDerWaalsContact C-N 3.31Å; Q586-Q588 PolarHBondContact O-N 3.43Å; Q586-N589 PolarHBondContact O-N 2.86Å
587H26.4Very low33.9Very low132 Ų132105.1 Ų105.161%0.61157%0.574SS**Hα-helixtrans-71.5-19.3179.7-86.6-48.1000114.9N589H587-N589 VanDerWaalsContact C-N 3.32Å; H587-N589 PolarHBondContact O-N 3.44Å
588Q29.8Very low35.9Very low91 Ų91103.2 Ų103.243%0.42555%0.551SS.*Hα-helixtrans-66.7-30177.5-79.2176.54.500113.2Q584 Q586 N592Q584-Q588 HydrophobicContact CB-CG 4.47Å; Q584-Q588 VanDerWaalsContact O-CG 3.31Å; Q584-Q588 WeakPolarHBondContact O-CG 3.4Å; Q584-Q588 PolarHBondContact O-N 2.95Å; Q586-Q588 VanDerWaalsContact C-N 3.31Å; Q586-Q588 PolarHBondContact O-N 3.43Å; Q588-N592 WeakPolarHBondContact O-CB 3.42Å; Q588-N592 PolarHBondContact O-N 2.87Å; Q588-N592 PolarHBondContact O-ND2 3.42Å
589N31.2Very low37.9Very low110 Ų110104.7 Ų104.759%0.58855%0.545SS*.Hα-helixtrans-73.9-35.2-176.8-80.8-17.2000113.3Q586 H587 N593Q586-N589 PolarHBondContact O-N 2.86Å; H587-N589 VanDerWaalsContact C-N 3.32Å; H587-N589 PolarHBondContact O-N 3.44Å; N589-N593 PolarHBondContact O-N 3.22Å
590E29.4Very low40.1Very low124 Ų124100.7 Ų100.758%0.57952%0.521SS*.Hα-helixtrans-72.6-43.7178.6-70.7-174.4152.600112.2N592 N593 V594E590-N592 VanDerWaalsContact C-N 3.33Å; E590-N592 PolarHBondContact O-N 2.86Å; E590-N593 PolarHBondContact O-N 3.32Å; E590-V594 PolarHBondContact O-N 3.05Å
591L32Very low42.3Very low112 Ų11295.9 Ų95.959%0.58649%0.49SS*.Hα-helixtrans-59.5-43.4176.4-102.8107.3000111.9N593 V594 D595L591-N593 PolarHBondContact O-N 3.49Å; L591-V594 PolarHBondContact O-N 3.22Å; L591-D595 PolarHBondContact O-N 3.38Å; L591-D595 VanDerWaalsContact O-N 3.11Å
592N37.4Very low44.5Very low99 Ų9996 Ų9653%0.52948%0.477SS..Hα-helixtrans-60.7-31.5179.7-75.3-22.5000112.9Q588 E590 Y596Q588-N592 WeakPolarHBondContact O-CB 3.42Å; Q588-N592 PolarHBondContact O-N 2.87Å; Q588-N592 PolarHBondContact O-ND2 3.42Å; E590-N592 VanDerWaalsContact C-N 3.33Å; E590-N592 PolarHBondContact O-N 2.86Å; N592-Y596 PolarHBondContact O-N 3.41Å
593N43.1Very low47Very low79 Ų7994.9 Ų94.942%0.42245%0.454SS..Hα-helixtrans-78.4-39.3-176.5-135.20.1000111.9N589 E590 L591 Y596 Y597N589-N593 PolarHBondContact O-N 3.22Å; E590-N593 PolarHBondContact O-N 3.32Å; L591-N593 PolarHBondContact O-N 3.49Å; N593-Y596 PolarHBondContact O-N 3.37Å; N593-Y597 PolarHBondContact O-N 2.93Å
594V50.1Low49.7Very low81 Ų8188 Ų8849%0.49142%0.418SS..Hα-helixtrans-64.2-44.8174.5175.90000110.5E590 L591 Y596 Y597 H598E590-V594 PolarHBondContact O-N 3.05Å; L591-V594 PolarHBondContact O-N 3.22Å; V594-Y596 VanDerWaalsContact C-N 3.32Å; V594-Y596 PolarHBondContact O-N 3.28Å; V594-Y597 PolarHBondContact O-N 3.02Å; V594-H598 PolarHBondContact O-CD2 3.13Å; V594-H598 VanDerWaalsContact O-CD2 3.27Å; V594-H598 PolarHBondContact O-N 3.34Å; V594-H598 VanDerWaalsContact O-N 3.1Å
595D55.6Low52.5Low75 Ų7584.2 Ų84.240%0.40140%0.401SS..Hα-helixtrans-60.4-40.2177.6-78.3-19.4000112.3L591 Y599L591-D595 PolarHBondContact O-N 3.38Å; L591-D595 VanDerWaalsContact O-N 3.11Å; D595-Y599 VanDerWaalsContact O-CB 3.28Å; D595-Y599 WeakPolarHBondContact O-CB 3.49Å; D595-Y599 PolarHBondContact O-N 3.45Å
596Y55.4Low55.1Low35 Ų3586 Ų8614%0.13740%0.401CS..Hα-helixtrans-65.6-41.6177.9-176.2-105000112.8G283 N286 N592 N593 V594 Y599 T600G283-Y596 PolarHBondContact O-OH 3.45Å; N286-Y596 HydrophobicContact CB-CD2 3.76Å; N286-Y596 HydrophobicContact CB-CE2 3.63Å; N286-Y596 HydrophobicContact CB-CG 4.45Å; N286-Y596 VanDerWaalsContact ND2-CD2 3.34Å; N286-Y596 WeakPolarHBondContact ND2-CD2 3.23Å; N592-Y596 PolarHBondContact O-N 3.41Å; N593-Y596 PolarHBondContact O-N 3.37Å; V594-Y596 VanDerWaalsContact C-N 3.32Å; V594-Y596 PolarHBondContact O-N 3.28Å; Y596-Y599 PolarHBondContact O-N 2.79Å; Y596-T600 WeakPolarHBondContact O-CB 3.38Å; Y596-T600 PolarHBondContact O-N 3.28Å; Y596-T600 PolarHBondContact O-OG1 3.32Å
597Y57.1Low57.9Low60 Ų6078.8 Ų78.824%0.23537%0.367CS..Hα-helixtrans-63.8-47.7178.6-177.6-93.8000111.2M541 F543 N593 V594 Y599 T600 Q601M541-Y597 HydrophobicContact CE-CD1 3.54Å; M541-Y597 HydrophobicContact CE-CE1 3.39Å; M541-Y597 HydrophobicContact CG-CE1 4.29Å; M541-Y597 HydrophobicContact SD-CD1 4.17Å; M541-Y597 HydrophobicContact SD-CE1 3.49Å; M541-Y597 WeakPolarHBondContact SD-CE1 3.36Å; F543-Y597 HydrophobicContact CE2-CE2 4.14Å; F543-Y597 WeakPolarHBondContact CE2-OH 3.29Å; N593-Y597 PolarHBondContact O-N 2.93Å; V594-Y597 PolarHBondContact O-N 3.02Å; Y597-Y599 PolarHBondContact O-N 3.05Å; Y597-T600 PolarHBondContact O-N 3.16Å; Y597-Q601 HydrophobicContact CD1-CG 4.31Å; Y597-Q601 HydrophobicContact CE1-CG 3.89Å; Y597-Q601 WeakPolarHBondContact O-CG 3.29Å; Y597-Q601 PolarHBondContact O-N 3.3Å; Y597-Q601 PolarHBondContact OH-NE2 2.93Å
598H66.3Low61Low41 Ų4172.5 Ų72.519%0.1934%0.338CS..Hα-helixtrans-60.6-46.7175.4-77.7-62.5000111.6V594 T600 Q601 Y602V594-H598 PolarHBondContact O-CD2 3.13Å; V594-H598 VanDerWaalsContact O-CD2 3.27Å; V594-H598 PolarHBondContact O-N 3.34Å; V594-H598 VanDerWaalsContact O-N 3.1Å; H598-T600 VanDerWaalsContact C-N 3.29Å; H598-T600 PolarHBondContact O-N 3.36Å; H598-Q601 PolarHBondContact O-N 3.14Å; H598-Y602 HydrophobicContact CB-CD2 4.34Å; H598-Y602 HydrophobicContact CB-CE2 4.27Å; H598-Y602 WeakPolarHBondContact O-CD2 3.43Å; H598-Y602 PolarHBondContact O-N 3.19Å
599Y69Low64Low143 Ų14370 Ų7056%0.56133%0.325SS*.Hα-helixtrans-55.7-45.1177.3176.3-96.4000112.2D595 Y596 Y597 Y602 K603D595-Y599 VanDerWaalsContact O-CB 3.28Å; D595-Y599 WeakPolarHBondContact O-CB 3.49Å; D595-Y599 PolarHBondContact O-N 3.45Å; Y596-Y599 PolarHBondContact O-N 2.79Å; Y597-Y599 PolarHBondContact O-N 3.05Å; Y599-Y602 PolarHBondContact O-N 2.72Å; Y599-K603 HydrophobicContact CE1-CD 4.1Å; Y599-K603 VanDerWaalsContact O-CB 3.32Å; Y599-K603 WeakPolarHBondContact O-CB 3.48Å; Y599-K603 PolarHBondContact O-N 3.35Å
600T69.1Low66.8Low8 Ų871.3 Ų71.35%0.04932%0.322CS..Hα-helixtrans-64.4-42.3179.9-55.90000111.1A419 I423 Y596 Y597 H598 K603 A604A419-T600 HydrophobicContact CB-CG2 3.54Å; I423-T600 HydrophobicContact CD1-CG2 3.46Å; I423-T600 VanDerWaalsContact CD1-CG2 3.46Å; Y596-T600 WeakPolarHBondContact O-CB 3.38Å; Y596-T600 PolarHBondContact O-N 3.28Å; Y596-T600 PolarHBondContact O-OG1 3.32Å; Y597-T600 PolarHBondContact O-N 3.16Å; H598-T600 VanDerWaalsContact C-N 3.29Å; H598-T600 PolarHBondContact O-N 3.36Å; T600-K603 PolarHBondContact O-N 3.07Å; T600-A604 WeakPolarHBondContact O-CB 3.28Å; T600-A604 PolarHBondContact O-N 2.74Å
601Q72.7Confident69.8Low23 Ų2365.4 Ų65.411%0.10729%0.294CS..Hα-helixtrans-63.8-46.1174.5-75.6-167.3-19.300113L530 Y597 H598 K603 A604 N605L530-Q601 HydrophobicContact CD1-CB 4.17Å; Y597-Q601 HydrophobicContact CD1-CG 4.31Å; Y597-Q601 HydrophobicContact CE1-CG 3.89Å; Y597-Q601 WeakPolarHBondContact O-CG 3.29Å; Y597-Q601 PolarHBondContact O-N 3.3Å; Y597-Q601 PolarHBondContact OH-NE2 2.93Å; H598-Q601 PolarHBondContact O-N 3.14Å; Q601-K603 VanDerWaalsContact C-N 3.3Å; Q601-K603 PolarHBondContact O-N 3.44Å; Q601-A604 PolarHBondContact O-N 2.99Å; Q601-N605 WeakPolarHBondContact O-CB 3.29Å; Q601-N605 PolarHBondContact O-N 2.65Å
602Y74.5Confident72.8Confident124 Ų12460 Ų6049%0.48627%0.266SS..Hα-helixtrans-60.9-40.5176.4-80.6-67.1000111.6H598 Y599 N605 R606H598-Y602 HydrophobicContact CB-CD2 4.34Å; H598-Y602 HydrophobicContact CB-CE2 4.27Å; H598-Y602 WeakPolarHBondContact O-CD2 3.43Å; H598-Y602 PolarHBondContact O-N 3.19Å; Y599-Y602 PolarHBondContact O-N 2.72Å; Y602-N605 PolarHBondContact O-N 2.72Å; Y602-R606 WeakPolarHBondContact O-CB 3.39Å; Y602-R606 PolarHBondContact O-N 3.34Å
603K79.3Confident75.5Confident77 Ų7756 Ų5634%0.33524%0.244SC..Hα-helixtrans-62.9-47.5175-174.8173.8176.9-174.40111.4I423 Y599 T600 Q601 N605 R606 I607I423-K603 HydrophobicContact CD1-CB 4.27Å; I423-K603 HydrophobicContact CD1-CD 4.15Å; I423-K603 HydrophobicContact CD1-CG 4.2Å; Y599-K603 HydrophobicContact CE1-CD 4.1Å; Y599-K603 VanDerWaalsContact O-CB 3.32Å; Y599-K603 WeakPolarHBondContact O-CB 3.48Å; Y599-K603 PolarHBondContact O-N 3.35Å; T600-K603 PolarHBondContact O-N 3.07Å; Q601-K603 VanDerWaalsContact C-N 3.3Å; Q601-K603 PolarHBondContact O-N 3.44Å; K603-N605 VanDerWaalsContact C-N 3.33Å; K603-N605 PolarHBondContact O-N 3.04Å; K603-R606 PolarHBondContact O-N 3.36Å; K603-I607 HydrophobicContact CG-CD1 4.01Å; K603-I607 WeakPolarHBondContact O-CD1 3.21Å; K603-I607 VanDerWaalsContact O-CG1 3.27Å; K603-I607 WeakPolarHBondContact O-CG1 3.25Å; K603-I607 PolarHBondContact O-N 2.95Å; K603-I607 VanDerWaalsContact O-N 3.1Å
604A82.3Confident77.8Confident5 Ų553.3 Ų53.34%0.04123%0.231CC..Hα-helixtrans-58.4-45.3175.100000111.4L422 I423 L426 T600 Q601 R606 I607 A608L422-A604 HydrophobicContact CD2-CB 4.14Å; L422-A604 HydrophobicContact CG-CB 4.43Å; I423-A604 HydrophobicContact CD1-CB 4.45Å; I423-A604 HydrophobicContact CG1-CB 3.76Å; L426-A604 HydrophobicContact CD1-CB 4.46Å; L426-A604 WeakPolarHBondContact CD1-O 3.23Å; T600-A604 WeakPolarHBondContact O-CB 3.28Å; T600-A604 PolarHBondContact O-N 2.74Å; Q601-A604 PolarHBondContact O-N 2.99Å; A604-R606 PolarHBondContact O-N 2.72Å; A604-I607 PolarHBondContact O-N 2.67Å; A604-A608 WeakPolarHBondContact O-CB 3.37Å; A604-A608 PolarHBondContact O-N 3.29Å
605N84.6Confident79.8Confident10 Ų1049.4 Ų49.45%0.05321%0.207CC..Hα-helixtrans-60.6-45.5177.8-177.5-103.5000112.6L529 L530 Q601 Y602 K603 I607 A608 R609L529-N605 WeakPolarHBondContact CA-ND2 3.38Å; L530-N605 HydrophobicContact CD1-CB 4.23Å; L530-N605 HydrophobicContact CG-CB 4.49Å; L530-N605 PolarHBondContact N-ND2 3.23Å; Q601-N605 WeakPolarHBondContact O-CB 3.29Å; Q601-N605 PolarHBondContact O-N 2.65Å; Y602-N605 PolarHBondContact O-N 2.72Å; K603-N605 VanDerWaalsContact C-N 3.33Å; K603-N605 PolarHBondContact O-N 3.04Å; N605-I607 VanDerWaalsContact C-N 3.3Å; N605-I607 PolarHBondContact O-N 3.14Å; N605-A608 PolarHBondContact O-N 3.44Å; N605-R609 WeakPolarHBondContact O-CG 3.34Å; N605-R609 PolarHBondContact O-N 2.88Å; N605-R609 VanDerWaalsContact OD1-CZ 3.24Å; N605-R609 PolarHBondContact OD1-NE 2.99Å; N605-R609 PolarHBondContact OD1-NH2 3.33Å; N605-R609 VanDerWaalsContact OD1-NH2 3.16Å
606R84.7Confident81.6Confident201 Ų20145.9 Ų45.976%0.75819%0.188SC*.Hα-helixtrans-59.9-41.9178.1-174.1179.3-179.9-174.70.9111.6Y602 K603 A604 R610Y602-R606 WeakPolarHBondContact O-CB 3.39Å; Y602-R606 PolarHBondContact O-N 3.34Å; K603-R606 PolarHBondContact O-N 3.36Å; A604-R606 PolarHBondContact O-N 2.72Å; R606-R610 PolarHBondContact O-N 3.32Å
607I86.8Confident83.2Confident25 Ų2549.5 Ų49.513%0.12820%0.202CC..Hα-helixtrans-70.6-42.1178.3-58.6160.4000109.8I423 L426 T427 K603 A604 N605 R609 R610 V611I423-I607 HydrophobicContact CG2-CD1 3.77Å; L426-I607 HydrophobicContact CB-CB 4.32Å; L426-I607 HydrophobicContact CB-CG2 3.62Å; T427-I607 HydrophobicContact CG2-CD1 3.81Å; T427-I607 HydrophobicContact CG2-CG2 4.23Å; K603-I607 HydrophobicContact CG-CD1 4.01Å; K603-I607 WeakPolarHBondContact O-CD1 3.21Å; K603-I607 VanDerWaalsContact O-CG1 3.27Å; K603-I607 WeakPolarHBondContact O-CG1 3.25Å; K603-I607 PolarHBondContact O-N 2.95Å; K603-I607 VanDerWaalsContact O-N 3.1Å; A604-I607 PolarHBondContact O-N 2.67Å; N605-I607 VanDerWaalsContact C-N 3.3Å; N605-I607 PolarHBondContact O-N 3.14Å; I607-R609 PolarHBondContact O-N 3Å; I607-R610 WeakPolarHBondContact O-CB 3.3Å; I607-R610 PolarHBondContact O-N 2.81Å; I607-R610 VanDerWaalsContact O-N 3.1Å; I607-V611 HydrophobicContact CG2-CG2 4.2Å; I607-V611 WeakPolarHBondContact O-CG2 3.33Å; I607-V611 PolarHBondContact O-N 3.35Å
608A90.3Very high84.7Confident0 Ų047 Ų470%019%0.193CC..Hα-helixtrans-58.1-44.4176.100000112.4L426 H528 L529 A604 N605 R610 V611 F612L426-A608 HydrophobicContact CD1-CB 3.96Å; L426-A608 HydrophobicContact CD2-CB 4.15Å; H528-A608 HydrophobicContact CB-CB 4.49Å; L529-A608 HydrophobicContact CD2-CB 3.93Å; A604-A608 WeakPolarHBondContact O-CB 3.37Å; A604-A608 PolarHBondContact O-N 3.29Å; N605-A608 PolarHBondContact O-N 3.44Å; A608-R610 VanDerWaalsContact C-N 3.31Å; A608-R610 PolarHBondContact O-N 3.16Å; A608-V611 PolarHBondContact O-N 2.93Å; A608-F612 WeakPolarHBondContact O-CB 3.41Å; A608-F612 PolarHBondContact O-N 3.45Å
609R92.5Very high85.7Confident39 Ų3945 Ų4515%0.14718%0.184CC..Hα-helixtrans-58.5-43.9174-69.4179.5-169.6-1630.1111.8L529 N605 I607 F612 L613 W659 F660L529-R609 HydrophobicContact CD2-CB 4.32Å; L529-R609 HydrophobicContact CD2-CG 3.45Å; L529-R609 VanDerWaalsContact CD2-CG 3.45Å; N605-R609 WeakPolarHBondContact O-CG 3.34Å; N605-R609 PolarHBondContact O-N 2.88Å; N605-R609 VanDerWaalsContact OD1-CZ 3.24Å; N605-R609 PolarHBondContact OD1-NE 2.99Å; N605-R609 PolarHBondContact OD1-NH2 3.33Å; N605-R609 VanDerWaalsContact OD1-NH2 3.16Å; I607-R609 PolarHBondContact O-N 3Å; R609-F612 PolarHBondContact O-N 3.46Å; R609-L613 WeakPolarHBondContact O-CG 3.27Å; R609-L613 PolarHBondContact O-N 3.27Å; R609-L613 VanDerWaalsContact O-N 3.08Å; R609-W659 HydrophobicContact CB-CH2 4.24Å; R609-W659 HydrophobicContact CB-CZ3 4.2Å; R609-W659 HydrophobicContact CG-CZ3 4.36Å; R609-F660 HydrophobicContact CB-CE1 4.48Å; R609-F660 HydrophobicContact CB-CZ 4.2Å; R609-F660 HydrophobicContact CG-CZ 3.95Å
610R90.8Very high86.5Confident136 Ų13639 Ų3951%0.51316%0.162SC..Hα-helixtrans-64.3-44.6177.6-173.9-179.3-175174.43111.8D430 R434 R606 I607 A608 L613 T614D430-R610 WeakPolarHBondContact OD2-CD 3.39Å; D430-R610 IonicContact OD2-CZ 3.88Å; D430-R610 IonicContact OD2-NE 2.96Å; R434-R610 VanDerWaalsContact NH1-NH2 3.18Å; R606-R610 PolarHBondContact O-N 3.32Å; I607-R610 WeakPolarHBondContact O-CB 3.3Å; I607-R610 PolarHBondContact O-N 2.81Å; I607-R610 VanDerWaalsContact O-N 3.1Å; A608-R610 VanDerWaalsContact C-N 3.31Å; A608-R610 PolarHBondContact O-N 3.16Å; R610-L613 PolarHBondContact O-N 3.41Å; R610-T614 WeakPolarHBondContact O-CB 3.45Å; R610-T614 PolarHBondContact O-N 3.18Å; R610-T614 PolarHBondContact O-OG1 2.89Å
611V93Very high87Confident0 Ų040.9 Ų40.90%017%0.173CC..Hα-helixtrans-60.8-47.1177.6170.90000110.3L426 V429 D430 I433 T521 A525 I607 A608 L613 T614 A615L426-V611 HydrophobicContact CD2-CG2 4.35Å; L426-V611 WeakPolarHBondContact O-CG2 3Å; V429-V611 HydrophobicContact CG1-CG1 3.76Å; D430-V611 HydrophobicContact CB-CG2 3.63Å; I433-V611 HydrophobicContact CD1-CG1 4.4Å; T521-V611 HydrophobicContact CG2-CG1 3.46Å; T521-V611 VanDerWaalsContact CG2-CG1 3.46Å; A525-V611 HydrophobicContact CB-CB 4.25Å; A525-V611 HydrophobicContact CB-CG1 3.96Å; I607-V611 HydrophobicContact CG2-CG2 4.2Å; I607-V611 WeakPolarHBondContact O-CG2 3.33Å; I607-V611 PolarHBondContact O-N 3.35Å; A608-V611 PolarHBondContact O-N 2.93Å; V611-L613 PolarHBondContact O-N 3.07Å; V611-T614 PolarHBondContact O-N 2.84Å; V611-A615 VanDerWaalsContact O-CB 3.28Å; V611-A615 WeakPolarHBondContact O-CB 3.31Å; V611-A615 PolarHBondContact O-N 2.98Å
612F94.8Very high86.9Confident0 Ų041.7 Ų41.70%018%0.175CC..Hα-helixtrans-56.8-51.8178-172-76.7000111.2I522 A525 R526 A608 R609 T614 A615 A616 E648 I649 F660I522-F612 HydrophobicContact CG2-CD2 3.93Å; I522-F612 HydrophobicContact CG2-CE2 3.44Å; I522-F612 VanDerWaalsContact CG2-CE2 3.44Å; I522-F612 HydrophobicContact CG2-CZ 3.85Å; A525-F612 HydrophobicContact CB-CB 4.04Å; A525-F612 HydrophobicContact CB-CD2 4.44Å; R526-F612 HydrophobicContact CB-CD2 4.31Å; R526-F612 HydrophobicContact CB-CE2 4.12Å; A608-F612 WeakPolarHBondContact O-CB 3.41Å; A608-F612 PolarHBondContact O-N 3.45Å; R609-F612 PolarHBondContact O-N 3.46Å; F612-T614 VanDerWaalsContact C-N 3.35Å; F612-T614 PolarHBondContact O-N 2.92Å; F612-A615 PolarHBondContact O-N 2.85Å; F612-A616 WeakPolarHBondContact O-CB 3.44Å; F612-A616 PolarHBondContact O-N 2.98Å; F612-E648 HydrophobicContact CE2-CB 4.43Å; F612-E648 HydrophobicContact CZ-CB 4.35Å; F612-I649 HydrophobicContact CE1-CG1 4.1Å; F612-I649 HydrophobicContact CZ-CG1 4.01Å; F612-F660 HydrophobicContact CB-CE1 3.91Å; F612-F660 HydrophobicContact CB-CZ 4.28Å; F612-F660 AromaticContact CD1-CD1 3.6Å; F612-F660 HydrophobicContact CD1-CD1 3.6Å; F612-F660 AromaticContact CD1-CE1 3.48Å; F612-F660 HydrophobicContact CD1-CE1 3.48Å; F612-F660 VanDerWaalsContact CD1-CE1 3.48Å; F612-F660 HydrophobicContact CD1-CG 4.4Å; F612-F660 HydrophobicContact CD1-CZ 4.19Å; F612-F660 AromaticContact CE1-CD1 3.97Å; F612-F660 HydrophobicContact CE1-CD1 3.97Å; F612-F660 HydrophobicContact CE1-CE1 4.23Å; F612-F660 HydrophobicContact CE1-CG 4.37Å; F612-F660 HydrophobicContact CG-CD1 4.41Å; F612-F660 AromaticContact CG-CE1 3.85Å; F612-F660 HydrophobicContact CG-CE1 3.85Å; F612-F660 HydrophobicContact CG-CZ 4.21Å
613L93Very high86.4Confident13 Ų1337.8 Ų37.87%0.06816%0.161CC..Hα-helixtrans-61.5-42.4178.9-72.5169.4000112.5R609 R610 V611 R617 W659 F660 R663 L664 L667R609-L613 WeakPolarHBondContact O-CG 3.27Å; R609-L613 PolarHBondContact O-N 3.27Å; R609-L613 VanDerWaalsContact O-N 3.08Å; R610-L613 PolarHBondContact O-N 3.41Å; V611-L613 PolarHBondContact O-N 3.07Å; L613-R617 VanDerWaalsContact O-CB 3.27Å; L613-R617 WeakPolarHBondContact O-CB 3.08Å; L613-R617 PolarHBondContact O-N 2.92Å; L613-W659 HydrophobicContact CD1-CH2 3.79Å; L613-W659 HydrophobicContact CD1-CZ3 4Å; L613-F660 HydrophobicContact CD2-CD1 3.69Å; L613-F660 HydrophobicContact CD2-CE1 4.2Å; L613-F660 HydrophobicContact CG-CD1 3.96Å; L613-F660 HydrophobicContact CG-CE1 3.94Å; L613-R663 HydrophobicContact CD1-CB 4.32Å; L613-R663 HydrophobicContact CD1-CG 3.48Å; L613-R663 VanDerWaalsContact CD1-CG 3.48Å; L613-R663 HydrophobicContact CD2-CB 4.01Å; L613-R663 HydrophobicContact CD2-CG 3.88Å; L613-R663 HydrophobicContact CG-CG 4.34Å; L613-L664 HydrophobicContact CD2-CD2 3.74Å; L613-L664 HydrophobicContact CD2-CG 3.74Å; L613-L667 HydrophobicContact CB-CD1 4.08Å; L613-L667 HydrophobicContact CD1-CD1 4.48Å; L613-L667 HydrophobicContact CD2-CD1 4.23Å
614T91.4Very high85.3Confident23 Ų2336.9 Ų36.914%0.14117%0.165CC..Hα-helixtrans-67.9-42-178-53.70000110.8I433 R434 Q437 R610 V611 F612 A618I433-T614 HydrophobicContact CB-CG2 4.14Å; I433-T614 HydrophobicContact CG2-CG2 3.52Å; R434-T614 HydrophobicContact CG-CG2 4.39Å; Q437-T614 PolarHBondContact NE2-O 3.25Å; R610-T614 WeakPolarHBondContact O-CB 3.45Å; R610-T614 PolarHBondContact O-N 3.18Å; R610-T614 PolarHBondContact O-OG1 2.89Å; V611-T614 PolarHBondContact O-N 2.84Å; F612-T614 VanDerWaalsContact C-N 3.35Å; F612-T614 PolarHBondContact O-N 2.92Å; T614-A618 WeakPolarHBondContact O-CB 3.48Å; T614-A618 PolarHBondContact O-N 3.5Å
615A92.5Very high83.9Confident0 Ų040.9 Ų40.90%018%0.183CC..Hα-helixtrans-68.4-44176.500000112.3I433 L518 T521 I522 V611 F612 A618 L619I433-A615 HydrophobicContact CD1-CB 3.79Å; L518-A615 HydrophobicContact CD2-CB 4.27Å; T521-A615 HydrophobicContact CG2-CB 3.98Å; I522-A615 HydrophobicContact CD1-CB 4.39Å; I522-A615 HydrophobicContact CG1-CB 3.71Å; V611-A615 VanDerWaalsContact O-CB 3.28Å; V611-A615 WeakPolarHBondContact O-CB 3.31Å; V611-A615 PolarHBondContact O-N 2.98Å; F612-A615 PolarHBondContact O-N 2.85Å; A615-A618 WeakPolarHBondContact O-CB 3.46Å; A615-A618 PolarHBondContact O-N 3.44Å; A615-L619 WeakPolarHBondContact O-CB 3.29Å; A615-L619 PolarHBondContact O-N 2.93Å
616A93.6Very high82.1Confident0 Ų045.7 Ų45.70%020%0.203CC..Hα-helixtrans-62-46.1176.500000111.3I522 F612 A618 L619 L620 I645 L664I522-A616 HydrophobicContact CD1-CB 4.37Å; F612-A616 WeakPolarHBondContact O-CB 3.44Å; F612-A616 PolarHBondContact O-N 2.98Å; A616-A618 VanDerWaalsContact C-N 3.35Å; A616-A618 PolarHBondContact O-N 3.14Å; A616-L619 PolarHBondContact O-N 3.37Å; A616-L620 WeakPolarHBondContact O-CG 3.33Å; A616-L620 PolarHBondContact O-N 2.88Å; A616-I645 HydrophobicContact CB-CD1 3.96Å; A616-I645 HydrophobicContact CB-CG1 4.33Å; A616-I645 HydrophobicContact CB-CG2 4.34Å; A616-L664 HydrophobicContact CB-CD1 4.25Å; A616-L664 HydrophobicContact CB-CD2 3.81Å
617R89.6Confident79.9Confident111 Ų11140.8 Ų40.842%0.41919%0.191SC..Hα-helixtrans-57.8-47.2172.8-175.6-177.6-178.7-174.70111.4L613 L619 L620 T621 L667 L668L613-R617 VanDerWaalsContact O-CB 3.27Å; L613-R617 WeakPolarHBondContact O-CB 3.08Å; L613-R617 PolarHBondContact O-N 2.92Å; R617-L619 VanDerWaalsContact C-N 3.27Å; R617-L619 PolarHBondContact O-N 3.46Å; R617-L620 PolarHBondContact O-N 3.22Å; R617-T621 HydrophobicContact CG-CG2 4.33Å; R617-T621 WeakPolarHBondContact O-CG2 3.38Å; R617-T621 PolarHBondContact O-N 3.4Å; R617-T621 PolarHBondContact O-OG1 3.41Å; R617-T621 VanDerWaalsContact O-OG1 3.07Å; R617-L667 PolarHBondContact NE-O 2.91Å; R617-L668 HydrophobicContact CG-CD2 4.35Å
618A87.4Confident77.6Confident7 Ų748 Ų486%0.05822%0.222CC..Hα-helixtrans-58.9-39178.400000112.4I433 Q437 L518 T614 A615 A616 T621 W622I433-A618 HydrophobicContact CG2-CB 4.18Å; Q437-A618 HydrophobicContact CG-CB 4.45Å; L518-A618 HydrophobicContact CD1-CB 3.97Å; L518-A618 HydrophobicContact CD2-CB 3.87Å; T614-A618 WeakPolarHBondContact O-CB 3.48Å; T614-A618 PolarHBondContact O-N 3.5Å; A615-A618 WeakPolarHBondContact O-CB 3.46Å; A615-A618 PolarHBondContact O-N 3.44Å; A616-A618 VanDerWaalsContact C-N 3.35Å; A616-A618 PolarHBondContact O-N 3.14Å; A618-T621 PolarHBondContact O-OG1 3.11Å; A618-W622 VanDerWaalsContact O-CB 3.24Å; A618-W622 WeakPolarHBondContact O-CB 3.16Å; A618-W622 PolarHBondContact O-N 2.84Å
619L87.9Confident75.2Confident0 Ų055 Ų550%026%0.259CS..Hα-helixtrans-73.5-39.3-178.6-171.167.5000112R515 L518 I522 A615 A616 R617 W622 Q623 F639 A641 F644 I645R515-L619 HydrophobicContact CG-CD1 4.03Å; L518-L619 HydrophobicContact CB-CB 4.46Å; L518-L619 HydrophobicContact CB-CD1 4.11Å; L518-L619 HydrophobicContact CD1-CB 4.2Å; L518-L619 HydrophobicContact CD1-CD1 4.11Å; I522-L619 HydrophobicContact CD1-CD2 3.93Å; A615-L619 WeakPolarHBondContact O-CB 3.29Å; A615-L619 PolarHBondContact O-N 2.93Å; A616-L619 PolarHBondContact O-N 3.37Å; R617-L619 VanDerWaalsContact C-N 3.27Å; R617-L619 PolarHBondContact O-N 3.46Å; L619-W622 WeakPolarHBondContact O-CB 3.19Å; L619-W622 PolarHBondContact O-N 3.46Å; L619-Q623 PolarHBondContact O-N 2.94Å; L619-F639 HydrophobicContact CD1-CE1 4.14Å; L619-F639 HydrophobicContact CD2-CE1 4.23Å; L619-F639 HydrophobicContact CD2-CZ 4.11Å; L619-F639 HydrophobicContact CG-CE1 4.44Å; L619-A641 HydrophobicContact CD2-CB 4Å; L619-A641 HydrophobicContact CG-CB 3.78Å; L619-F644 HydrophobicContact CD2-CD1 4.06Å; L619-I645 HydrophobicContact CB-CD1 4.41Å; L619-I645 HydrophobicContact CD2-CD1 4.12Å; L619-I645 HydrophobicContact CD2-CG1 4.24Å
620L86.3Confident72.5Confident17 Ų1762.3 Ų62.39%0.08929%0.287CS..Hα-helixtrans-69.4-45.5177.9-70.2173.6000112.1A616 R617 W622 Q623 S624 A641 N642 I645 L668A616-L620 WeakPolarHBondContact O-CG 3.33Å; A616-L620 PolarHBondContact O-N 2.88Å; R617-L620 PolarHBondContact O-N 3.22Å; L620-W622 PolarHBondContact O-N 3.49Å; L620-Q623 PolarHBondContact O-N 3.27Å; L620-Q623 VanDerWaalsContact O-N 3.17Å; L620-S624 PolarHBondContact O-N 3.14Å; L620-A641 HydrophobicContact CD2-CB 4.25Å; L620-N642 WeakPolarHBondContact CD2-OD1 3.33Å; L620-I645 HydrophobicContact CD1-CD1 3.86Å; L620-I645 HydrophobicContact CD2-CD1 3.66Å; L620-I645 HydrophobicContact CG-CD1 3.45Å; L620-I645 VanDerWaalsContact CG-CD1 3.45Å; L620-L668 HydrophobicContact CB-CD2 4.31Å; L620-L668 HydrophobicContact CD1-CD1 3.67Å
621T78.4Confident70Confident48 Ų4867.4 Ų67.429%0.29431%0.308SS..Hα-helixtrans-69.1-14.3175.2630000112.6R440 R617 A618 S624 L668R440-T621 PolarHBondContact NH1-O 3.42Å; R440-T621 PolarHBondContact NH2-O 2.89Å; R617-T621 HydrophobicContact CG-CG2 4.33Å; R617-T621 WeakPolarHBondContact O-CG2 3.38Å; R617-T621 PolarHBondContact O-N 3.4Å; R617-T621 PolarHBondContact O-OG1 3.41Å; R617-T621 VanDerWaalsContact O-OG1 3.07Å; A618-T621 PolarHBondContact O-OG1 3.11Å; T621-S624 PolarHBondContact O-OG 3.23Å; T621-L668 HydrophobicContact CG2-CD2 4.28Å
622W70.5Confident67.3Low40 Ų4073.1 Ų73.115%0.15234%0.338CS..Hα-helixtrans-79.1-33.2172.4-172.683.7000112.5Q511 R515 A618 L619 L620 K626Q511-W622 HydrophobicContact CB-CZ2 4.07Å; R515-W622 HydrophobicContact CB-CH2 4.44Å; R515-W622 HydrophobicContact CB-CZ3 4.43Å; R515-W622 HydrophobicContact CG-CZ3 4.39Å; A618-W622 VanDerWaalsContact O-CB 3.24Å; A618-W622 WeakPolarHBondContact O-CB 3.16Å; A618-W622 PolarHBondContact O-N 2.84Å; L619-W622 WeakPolarHBondContact O-CB 3.19Å; L619-W622 PolarHBondContact O-N 3.46Å; L620-W622 PolarHBondContact O-N 3.49Å; W622-K626 HydrophobicContact CH2-CD 4.46Å
623Q65.7Low64.7Low41 Ų4178.7 Ų78.719%0.19238%0.375CS..Hα-helixtrans-78.4-32-179.3-172.4175.6-12.200113.2L619 L620 E625 K626 A641L619-Q623 PolarHBondContact O-N 2.94Å; L620-Q623 PolarHBondContact O-N 3.27Å; L620-Q623 VanDerWaalsContact O-N 3.17Å; Q623-E625 PolarHBondContact O-N 3.03Å; Q623-K626 PolarHBondContact O-N 2.9Å; Q623-A641 HydrophobicContact CB-CB 4.46Å
624S56.4Low62.2Low58 Ų5883.5 Ų83.541%0.40640%0.399SS..Hα-helixtrans-60-29.5-176.357.30000113.9L620 T621 F628L620-S624 PolarHBondContact O-N 3.14Å; T621-S624 PolarHBondContact O-OG 3.23Å; S624-F628 WeakPolarHBondContact O-CD2 3.33Å
625E51.1Low59.7Low89 Ų8985.9 Ų85.942%0.41642%0.415SS..Hα-helixtrans-74.9-34.8-179.8-77.2170.1-16800113.2R440 Q623 I627 F628R440-E625 IonicContact CZ-OE1 3.64Å; R440-E625 IonicContact CZ-OE2 3.68Å; R440-E625 IonicContact NH2-OE1 2.72Å; R440-E625 PolarHBondContact NH2-OE1 3.49Å; R440-E625 IonicContact NH2-OE2 3.78Å; R440-E625 PolarHBondContact NH2-OE2 3.33Å; Q623-E625 PolarHBondContact O-N 3.03Å; E625-I627 PolarHBondContact O-N 3.39Å; E625-I627 VanDerWaalsContact O-N 3.16Å; E625-F628 PolarHBondContact O-N 3.33Å; E625-F628 VanDerWaalsContact O-N 3.14Å
626K47Very low57.2Low111 Ų11192.7 Ų92.748%0.48346%0.459SS..Hα-helixtrans-66.3-20.6-179.9-74-162.2177.4-1630113.4W622 Q623 F628W622-K626 HydrophobicContact CH2-CD 4.46Å; Q623-K626 PolarHBondContact O-N 2.9Å; K626-F628 VanDerWaalsContact C-N 3.33Å
627I39.9Very low55.2Low98 Ų9897.9 Ų97.950%0.50350%0.496SS..THydrogen-bonded Turntrans-77.3-23.5180-59.6173000110.8E625E625-I627 PolarHBondContact O-N 3.39Å; E625-I627 VanDerWaalsContact O-N 3.16Å
628F38.3Very low54.1Low178 Ų17896 Ų9678%0.78150%0.496SS*.THydrogen-bonded Turntrans-82.9-19.2-176.5-84.6-80.7000114.9S624 E625 K626S624-F628 WeakPolarHBondContact O-CD2 3.33Å; E625-F628 PolarHBondContact O-N 3.33Å; E625-F628 VanDerWaalsContact O-N 3.14Å; K626-F628 VanDerWaalsContact C-N 3.33Å
629D39.6Very low53.5Low147 Ų14798.6 Ų98.679%0.78651%0.506SS*.SBendtrans-100.7-6.5-175.2-84.4-17.3000115.5
630R35.5Very low53.3Low192 Ų192102 Ų10273%0.72552%0.524SS*.  trans-141.3112.9178.9-63.2-168.5-167.4-136.40.8112.4D632R630-D632 PolarHBondContact O-N 3.19Å; R630-D632 VanDerWaalsContact O-N 3.13Å
631Y38.5Very low53.3Low243 Ų243101.2 Ų101.295%0.95352%0.521SS*.  trans-7218.4164.6-89.9-88.8000113.4
632D36.6Very low53.7Low120 Ų120100.9 Ų100.964%0.64252%0.517SS*.SBendtrans-90.9138174.5-77.8-34.2000110.6R630 I634R630-D632 PolarHBondContact O-N 3.19Å; R630-D632 VanDerWaalsContact O-N 3.13Å; D632-I634 PolarHBondContact O-N 2.87Å
633P40.3Very low54.5Low117 Ų117102.1 Ų102.176%0.7653%0.532SS*.PPolyproline II helixtrans-57.6125176.922.9-31.4000110.4P635P633-P635 WeakPolarHBondContact O-CD 3.49Å
634I39.1Very low55.8Low114 Ų114101.8 Ų101.859%0.58553%0.53SS*.PPolyproline II helixtrans-51.1117.2177-62.5171.5000109.1D632 T638D632-I634 PolarHBondContact O-N 2.87Å; I634-T638 HydrophobicContact CG2-CG2 3.74Å; I634-T638 WeakPolarHBondContact CG2-OG1 3.5Å
635P39.1Very low57.5Low72 Ų7299.2 Ų99.247%0.46851%0.511SS..PPolyproline II helixtrans-62.3143176.517.3-24000110.2P633 S637 T638P633-P635 WeakPolarHBondContact O-CD 3.49Å; P635-S637 PolarHBondContact O-N 2.81Å; P635-T638 HydrophobicContact CG-CG2 3.88Å; P635-T638 WeakPolarHBondContact O-CG2 3.44Å; P635-T638 PolarHBondContact O-N 3.39Å; P635-T638 PolarHBondContact O-OG1 3Å
636P40.5Very low59.4Low143 Ų14396.9 Ų96.993%0.92950%0.5SS*.THydrogen-bonded Turntrans-59.5-11.3-171.820.2-31.8000114.8
637S50.8Low61.5Low110 Ų11093.9 Ų93.977%0.76949%0.493SS*.THydrogen-bonded Turntrans-92.55.2177.756.80000114.8P635P635-S637 PolarHBondContact O-N 2.81Å
638T66.4Low64Low70 Ų7089.8 Ų89.843%0.42947%0.472SS..SBendtrans-76.8129.1177.457.50000112I634 P635 N640I634-T638 HydrophobicContact CG2-CG2 3.74Å; I634-T638 WeakPolarHBondContact CG2-OG1 3.5Å; P635-T638 HydrophobicContact CG-CG2 3.88Å; P635-T638 WeakPolarHBondContact O-CG2 3.44Å; P635-T638 PolarHBondContact O-N 3.39Å; P635-T638 PolarHBondContact O-OG1 3Å; T638-N640 PolarHBondContact O-N 3.27Å
639F76.3Confident66.5Low63 Ų6381.3 Ų81.328%0.27644%0.435SS..  trans-52.9120.2169.7175.3-95.9000112R515 C519 L619 A641 F644R515-F639 HydrophobicContact CG-CD1 4.25Å; R515-F639 HydrophobicContact CG-CE1 4.09Å; C519-F639 WeakPolarHBondContact SG-CZ 3.34Å; L619-F639 HydrophobicContact CD1-CE1 4.14Å; L619-F639 HydrophobicContact CD2-CE1 4.23Å; L619-F639 HydrophobicContact CD2-CZ 4.11Å; L619-F639 HydrophobicContact CG-CE1 4.44Å; F639-A641 HydrophobicContact CE1-CB 3.81Å; F639-F644 HydrophobicContact CE2-CB 3.94Å; F639-F644 HydrophobicContact CE2-CD2 4.25Å; F639-F644 HydrophobicContact CE2-CG 4.01Å; F639-F644 HydrophobicContact CZ-CB 3.87Å; F639-F644 HydrophobicContact CZ-CD1 4.21Å; F639-F644 AromaticContact CZ-CG 3.97Å; F639-F644 HydrophobicContact CZ-CG 3.97Å
640N83.8Confident69Low71 Ų7179.3 Ų79.338%0.3842%0.424SS..  trans-100.4107.1173.1-178.2-10.4000110.2T638 N642 S643 F644T638-N640 PolarHBondContact O-N 3.27Å; N640-N642 VanDerWaalsContact C-N 3.31Å; N640-N642 PolarHBondContact O-N 2.97Å; N640-N642 WeakPolarHBondContact OD1-CB 3.4Å; N640-N642 PolarHBondContact OD1-N 3.28Å; N640-N642 VanDerWaalsContact OD1-N 3.08Å; N640-S643 PolarHBondContact O-N 3.28Å; N640-S643 PolarHBondContact O-OG 3.45Å; N640-S643 PolarHBondContact OD1-N 3.15Å; N640-F644 PolarHBondContact O-N 2.84Å; N640-F644 VanDerWaalsContact O-N 3.11Å
641A85.7Confident71.6Confident1 Ų177.9 Ų77.91%0.00842%0.419CS..Hα-helixtrans-62.9-35.4-178.800000112.9L619 L620 Q623 F639 F644 I645L619-A641 HydrophobicContact CD2-CB 4Å; L619-A641 HydrophobicContact CG-CB 3.78Å; L620-A641 HydrophobicContact CD2-CB 4.25Å; Q623-A641 HydrophobicContact CB-CB 4.46Å; F639-A641 HydrophobicContact CE1-CB 3.81Å; A641-F644 PolarHBondContact O-N 3.19Å; A641-I645 WeakPolarHBondContact O-CB 3.43Å; A641-I645 WeakPolarHBondContact O-CG1 3.19Å; A641-I645 PolarHBondContact O-N 3.4Å
642N86.9Confident74Confident40 Ų4067.7 Ų67.721%0.21438%0.381CS..Hα-helixtrans-60.4-49.3176.4-73.7-58.4000110.4L620 N640 F644 I645 E646 W686L620-N642 WeakPolarHBondContact CD2-OD1 3.33Å; N640-N642 VanDerWaalsContact C-N 3.31Å; N640-N642 PolarHBondContact O-N 2.97Å; N640-N642 WeakPolarHBondContact OD1-CB 3.4Å; N640-N642 PolarHBondContact OD1-N 3.28Å; N640-N642 VanDerWaalsContact OD1-N 3.08Å; N642-F644 VanDerWaalsContact C-N 3.31Å; N642-F644 PolarHBondContact O-N 2.89Å; N642-I645 PolarHBondContact O-N 3.18Å; N642-E646 WeakPolarHBondContact O-CB 3.49Å; N642-E646 PolarHBondContact O-N 3.38Å; N642-W686 PolarHBondContact OD1-NE1 3.36Å; N642-W686 VanDerWaalsContact OD1-NE1 3.16Å
643S87.4Confident76.3Confident67 Ų6764.6 Ų64.647%0.46936%0.364SS..Hα-helixtrans-62.2-39.4179.178.50000112.2N640 S647N640-S643 PolarHBondContact O-N 3.28Å; N640-S643 PolarHBondContact O-OG 3.45Å; N640-S643 PolarHBondContact OD1-N 3.15Å; S643-S647 WeakPolarHBondContact O-CB 3.29Å; S643-S647 PolarHBondContact O-N 3.34Å
644F92.4Very high78.4Confident34 Ų3462.6 Ų62.615%0.14936%0.357CS..Hα-helixtrans-65.4-49.3178.8175-97.8000111.1C519 I522 I523 L619 F639 N640 A641 N642 S647 E648C519-F644 HydrophobicContact CB-CE1 3.86Å; C519-F644 HydrophobicContact CB-CE2 4.4Å; C519-F644 HydrophobicContact CB-CZ 3.71Å; I522-F644 HydrophobicContact CB-CE1 4.29Å; I522-F644 HydrophobicContact CD1-CE1 4.06Å; I522-F644 HydrophobicContact CG2-CE1 4.2Å; I523-F644 HydrophobicContact CD1-CE2 4.36Å; I523-F644 HydrophobicContact CD1-CZ 4.03Å; I523-F644 HydrophobicContact CG1-CZ 4.06Å; L619-F644 HydrophobicContact CD2-CD1 4.06Å; F639-F644 HydrophobicContact CE2-CB 3.94Å; F639-F644 HydrophobicContact CE2-CD2 4.25Å; F639-F644 HydrophobicContact CE2-CG 4.01Å; F639-F644 HydrophobicContact CZ-CB 3.87Å; F639-F644 HydrophobicContact CZ-CD1 4.21Å; F639-F644 AromaticContact CZ-CG 3.97Å; F639-F644 HydrophobicContact CZ-CG 3.97Å; N640-F644 PolarHBondContact O-N 2.84Å; N640-F644 VanDerWaalsContact O-N 3.11Å; A641-F644 PolarHBondContact O-N 3.19Å; N642-F644 VanDerWaalsContact C-N 3.31Å; N642-F644 PolarHBondContact O-N 2.89Å; F644-S647 PolarHBondContact O-N 3.32Å; F644-S647 PolarHBondContact O-OG 3.08Å; F644-E648 HydrophobicContact CE1-CG 4.13Å; F644-E648 HydrophobicContact CE2-CG 4.25Å; F644-E648 HydrophobicContact CZ-CG 3.93Å; F644-E648 PolarHBondContact O-N 2.98Å
645I92.6Very high80.6Confident3 Ų360.2 Ų60.22%0.01535%0.349CS..Hα-helixtrans-63.4-45-179.8-70164.5000110.7I522 A616 L619 L620 A641 N642 S647 E648 I649 L664I522-I645 HydrophobicContact CD1-CG1 4.21Å; A616-I645 HydrophobicContact CB-CD1 3.96Å; A616-I645 HydrophobicContact CB-CG1 4.33Å; A616-I645 HydrophobicContact CB-CG2 4.34Å; L619-I645 HydrophobicContact CB-CD1 4.41Å; L619-I645 HydrophobicContact CD2-CD1 4.12Å; L619-I645 HydrophobicContact CD2-CG1 4.24Å; L620-I645 HydrophobicContact CD1-CD1 3.86Å; L620-I645 HydrophobicContact CD2-CD1 3.66Å; L620-I645 HydrophobicContact CG-CD1 3.45Å; L620-I645 VanDerWaalsContact CG-CD1 3.45Å; A641-I645 WeakPolarHBondContact O-CB 3.43Å; A641-I645 WeakPolarHBondContact O-CG1 3.19Å; A641-I645 PolarHBondContact O-N 3.4Å; N642-I645 PolarHBondContact O-N 3.18Å; I645-S647 VanDerWaalsContact C-N 3.3Å; I645-S647 PolarHBondContact O-N 2.88Å; I645-E648 PolarHBondContact O-N 2.97Å; I645-E648 VanDerWaalsContact O-N 3.13Å; I645-I649 HydrophobicContact CG2-CD1 3.73Å; I645-I649 HydrophobicContact CG2-CG1 4.3Å; I645-I649 WeakPolarHBondContact O-CG1 3.35Å; I645-I649 PolarHBondContact O-N 2.92Å; I645-L664 HydrophobicContact CG2-CD1 4Å
646E90.7Very high82.8Confident40 Ų4056.8 Ų56.819%0.18733%0.327CS..Hα-helixtrans-61.1-39.5175.3-81.5-58.9138.500111.9N642 E648 I649 N650 R661 W686N642-E646 WeakPolarHBondContact O-CB 3.49Å; N642-E646 PolarHBondContact O-N 3.38Å; E646-E648 VanDerWaalsContact C-N 3.29Å; E646-E648 PolarHBondContact O-N 2.83Å; E646-I649 PolarHBondContact O-N 3.28Å; E646-N650 WeakPolarHBondContact O-CB 3.42Å; E646-N650 VanDerWaalsContact O-CG 3.23Å; E646-N650 PolarHBondContact O-N 3.48Å; E646-N650 PolarHBondContact O-ND2 3.3Å; E646-R661 IonicContact OE1-NE 3.69Å; E646-R661 IonicContact OE2-CZ 3.46Å; E646-R661 IonicContact OE2-NE 3.11Å; E646-R661 PolarHBondContact OE2-NE 3.44Å; E646-R661 VanDerWaalsContact OE2-NE 3.11Å; E646-R661 IonicContact OE2-NH2 2.85Å; E646-R661 PolarHBondContact OE2-NH2 2.91Å; E646-W686 WeakPolarHBondContact OE1-CH2 3.42Å
647S91.1Very high85.1Confident48 Ų4850.2 Ų50.234%0.33629%0.285SS..Hα-helixtrans-61.9-36.5175.180.60000112.6S643 F644 I645 R651S643-S647 WeakPolarHBondContact O-CB 3.29Å; S643-S647 PolarHBondContact O-N 3.34Å; F644-S647 PolarHBondContact O-N 3.32Å; F644-S647 PolarHBondContact O-OG 3.08Å; I645-S647 VanDerWaalsContact C-N 3.3Å; I645-S647 PolarHBondContact O-N 2.88Å; S647-R651 WeakPolarHBondContact O-CG 3.34Å
648E91.4Very high86.9Confident13 Ų1348.3 Ų48.36%0.06127%0.269CS..Hα-helixtrans-76.2-33.1177.3-68.5-60.2121.100112.2I522 R526 F612 F644 I645 E646 R651I522-E648 HydrophobicContact CG2-CB 4.07Å; I522-E648 HydrophobicContact CG2-CG 4.04Å; R526-E648 VanDerWaalsContact CD-O 3.27Å; R526-E648 WeakPolarHBondContact CD-O 3.38Å; R526-E648 VanDerWaalsContact CD-OE2 3.32Å; R526-E648 WeakPolarHBondContact CD-OE2 3.3Å; R526-E648 IonicContact CZ-OE2 3.97Å; R526-E648 IonicContact NE-OE2 2.67Å; R526-E648 PolarHBondContact NE-OE2 3.39Å; R526-E648 IonicContact NH2-OE2 2.72Å; F612-E648 HydrophobicContact CE2-CB 4.43Å; F612-E648 HydrophobicContact CZ-CB 4.35Å; F644-E648 HydrophobicContact CE1-CG 4.13Å; F644-E648 HydrophobicContact CE2-CG 4.25Å; F644-E648 HydrophobicContact CZ-CG 3.93Å; F644-E648 PolarHBondContact O-N 2.98Å; I645-E648 PolarHBondContact O-N 2.97Å; I645-E648 VanDerWaalsContact O-N 3.13Å; E646-E648 VanDerWaalsContact C-N 3.29Å; E646-E648 PolarHBondContact O-N 2.83Å; E648-R651 PolarHBondContact O-N 3.42Å; E648-R651 IonicContact OE1-NE 3.13Å
649I92.7Very high88Confident0 Ų049.4 Ų49.40%027%0.265CS..Hα-helixtrans-68-41.2173.1-70.3172.9000110.9F612 I645 E646 R651 L652 A657 F660 R661 L664F612-I649 HydrophobicContact CE1-CG1 4.1Å; F612-I649 HydrophobicContact CZ-CG1 4.01Å; I645-I649 HydrophobicContact CG2-CD1 3.73Å; I645-I649 HydrophobicContact CG2-CG1 4.3Å; I645-I649 WeakPolarHBondContact O-CG1 3.35Å; I645-I649 PolarHBondContact O-N 2.92Å; E646-I649 PolarHBondContact O-N 3.28Å; I649-R651 PolarHBondContact O-N 2.99Å; I649-R651 VanDerWaalsContact O-N 3.15Å; I649-L652 VanDerWaalsContact O-CB 3.31Å; I649-L652 WeakPolarHBondContact O-CB 3.45Å; I649-L652 PolarHBondContact O-N 3.01Å; I649-A657 HydrophobicContact CG2-CB 3.75Å; I649-F660 HydrophobicContact CD1-CB 4.34Å; I649-F660 HydrophobicContact CG1-CB 4.37Å; I649-R661 HydrophobicContact CD1-CG 4.41Å; I649-R661 HydrophobicContact CG2-CG 4.14Å; I649-L664 HydrophobicContact CD1-CD1 3.85Å
650N90.9Very high88.8Confident105 Ų10546.4 Ų46.456%0.56125%0.252SS*.THydrogen-bonded Turntrans-64.9-15.5178-76.6-29.7000113.9E646 L652 R661E646-N650 WeakPolarHBondContact O-CB 3.42Å; E646-N650 VanDerWaalsContact O-CG 3.23Å; E646-N650 PolarHBondContact O-N 3.48Å; E646-N650 PolarHBondContact O-ND2 3.3Å; N650-L652 VanDerWaalsContact C-N 3.3Å; N650-R661 PolarHBondContact OD1-NH2 2.87Å
651R90.6Very high89.1Confident162 Ų16245.7 Ų45.761%0.61124%0.244SC*.THydrogen-bonded Turntrans-84.4-1.7173.3-68.3173.4-176.3-76.20.5113.3S647 E648 I649S647-R651 WeakPolarHBondContact O-CG 3.34Å; E648-R651 PolarHBondContact O-N 3.42Å; E648-R651 IonicContact OE1-NE 3.13Å; I649-R651 PolarHBondContact O-N 2.99Å; I649-R651 VanDerWaalsContact O-N 3.15Å
652L88.4Confident89.2Confident28 Ų2850.1 Ų50.115%0.14727%0.267CS..SBendtrans-94.4164.4176.7-60.8175.4000111.1R526 L529 I649 N650 L656 A657 F660R526-L652 HydrophobicContact CG-CD2 3.72Å; R526-L652 HydrophobicContact CG-CG 4.43Å; L529-L652 HydrophobicContact CB-CD2 4.45Å; L529-L652 HydrophobicContact CD1-CD1 4.04Å; L529-L652 HydrophobicContact CD1-CD2 3.84Å; I649-L652 VanDerWaalsContact O-CB 3.31Å; I649-L652 WeakPolarHBondContact O-CB 3.45Å; I649-L652 PolarHBondContact O-N 3.01Å; N650-L652 VanDerWaalsContact C-N 3.3Å; L652-L656 HydrophobicContact CB-CD2 4.5Å; L652-L656 HydrophobicContact CD1-CD2 4.29Å; L652-L656 HydrophobicContact CD1-CG 4.26Å; L652-L656 HydrophobicContact CD2-CD2 4.18Å; L652-A657 HydrophobicContact CB-CB 4.3Å; L652-F660 HydrophobicContact CD1-CD2 3.44Å; L652-F660 VanDerWaalsContact CD1-CD2 3.44Å; L652-F660 HydrophobicContact CD1-CE2 3.57Å; L652-F660 HydrophobicContact CD1-CG 4.46Å
653D85.9Confident89.4Confident55 Ų5553.7 Ų53.729%0.29428%0.278SS..  trans-60.8144.5169.358.5-53.3000110.9P655 L656 A657D653-P655 VanDerWaalsContact C-CD 3.45Å; D653-P655 VanDerWaalsContact C-N 3.35Å; D653-L656 PolarHBondContact O-N 2.83Å; D653-L656 WeakPolarHBondContact OD1-CB 3.33Å; D653-L656 WeakPolarHBondContact OD1-CD2 3.42Å; D653-A657 WeakPolarHBondContact O-CB 3.35Å; D653-A657 PolarHBondContact O-N 3.08Å
654A83.6Confident89.5Confident75 Ų7550.6 Ų50.662%0.6226%0.256SS*.Hα-helixtrans-52.2-42.5-173.200000114.2T658A654-T658 PolarHBondContact O-N 3.06Å; A654-T658 PolarHBondContact O-OG1 2.88Å
655P86.4Confident89.3Confident64 Ų6451.2 Ų51.242%0.41626%0.264SS..Hα-helixtrans-63.9-44.1177-22.334.9000112.8L532 D653 T658 W659L532-P655 HydrophobicContact CD1-CB 3.98Å; D653-P655 VanDerWaalsContact C-CD 3.45Å; D653-P655 VanDerWaalsContact C-N 3.35Å; P655-T658 PolarHBondContact O-N 3.32Å; P655-W659 PolarHBondContact O-N 3.04Å
656L85.1Confident88.9Confident1 Ų156.1 Ų56.11%0.00529%0.29CS..Hα-helixtrans-70.3-38.7-179.2-173.861.4000111.3L529 L532 L652 D653 W659 F660L529-L656 HydrophobicContact CB-CD2 4.15Å; L529-L656 HydrophobicContact CD1-CD2 4.33Å; L532-L656 HydrophobicContact CD1-CB 4.22Å; L532-L656 HydrophobicContact CD1-CD1 4.26Å; L532-L656 HydrophobicContact CD2-CD1 4.46Å; L532-L656 HydrophobicContact CG-CB 4.38Å; L532-L656 HydrophobicContact CG-CD1 4Å; L652-L656 HydrophobicContact CB-CD2 4.5Å; L652-L656 HydrophobicContact CD1-CD2 4.29Å; L652-L656 HydrophobicContact CD1-CG 4.26Å; L652-L656 HydrophobicContact CD2-CD2 4.18Å; D653-L656 PolarHBondContact O-N 2.83Å; D653-L656 WeakPolarHBondContact OD1-CB 3.33Å; D653-L656 WeakPolarHBondContact OD1-CD2 3.42Å; L656-W659 HydrophobicContact CD1-CE3 4.35Å; L656-W659 WeakPolarHBondContact O-CB 3.37Å; L656-W659 PolarHBondContact O-N 3.48Å; L656-F660 HydrophobicContact CD1-CD2 4.06Å; L656-F660 HydrophobicContact CD1-CE2 3.63Å; L656-F660 HydrophobicContact CD2-CE2 4.1Å; L656-F660 HydrophobicContact CG-CD2 3.88Å; L656-F660 HydrophobicContact CG-CE2 3.61Å; L656-F660 WeakPolarHBondContact O-CD2 3.39Å; L656-F660 PolarHBondContact O-N 3.35Å
657A88.1Confident88.5Confident4 Ų456.2 Ų56.23%0.03329%0.292CS..Hα-helixtrans-58.2-49.1174.200000111.4I649 L652 D653 W659 F660 R661I649-A657 HydrophobicContact CG2-CB 3.75Å; L652-A657 HydrophobicContact CB-CB 4.3Å; D653-A657 WeakPolarHBondContact O-CB 3.35Å; D653-A657 PolarHBondContact O-N 3.08Å; A657-W659 VanDerWaalsContact C-N 3.32Å; A657-W659 PolarHBondContact O-N 3.11Å; A657-F660 PolarHBondContact O-N 2.77Å; A657-R661 WeakPolarHBondContact O-CG 2.97Å; A657-R661 PolarHBondContact O-N 3.32Å
658T87.5Confident87.9Confident71 Ų7156.6 Ų56.644%0.43629%0.29SS..Hα-helixtrans-59.8-41.8175.4-60.10000111.8A654 P655 F660 R661 N662A654-T658 PolarHBondContact O-N 3.06Å; A654-T658 PolarHBondContact O-OG1 2.88Å; P655-T658 PolarHBondContact O-N 3.32Å; T658-F660 PolarHBondContact O-N 2.97Å; T658-R661 PolarHBondContact O-N 3.31Å; T658-N662 PolarHBondContact O-N 3.3Å
659W89.9Confident86.9Confident93 Ų9362 Ų6235%0.35231%0.31SS..Hα-helixtrans-60.3-44.4175.6-177.888.7000112.5L532 R609 L613 P655 L656 A657 R663L532-W659 HydrophobicContact CD1-CB 4.31Å; R609-W659 HydrophobicContact CB-CH2 4.24Å; R609-W659 HydrophobicContact CB-CZ3 4.2Å; R609-W659 HydrophobicContact CG-CZ3 4.36Å; L613-W659 HydrophobicContact CD1-CH2 3.79Å; L613-W659 HydrophobicContact CD1-CZ3 4Å; P655-W659 PolarHBondContact O-N 3.04Å; L656-W659 HydrophobicContact CD1-CE3 4.35Å; L656-W659 WeakPolarHBondContact O-CB 3.37Å; L656-W659 PolarHBondContact O-N 3.48Å; A657-W659 VanDerWaalsContact C-N 3.32Å; A657-W659 PolarHBondContact O-N 3.11Å; W659-R663 HydrophobicContact CH2-CG 4.49Å; W659-R663 VanDerWaalsContact O-CB 3.31Å; W659-R663 WeakPolarHBondContact O-CB 3.29Å; W659-R663 PolarHBondContact O-N 2.96Å
660F92.8Very high84.9Confident0 Ų066.4 Ų66.40%034%0.341CS..Hα-helixtrans-63.8-42.6177.1-84.6-70.8000112.3L529 R609 F612 L613 I649 L652 L656 A657 T658 R663 L664L529-F660 HydrophobicContact CD1-CE2 3.6Å; L529-F660 HydrophobicContact CD1-CZ 3.63Å; L529-F660 HydrophobicContact CD2-CZ 4.13Å; R609-F660 HydrophobicContact CB-CE1 4.48Å; R609-F660 HydrophobicContact CB-CZ 4.2Å; R609-F660 HydrophobicContact CG-CZ 3.95Å; F612-F660 HydrophobicContact CB-CE1 3.91Å; F612-F660 HydrophobicContact CB-CZ 4.28Å; F612-F660 AromaticContact CD1-CD1 3.6Å; F612-F660 HydrophobicContact CD1-CD1 3.6Å; F612-F660 AromaticContact CD1-CE1 3.48Å; F612-F660 HydrophobicContact CD1-CE1 3.48Å; F612-F660 VanDerWaalsContact CD1-CE1 3.48Å; F612-F660 HydrophobicContact CD1-CG 4.4Å; F612-F660 HydrophobicContact CD1-CZ 4.19Å; F612-F660 AromaticContact CE1-CD1 3.97Å; F612-F660 HydrophobicContact CE1-CD1 3.97Å; F612-F660 HydrophobicContact CE1-CE1 4.23Å; F612-F660 HydrophobicContact CE1-CG 4.37Å; F612-F660 HydrophobicContact CG-CD1 4.41Å; F612-F660 AromaticContact CG-CE1 3.85Å; F612-F660 HydrophobicContact CG-CE1 3.85Å; F612-F660 HydrophobicContact CG-CZ 4.21Å; L613-F660 HydrophobicContact CD2-CD1 3.69Å; L613-F660 HydrophobicContact CD2-CE1 4.2Å; L613-F660 HydrophobicContact CG-CD1 3.96Å; L613-F660 HydrophobicContact CG-CE1 3.94Å; I649-F660 HydrophobicContact CD1-CB 4.34Å; I649-F660 HydrophobicContact CG1-CB 4.37Å; L652-F660 HydrophobicContact CD1-CD2 3.44Å; L652-F660 VanDerWaalsContact CD1-CD2 3.44Å; L652-F660 HydrophobicContact CD1-CE2 3.57Å; L652-F660 HydrophobicContact CD1-CG 4.46Å; L656-F660 HydrophobicContact CD1-CD2 4.06Å; L656-F660 HydrophobicContact CD1-CE2 3.63Å; L656-F660 HydrophobicContact CD2-CE2 4.1Å; L656-F660 HydrophobicContact CG-CD2 3.88Å; L656-F660 HydrophobicContact CG-CE2 3.61Å; L656-F660 WeakPolarHBondContact O-CD2 3.39Å; L656-F660 PolarHBondContact O-N 3.35Å; A657-F660 PolarHBondContact O-N 2.77Å; T658-F660 PolarHBondContact O-N 2.97Å; F660-R663 PolarHBondContact O-N 3.01Å; F660-L664 WeakPolarHBondContact O-CB 3.23Å; F660-L664 WeakPolarHBondContact O-CG 3.25Å; F660-L664 PolarHBondContact O-N 3.45Å
661R90.6Very high82.6Confident55 Ų5565.9 Ų65.921%0.20835%0.346CS..Hα-helixtrans-58.8-51.7176.5-72-178.4179.6113.64.4111.9E646 I649 N650 A657 T658 R663 L664 C665E646-R661 IonicContact OE1-NE 3.69Å; E646-R661 IonicContact OE2-CZ 3.46Å; E646-R661 IonicContact OE2-NE 3.11Å; E646-R661 PolarHBondContact OE2-NE 3.44Å; E646-R661 VanDerWaalsContact OE2-NE 3.11Å; E646-R661 IonicContact OE2-NH2 2.85Å; E646-R661 PolarHBondContact OE2-NH2 2.91Å; I649-R661 HydrophobicContact CD1-CG 4.41Å; I649-R661 HydrophobicContact CG2-CG 4.14Å; N650-R661 PolarHBondContact OD1-NH2 2.87Å; A657-R661 WeakPolarHBondContact O-CG 2.97Å; A657-R661 PolarHBondContact O-N 3.32Å; T658-R661 PolarHBondContact O-N 3.31Å; R661-R663 VanDerWaalsContact C-N 3.29Å; R661-R663 PolarHBondContact O-N 3.49Å; R661-L664 PolarHBondContact O-N 2.91Å; R661-C665 WeakPolarHBondContact O-CB 3.47Å; R661-C665 PolarHBondContact O-N 2.76Å
662N88.7Confident79.9Confident94 Ų9465.8 Ų65.850%0.50336%0.357SS..Hα-helixtrans-60.1-42.1178.9-71.1-13.4000111.2T658 C665 L666T658-N662 PolarHBondContact O-N 3.3Å; N662-C665 PolarHBondContact O-N 3.24Å; N662-L666 WeakPolarHBondContact O-CG 2.87Å; N662-L666 PolarHBondContact O-N 2.77Å; N662-L666 VanDerWaalsContact O-N 3.12Å
663R91.5Very high77.3Confident116 Ų11670.3 Ų70.344%0.43838%0.378SS..Hα-helixtrans-71-36.6-179.2-169.257.1174.6-1783.2113L613 W659 F660 R661 L667L613-R663 HydrophobicContact CD1-CB 4.32Å; L613-R663 HydrophobicContact CD1-CG 3.48Å; L613-R663 VanDerWaalsContact CD1-CG 3.48Å; L613-R663 HydrophobicContact CD2-CB 4.01Å; L613-R663 HydrophobicContact CD2-CG 3.88Å; L613-R663 HydrophobicContact CG-CG 4.34Å; W659-R663 HydrophobicContact CH2-CG 4.49Å; W659-R663 VanDerWaalsContact O-CB 3.31Å; W659-R663 WeakPolarHBondContact O-CB 3.29Å; W659-R663 PolarHBondContact O-N 2.96Å; F660-R663 PolarHBondContact O-N 3.01Å; R661-R663 VanDerWaalsContact C-N 3.29Å; R661-R663 PolarHBondContact O-N 3.49Å; R663-L667 HydrophobicContact CG-CD1 4.33Å; R663-L667 WeakPolarHBondContact O-CB 3.48Å; R663-L667 VanDerWaalsContact O-CG 3.27Å; R663-L667 WeakPolarHBondContact O-CG 3.43Å; R663-L667 PolarHBondContact O-N 2.85Å; R663-L667 VanDerWaalsContact O-N 3.07Å
664L89.6Confident74.8Confident1 Ų174.1 Ų74.11%0.00540%0.403CS..Hα-helixtrans-67.1-42.4174.1-77.1173.8000111.8L613 A616 I645 I649 F660 R661 L666 L667 L668L613-L664 HydrophobicContact CD2-CD2 3.74Å; L613-L664 HydrophobicContact CD2-CG 3.74Å; A616-L664 HydrophobicContact CB-CD1 4.25Å; A616-L664 HydrophobicContact CB-CD2 3.81Å; I645-L664 HydrophobicContact CG2-CD1 4Å; I649-L664 HydrophobicContact CD1-CD1 3.85Å; F660-L664 WeakPolarHBondContact O-CB 3.23Å; F660-L664 WeakPolarHBondContact O-CG 3.25Å; F660-L664 PolarHBondContact O-N 3.45Å; R661-L664 PolarHBondContact O-N 2.91Å; L664-L666 PolarHBondContact O-N 3.07Å; L664-L667 PolarHBondContact O-N 2.89Å; L664-L667 VanDerWaalsContact O-N 3.14Å; L664-L668 WeakPolarHBondContact O-CG 3.21Å; L664-L668 PolarHBondContact O-N 2.9Å
665C86.9Confident72.2Confident48 Ų4875 Ų7532%0.32441%0.405SS..Hα-helixtrans-54.2-52.9174.1-1750000110.5R661 N662 L667 L668 Y669R661-C665 WeakPolarHBondContact O-CB 3.47Å; R661-C665 PolarHBondContact O-N 2.76Å; N662-C665 PolarHBondContact O-N 3.24Å; C665-L667 VanDerWaalsContact C-N 3.31Å; C665-L667 PolarHBondContact O-N 3.43Å; C665-L668 PolarHBondContact O-N 3.44Å; C665-Y669 WeakPolarHBondContact O-CD2 3.39Å; C665-Y669 PolarHBondContact O-N 3.04Å
666L84.2Confident69.3Low105 Ų10575 Ų7555%0.5540%0.401SS..Hα-helixtrans-58.1-40.5176.3-68172.6000113N662 L664 L668 S670N662-L666 WeakPolarHBondContact O-CG 2.87Å; N662-L666 PolarHBondContact O-N 2.77Å; N662-L666 VanDerWaalsContact O-N 3.12Å; L664-L666 PolarHBondContact O-N 3.07Å; L666-L668 VanDerWaalsContact C-N 3.3Å; L666-L668 PolarHBondContact O-N 3.27Å; L666-S670 WeakPolarHBondContact O-CB 3.36Å; L666-S670 PolarHBondContact O-N 3.08Å; L666-S670 VanDerWaalsContact O-N 3.14Å
667L81.9Confident66.6Low43 Ų4379.9 Ų79.923%0.22543%0.431CS..Hα-helixtrans-71.1-22.1-178.8-75.9172000114.3L613 R617 R663 L664 C665L613-L667 HydrophobicContact CB-CD1 4.08Å; L613-L667 HydrophobicContact CD1-CD1 4.48Å; L613-L667 HydrophobicContact CD2-CD1 4.23Å; R617-L667 PolarHBondContact NE-O 2.91Å; R663-L667 HydrophobicContact CG-CD1 4.33Å; R663-L667 WeakPolarHBondContact O-CB 3.48Å; R663-L667 VanDerWaalsContact O-CG 3.27Å; R663-L667 WeakPolarHBondContact O-CG 3.43Å; R663-L667 PolarHBondContact O-N 2.85Å; R663-L667 VanDerWaalsContact O-N 3.07Å; L664-L667 PolarHBondContact O-N 2.89Å; L664-L667 VanDerWaalsContact O-N 3.14Å; C665-L667 VanDerWaalsContact C-N 3.31Å; C665-L667 PolarHBondContact O-N 3.43Å
668L79.6Confident63.6Low56 Ų5688.2 Ų88.229%0.29347%0.469SS..Hα-helixtrans-93.2-33.1179-66.5169.1000112.2R617 L620 T621 L664 C665 L666R617-L668 HydrophobicContact CG-CD2 4.35Å; L620-L668 HydrophobicContact CB-CD2 4.31Å; L620-L668 HydrophobicContact CD1-CD1 3.67Å; T621-L668 HydrophobicContact CG2-CD2 4.28Å; L664-L668 WeakPolarHBondContact O-CG 3.21Å; L664-L668 PolarHBondContact O-N 2.9Å; C665-L668 PolarHBondContact O-N 3.44Å; L666-L668 VanDerWaalsContact C-N 3.3Å; L666-L668 PolarHBondContact O-N 3.27Å
669Y71.1Confident60.6Low126 Ų12695 Ų9549%0.49449%0.486SS..Hα-helixtrans-104.72.2-174-62.6-73.9000115C665 S671C665-Y669 WeakPolarHBondContact O-CD2 3.39Å; C665-Y669 PolarHBondContact O-N 3.04Å; Y669-S671 PolarHBondContact O-N 2.94Å
670S50.3Low57.6Low93 Ų9396.2 Ų96.265%0.6550%0.499SS*.  trans-70.59.6-178.7174.10000115.8L666 N672L666-S670 WeakPolarHBondContact O-CB 3.36Å; L666-S670 PolarHBondContact O-N 3.08Å; L666-S670 VanDerWaalsContact O-N 3.14Å; S670-N672 PolarHBondContact O-N 2.95Å
671S41.6Very low54.5Low94 Ų94101.1 Ų101.166%0.65753%0.528SS*.  trans-81.8102.3172.547.80000110.6Y669 E673Y669-S671 PolarHBondContact O-N 2.94Å; S671-E673 PolarHBondContact O-N 3.16Å
672N34.1Very low51.5Low159 Ų159107.6 Ų107.685%0.8556%0.558SS**  trans-65.163.5168.8-75-17.1000112.5S670S670-N672 PolarHBondContact O-N 2.95Å
673E34.2Very low48.6Very low124 Ų124110 Ų11058%0.57957%0.571SS**  trans-9991.8154.8-79.7-175.4-173.700107.8S671 S675 N676S671-E673 PolarHBondContact O-N 3.16Å; E673-S675 PolarHBondContact O-N 3.38Å; E673-N676 PolarHBondContact O-N 3.3Å; E673-N676 PolarHBondContact OE2-ND2 2.9Å
674T32.7Very low45.6Very low135 Ų135109.1 Ų109.183%0.82858%0.575SS**THydrogen-bonded Turntrans-59.3-6.1171.441.80000113.2
675S29.7Very low42.8Very low94 Ų94112.3 Ų112.366%0.65760%0.597SS**THydrogen-bonded Turntrans-91.4-9.2178.856.10000115.4E673E673-S675 PolarHBondContact O-N 3.38Å
676N25.6Very low40.2Very low63 Ų63112 Ų11234%0.33759%0.589SS.*  trans-117.19.6-173.5-82.4-39.8000116E673 H678 R679E673-N676 PolarHBondContact O-N 3.3Å; E673-N676 PolarHBondContact OE2-ND2 2.9Å; N676-H678 PolarHBondContact O-N 3.44Å; N676-H678 VanDerWaalsContact O-N 3.08Å; N676-R679 PolarHBondContact O-N 2.91Å; N676-R679 VanDerWaalsContact O-N 3.11Å
677V27.8Very low37.6Very low103 Ų103113.4 Ų113.462%0.62460%0.598SS**THydrogen-bonded Turntrans-58.4-26178.2-179.70000112.4
678H26.3Very low35Very low179 Ų179117.9 Ų117.983%0.82962%0.62SS**THydrogen-bonded Turntrans-88.2-8179.6-87.366.7000115.9N676N676-H678 PolarHBondContact O-N 3.44Å; N676-H678 VanDerWaalsContact O-N 3.08Å
679R23.2Very low32.5Very low215 Ų215121.8 Ų121.881%0.81164%0.641SS**THydrogen-bonded Turntrans-109.6-8.3-173.4-135.9-176.8-74.8-155.60.4116.2N676N676-R679 PolarHBondContact O-N 2.91Å; N676-R679 VanDerWaalsContact O-N 3.11Å
680I27.4Very low30.4Very low118 Ų118121.3 Ų121.361%0.60565%0.646SS**SBendtrans-112.38.5-176.3-54.4177.5000113K682I680-K682 VanDerWaalsContact C-N 3.27Å; I680-K682 PolarHBondContact O-N 3.19Å
681T27.6Very low29.2Very low102 Ų102121.1 Ų121.163%0.62665%0.645SS**THydrogen-bonded Turntrans-75.7-3.8177.649.30000115
682K28.1Very low28.5Very low192 Ų192122.7 Ų122.784%0.83565%0.646SS**THydrogen-bonded Turntrans-97.7-17-176.3-78.6-171.6175.1-178.70117I680I680-K682 VanDerWaalsContact C-N 3.27Å; I680-K682 PolarHBondContact O-N 3.19Å
683N27.3Very low28.1Very low143 Ų143123.7 Ų123.777%0.76565%0.645SS**SBendtrans-13629.4-162.8-92.25.2000118
684N29.3Very low27.5Very low99 Ų99125.4 Ų125.453%0.52966%0.657SS.*  trans-143.1123.2172.1-86.8-45.3000114.6W686N684-W686 PolarHBondContact O-N 2.74Å
685S30.9Very low26.9Very low68 Ų68124.7 Ų124.748%0.47666%0.655SS.*THydrogen-bonded Turntrans-6315-173.557.50000116.7
686W32.2Very low26.7Very low41 Ų41126.8 Ų126.816%0.15566%0.664CS.*THydrogen-bonded Turntrans-87.9-20.8177.6-87.580.1000113.4N642 E646 N684 I688 L690N642-W686 PolarHBondContact OD1-NE1 3.36Å; N642-W686 VanDerWaalsContact OD1-NE1 3.16Å; E646-W686 WeakPolarHBondContact OE1-CH2 3.42Å; N684-W686 PolarHBondContact O-N 2.74Å; W686-I688 VanDerWaalsContact C-N 3.32Å; W686-I688 PolarHBondContact O-N 3.41Å; W686-L690 HydrophobicContact CE3-CD1 4.12Å
687N27.8Very low26.6Very low135 Ų135131.1 Ų131.172%0.72269%0.687SS**THydrogen-bonded Turntrans-75.8-16.9174.4-80-13.5000113.9
688I28.5Very low26.3Very low136 Ų136132.6 Ų132.670%0.69770%0.696SS**THydrogen-bonded Turntrans-93.5-17.8-174.9-61.8178000112.9W686W686-I688 VanDerWaalsContact C-N 3.32Å; W686-I688 PolarHBondContact O-N 3.41Å
689L27.4Very low26.1Very low138 Ų138133.6 Ų133.672%0.72370%0.698SS**THydrogen-bonded Turntrans-105.5-5.8-174.4-89.2150.7000115.5
690L25.9Very low25.9Very low116 Ų116131.5 Ų131.561%0.60770%0.697SS**SBendtrans-88.6-4.1178.1-90.3153.5000114.6W686W686-L690 HydrophobicContact CE3-CD1 4.12Å
691S26.4Very low25.5Very low89 Ų89130.5 Ų130.562%0.62270%0.701SS**SBendtrans-90.7-11.5178.668.10000115.4
692N26.1Very low25.1Very low127 Ų127135.9 Ų135.968%0.67971%0.711SS**SBendtrans-119.39.6-163.5-754.3000117.3
693H25.3Very low24.8Very low181 Ų181130.6 Ų130.684%0.83870%0.703SS**  trans-138.364.5174-83.6-64.1000112.3
694L22Very low24.5Very low160 Ų160130.2 Ų130.284%0.83871%0.706SS**  trans-93.9124.2150-144.975.5000106.6T696L694-T696 PolarHBondContact O-N 3.45Å
695P21Very low24.2Very low120 Ų120131.7 Ų131.778%0.77972%0.721SS**  trans-69.1109.1-178.911.1-1.6000108.2
696T25.3Very low23.7Very low138 Ų138133.8 Ų133.885%0.84774%0.736SS**  trans-72.2129.2164.639.40000108.4L694L694-T696 PolarHBondContact O-N 3.45Å
697D23.2Very low23.1Very low154 Ų154138.8 Ų138.882%0.82477%0.766SS**  trans-50.8144.3-177.2-77-53.6000113.7K699D697-K699 PolarHBondContact O-N 3.34Å
698V21Very low22.8Very low134 Ų134138 Ų13881%0.81277%0.766SS**  trans-44.999.7167.41800000110.4
699K22.8Very low22.5Very low199 Ų199140.2 Ų140.287%0.86577%0.773SS**  trans-123.9108.9153-79.9-170.6177.7179.60108.9D697D697-K699 PolarHBondContact O-N 3.34Å
700Q19Very low22.1Very low172 Ų172138.5 Ų138.580%0.80478%0.779SS**  trans-54.3151.4167.7-70.4166.3-34.700110.9
701S18.2Very low21.9Very low97 Ų97140.2 Ų140.268%0.67879%0.788SS**  trans105.2122.9142.583.60000118.3
702Y20.5Very low21.6Very low215 Ų215140.8 Ų140.884%0.84380%0.798SS**  trans82.5105.1156.6-54.9-68.4000121.1
703A20.9Very low21.4Very low81 Ų81142.7 Ų142.767%0.66981%0.807SS**  68.8108.8121.300000121
704T21.7Very low21Very low135 Ų135138.8 Ų138.883%0.82880%0.801SS**  trans66.6135134.255.50000120.9
705P21.3Very low20.9Very low129 Ų129135.9 Ų135.984%0.83879%0.794SS**  trans-98.4141.2-170.438-29.7000112.7
706S21.1Very low21Very low112 Ų112136.7 Ų136.778%0.78380%0.797SS**  trans-138.5112.916358.10000110
707N20.4Very low20.7Very low146 Ų146134.5 Ų134.578%0.78179%0.787SS**  trans26.8138.5139.5-71.6-14.4000121.1
708T21.5Very low20.7Very low120 Ų120132.3 Ų132.374%0.73678%0.781SS**  trans65.6106.4145.853.40000117
709E22.4Very low20.7Very low181 Ų181135.7 Ų135.785%0.84678%0.781SS**  175.8134.1106.7-93.2170.9-170.400110.9L711E709-L711 PolarHBondContact O-N 2.95Å
710A18.5Very low20.6Very low103 Ų103133.9 Ų133.985%0.85178%0.779SS**  trans-75.9116.2172.600000109.1
711L22Very low20.8Very low152 Ų152131.2 Ų131.280%0.79678%0.775SS**  trans-121108.9166-86.6162.7000109.2E709 L713E709-L711 PolarHBondContact O-N 2.95Å; L711-L713 PolarHBondContact O-N 3.47Å
712A18.9Very low20.8Very low100 Ų100132.1 Ų132.183%0.82678%0.779SS**  trans-65.1115165.900000109
713L22.1Very low20.9Very low167 Ų167127.6 Ų127.687%0.87478%0.776SS**  trans-118.1106.4162-79.4170.3000108.5L711L711-L713 PolarHBondContact O-N 3.47Å
714S18Very low21Very low99 Ų99130 Ų13069%0.69278%0.783SS**  trans-63.7157.7165.251.80000111.6
715S20Very low20.9Very low99 Ų99134 Ų13469%0.69279%0.785SS**  trans61.2101.7154.363.70000117.3
716T21.8Very low21Very low137 Ų137134.3 Ų134.384%0.8478%0.779SS**  173.4120.7104.433.90000109.4
717S20.1Very low21.2Very low92 Ų92137.4 Ų137.464%0.64378%0.779SS**  trans-72.3125.3172.5168.10000109.8
718P22.5Very low21.4Very low109 Ų109137 Ų13771%0.70878%0.777SS**  trans-91.499.8163.432.2-22.6000108.1I720P718-I720 PolarHBondContact O-N 2.81Å
719Y21Very low21.5Very low204 Ų204138.6 Ų138.680%0.878%0.779SS**  trans-60.6101.7161.5-85.5-98.5000108.6T721Y719-T721 PolarHBondContact O-N 3.42Å
720I21.3Very low21.5Very low161 Ų161135 Ų13583%0.82677%0.773SS**  trans-82.494.4166.1-62177000106.8P718P718-I720 PolarHBondContact O-N 2.81Å
721T21.9Very low21.8Very low117 Ų117139.5 Ų139.572%0.71877%0.774SS**  trans-69.1131.5168.639.60000109.7Y719Y719-T721 PolarHBondContact O-N 3.42Å
722C18.7Very low21.9Very low115 Ų115138.2 Ų138.278%0.77777%0.772SS**  trans-63.9133.8174.3-168.30000109.3T724C722-T724 PolarHBondContact O-N 3.28Å; C722-T724 VanDerWaalsContact O-N 3.15Å
723P22.7Very low22.1Very low120 Ų120142.3 Ų142.378%0.77977%0.774SS**  trans-73.1111.7-1726.75000110.5Y725P723-Y725 PolarHBondContact O-N 3.37Å
724T23.2Very low22.3Very low133 Ų133143.8 Ų143.882%0.81677%0.774SS**  trans-69.3122.8163.836.10000109.1C722 N726C722-T724 PolarHBondContact O-N 3.28Å; C722-T724 VanDerWaalsContact O-N 3.15Å; T724-N726 PolarHBondContact O-N 3.1Å
725Y20.5Very low22.5Very low218 Ų218144 Ų14486%0.85578%0.775SS**  trans-69.888.5-174.6-150.7-96.2000110.1P723 K727P723-Y725 PolarHBondContact O-N 3.37Å; Y725-K727 PolarHBondContact O-N 3.09Å
726N23.1Very low22.9Very low135 Ų135147.2 Ų147.272%0.72278%0.784SS**  trans-89.3108.2-179.4-146.3-2.5000110.2T724 N728T724-N726 PolarHBondContact O-N 3.1Å; N726-N728 VanDerWaalsContact C-N 3.31Å; N726-N728 PolarHBondContact O-N 3.37Å
727K24.3Very low23Very low177 Ų177144 Ų14477%0.7778%0.779SS**  trans-71.383.5173.8-81.2180173177.60109.5Y725 I729Y725-K727 PolarHBondContact O-N 3.09Å; K727-I729 PolarHBondContact O-N 3.29Å
728N24.2Very low23.4Very low139 Ų139148.5 Ų148.574%0.74379%0.792SS**  trans-8099.2165.9-78.4-19.7000109.1N726 S730N726-N728 VanDerWaalsContact C-N 3.31Å; N726-N728 PolarHBondContact O-N 3.37Å; N728-S730 PolarHBondContact O-N 3.45Å
729I23.3Very low23.4Very low153 Ų153150.2 Ų150.279%0.78580%0.795SS**  trans-64.9108.4164.8-71.9169.4000107.1K727 K731K727-I729 PolarHBondContact O-N 3.29Å; I729-K731 PolarHBondContact O-N 2.65Å; I729-K731 VanDerWaalsContact O-N 3.11Å
730S23.6Very low23.9Very low104 Ų104147.7 Ų147.773%0.72780%0.796SS**  trans-60.7102.4172.747.80000110.4N728 V732N728-S730 PolarHBondContact O-N 3.45Å; S730-V732 PolarHBondContact O-N 2.77Å
731K23.7Very low24.1Very low198 Ų198145.7 Ų145.786%0.86179%0.791SS**  trans-78112.2159.5-85.9-177.5175.5178.60107.7I729 E733I729-K731 PolarHBondContact O-N 2.65Å; I729-K731 VanDerWaalsContact O-N 3.11Å; K731-E733 PolarHBondContact O-N 2.93Å
732V24.7Very low24.1Very low126 Ų126147.1 Ų147.176%0.76479%0.794SS**  trans-68.7117.4173.1171.70000108.4S730 K734S730-V732 PolarHBondContact O-N 2.77Å; V732-K734 PolarHBondContact O-N 2.78Å
733E22.8Very low24.6Very low185 Ų185147.3 Ų147.386%0.86480%0.796SS**  trans-60.7119.7170.5-65.7172.7157.400109.4K731K731-E733 PolarHBondContact O-N 2.93Å
734K26.7Very low24.5Very low199 Ų199146.9 Ų146.987%0.86580%0.796SS**  trans-113.298.4158-84-173.3175.9-179.10107.4V732V732-K734 PolarHBondContact O-N 2.78Å
735S22.5Very low24.8Very low104 Ų104149.3 Ų149.373%0.72780%0.796SS**  trans-59.4129160.951.70000110.4
736N28.4Very low25.2Very low165 Ų165145.9 Ų145.988%0.88279%0.792SS**  trans-178.3105.8153.3-83-15.7000102.8
737G23.7Very low25.1Very low70 Ų70146.9 Ų146.972%0.72280%0.796SS**  79.376.952.300000108.9
738M28.2Very low25.1Very low186 Ų186143.3 Ų143.392%0.91679%0.793SS**  trans-171.9126.8146.8-130.466.6171.100110.9
739D23.8Very low25.2Very low145 Ų145142 Ų14278%0.77580%0.795SS**  trans-64.8149.5170.5-56.7-65.1000112
740D29.7Very low25.3Very low152 Ų152143.6 Ų143.681%0.81380%0.799SS**  trans175.4105.1138.6-87.4-26.5000109.3
741V26Very low25.2Very low119 Ų119147.6 Ų147.672%0.72181%0.806SS**  75107.397.4176.80000114.2
742N22.3Very low25.3Very low147 Ų147146.9 Ų146.979%0.78681%0.806SS**  trans34.2121.4140.6-69.1-28.8000119.2
743S28Very low25.2Very low119 Ų119152.7 Ų152.783%0.83281%0.814SS**  178.7129.994.345.10000111.3
744S21.1Very low25.2Very low111 Ų111153.8 Ų153.878%0.77681%0.812SS**  trans-49.8146.4162.8-48.10000112.2
745K29.6Very low25Very low184 Ų184152.1 Ų152.180%0.881%0.807SS**  -175.1130.8121.5-100.1167.7-175-175.30113.1
746D28.3Very low25.1Very low145 Ų145156 Ų15678%0.77581%0.814SS**  trans76.492.8140.1-54.5-22.1000119.5
747I22.3Very low25.1Very low157 Ų157158 Ų15881%0.80582%0.815SS**  trans-78.5146.2156.3-59.4170.3000108.3
748S23Very low25.1Very low102 Ų102158.1 Ų158.171%0.71382%0.815SS**  trans81106151.721.20000118.7
749S26.9Very low24.8Very low111 Ų111153.9 Ų153.978%0.77681%0.81SS**  trans-155.7102.2144.6-68.80000110.5
750Q25.8Very low25Very low187 Ų187156.3 Ų156.387%0.87482%0.816SS**  trans64.593135.3-67.91600.700119.2
751Q21.3Very low24.6Very low187 Ų187156.6 Ų156.687%0.87482%0.818SS**  trans-64.8132.1138.3-77.2158.2-29.400109.7
752Q25.7Very low24.6Very low184 Ų184156.5 Ų156.586%0.8682%0.823SS**  trans155.7107.5141.6-86.8172.620.500110.6
753R24Very low24.4Very low247 Ų247157.4 Ų157.493%0.93283%0.827SS**  -178.7136119.1-100.7178.6-139.8-169.15.3111.9
754Y22.4Very low24.4Very low208 Ų208160.5 Ų160.582%0.81683%0.827SS**  trans-69.2146177.6-83.8-104.7000113.1
755E22.3Very low24.4Very low164 Ų164160 Ų16077%0.76682%0.823SS**  trans37.6123135.5-60.3175.6173.800120.2
756Q23.3Very low24.2Very low186 Ų186159.5 Ų159.587%0.86983%0.829SS**  175155128.9-97.417125.100112.2
757K29.6Very low23.9Very low208 Ų208155.9 Ų155.990%0.90483%0.826SS**  trans94.8116.3171.5-55.1175.9-179.4-178.90113.8
758G22.3Very low24.1Very low71 Ų71158 Ų15873%0.73283%0.833SS**  cis108.19422.200000110.3
759A22.2Very low24Very low98 Ų98162.2 Ų162.281%0.8184%0.841SS**  trans35119.1154.400000120.7
760H28.5Very low23.9Very low196 Ų196164.8 Ų164.891%0.90785%0.845SS**  trans-132129150.4-93.7-79.2000110.9
761N21.2Very low23.7Very low157 Ų157160.6 Ų160.684%0.8484%0.836SS**  trans-59.6148.4175.3-64.6-39.1000113.1
762S26Very low23.7Very low118 Ų118160 Ų16083%0.82583%0.831SS**  -167.3111.8125.1-133.60000111.2
763L19.5Very low23.8Very low166 Ų166159.4 Ų159.487%0.86983%0.834SS**  trans-79.2133.8161.5-111.799.3000107.9
764H26Very low23.8Very low184 Ų184154.6 Ų154.685%0.85283%0.827SS**  trans-134122.9155.4-127.4-79.8000108.8
765S22.3Very low23.9Very low99 Ų99149.6 Ų149.669%0.69283%0.829SS**  trans-96.4130-179.8160.70000109.2
766L24.3Very low24Very low174 Ų174146.9 Ų146.991%0.91183%0.828SS**  trans-149.5119.2152.4-78.5177.7000107.7
767G22.3Very low24.1Very low70 Ų70143.6 Ų143.672%0.72283%0.825SS**  trans-100.9154.3168.300000110.2
768E27.3Very low23.8Very low202 Ų202138.4 Ų138.494%0.94482%0.815SS**  trans-145.9129.4159.4-104.1175.9-173.800108.5
769E21Very low23.9Very low189 Ų189140.1 Ų140.188%0.88382%0.816SS**  trans-77.3152.5-177.1-57.8172.6141.300111.1
770L24.7Very low24Very low166 Ų166142.2 Ų142.287%0.86981%0.812SS**  trans-164.7106.2146.3-99.4169.8000111.9
771S22.4Very low23.8Very low98 Ų98141.3 Ų141.369%0.68581%0.806SS**  trans52.4105.813764.30000123
772F20.1Very low23.9Very low176 Ų176140.8 Ų140.877%0.77280%0.801SS**  14.2127129.8-80.9-93.9000120.5
773N27.6Very low23.9Very low170 Ų170139.8 Ų139.891%0.90979%0.792SS**  -154.3125.8121.2-100.2-24.2000111.5
774N23.9Very low24.2Very low146 Ų146137.7 Ų137.778%0.78179%0.788SS**  trans-75.3127.1177.6-78.8-36.9000110.8
775A25.5Very low24Very low104 Ų104136.2 Ų136.286%0.8679%0.785SS**  trans-131.5109.814900000107.8
776S24Very low24.2Very low107 Ų107136.7 Ų136.775%0.74879%0.785SS**  trans-74.8157.3178.947.50000113
777S24.5Very low24.3Very low117 Ų117133.7 Ų133.782%0.81878%0.777SS**  trans78.2134.8163.985.90000115
778S25Very low24.4Very low98 Ų98136.2 Ų136.269%0.68578%0.78SS**  cis-151.9107.47.143.90000107.1I780S778-I780 VanDerWaalsContact C-N 3.34Å; S778-I780 PolarHBondContact O-N 2.64Å; S778-I780 VanDerWaalsContact O-N 3.09Å
779S23.4Very low24.2Very low107 Ų107137.8 Ų137.875%0.74878%0.777SS**  trans-74.296.1162.346.90000106.8K781S779-K781 PolarHBondContact O-N 3.37Å
780I25.4Very low24.3Very low143 Ų143139.2 Ų139.273%0.73378%0.775SS**  trans-6490.3158.3-66.4175.6000105.2S778 I782S778-I780 VanDerWaalsContact C-N 3.34Å; S778-I780 PolarHBondContact O-N 2.64Å; S778-I780 VanDerWaalsContact O-N 3.09Å; I780-I782 VanDerWaalsContact C-N 3.31Å; I780-I782 HydrophobicContact CG2-CG1 4.45Å; I780-I782 PolarHBondContact O-N 3.1Å
781K23.2Very low24.2Very low177 Ų177138.5 Ų138.577%0.7777%0.771SS**  trans-60.7100.5162.6-75.3-178.9176.4178.50105.7S779 P783S779-K781 PolarHBondContact O-N 3.37Å; K781-P783 WeakPolarHBondContact O-CD 3.37Å; K781-P783 VanDerWaalsContact O-N 3.14Å
782I23.7Very low24.2Very low145 Ų145139.1 Ų139.174%0.74477%0.771SS**  trans-62.1111.8162.9-62.4171.5000105.1I780I780-I782 VanDerWaalsContact C-N 3.31Å; I780-I782 HydrophobicContact CG2-CG1 4.45Å; I780-I782 PolarHBondContact O-N 3.1Å
783P25.3Very low24.4Very low97 Ų97137.7 Ų137.763%0.6377%0.77SS**PPolyproline II helixtrans-63.6143.2175.327.3-32.1000108.4K781 I785K781-P783 WeakPolarHBondContact O-CD 3.37Å; K781-P783 VanDerWaalsContact O-N 3.14Å; P783-I785 PolarHBondContact O-N 3.38Å; P783-I785 VanDerWaalsContact O-N 3.16Å
784P25.6Very low24.2Very low122 Ų122133.8 Ų133.879%0.79276%0.756SS**PPolyproline II helixtrans-56.4125.317424.1-32000108.7P786P784-P786 WeakPolarHBondContact O-CD 3.49Å; P784-P786 VanDerWaalsContact O-N 3.17Å
785I23.2Very low24.2Very low154 Ų154135.3 Ų135.379%0.7976%0.764SS**PPolyproline II helixtrans-56119.9174.5-64.3168000107.2P783P783-I785 PolarHBondContact O-N 3.38Å; P783-I785 VanDerWaalsContact O-N 3.16Å
786P25.4Very low24.2Very low108 Ų108134.7 Ų134.770%0.70175%0.753SS**PPolyproline II helixtrans-63.2136.7177.722.8-30.1000109.6P784P784-P786 WeakPolarHBondContact O-CD 3.49Å; P784-P786 VanDerWaalsContact O-N 3.17Å
787P27.8Very low24.3Very low112 Ų112137.9 Ų137.973%0.72776%0.757SS**PPolyproline II helixtrans-58.5150.8-179.923-32.3000111.2R789P787-R789 PolarHBondContact O-N 3.4Å
788P24Very low24.2Very low123 Ų123140.8 Ų140.880%0.79976%0.762SS**PPolyproline II helixtrans-55.5129.4-177.322.6-31.9000109.8R790P788-R790 PolarHBondContact O-N 3.24Å
789R23.4Very low24.2Very low234 Ų234142.6 Ų142.688%0.88377%0.768SS**  trans-50.698.6-173.7-149.3179.8-71.8172.8-3109.6P787 L791P787-R789 PolarHBondContact O-N 3.4Å; R789-L791 PolarHBondContact O-N 2.84Å
790R22.7Very low24.3Very low219 Ų219144.5 Ų144.583%0.82677%0.77SS**  trans-66104173.8-168.4179.5-160.4171.94.8106.3P788 T792P788-R790 PolarHBondContact O-N 3.24Å; R790-T792 HydrophobicContact CB-CG2 4.46Å; R790-T792 HydrophobicContact CG-CG2 3.99Å; R790-T792 PolarHBondContact O-N 3.4Å
791L22.4Very low24.3Very low151 Ų151144.2 Ų144.279%0.79177%0.77SS**  trans-66.488166.6-70.7171.6000107R789 I793R789-L791 PolarHBondContact O-N 2.84Å; L791-I793 VanDerWaalsContact C-N 3.25Å; L791-I793 PolarHBondContact O-N 3.19Å
792T22.1Very low24.5Very low112 Ų112147.4 Ų147.469%0.68778%0.779SS**  trans-73.285.2168.350.10000107.1R790 S794R790-T792 HydrophobicContact CB-CG2 4.46Å; R790-T792 HydrophobicContact CG-CG2 3.99Å; R790-T792 PolarHBondContact O-N 3.4Å; T792-S794 PolarHBondContact O-N 3.38Å
793I23.9Very low24.5Very low146 Ų146150.4 Ų150.475%0.74979%0.787SS**  trans-81.1110.2159-59.7177.1000104.9L791 N795L791-I793 VanDerWaalsContact C-N 3.25Å; L791-I793 PolarHBondContact O-N 3.19Å; I793-N795 PolarHBondContact O-N 3.25Å
794S23.2Very low24.5Very low87 Ų87154.6 Ų154.661%0.60880%0.795SS**  trans-56.1122176.139.70000109.9T792 S796T792-S794 PolarHBondContact O-N 3.38Å; S794-S796 PolarHBondContact O-N 3.26Å
795N24.5Very low24.5Very low178 Ų178155.1 Ų155.195%0.95279%0.791SS**SBendtrans-69.655.7171.8-79.8-21.1000111.5I793I793-N795 PolarHBondContact O-N 3.25Å
796S25.5Very low24.5Very low91 Ų91152.1 Ų152.164%0.63678%0.784SS**  trans-133.618.3-17964.70000113.6S794S794-S796 PolarHBondContact O-N 3.26Å
797E25.3Very low24.6Very low175 Ų175153.2 Ų153.282%0.81879%0.789SS**SBendtrans-149.290.9169.2-67.3-174.6175.300107.2
798L23.7Very low24.4Very low177 Ų177158.7 Ų158.793%0.92780%0.795SS**SBendtrans171.346.6154.9-88.5179000108.7
799V25.4Very low24.7Very low136 Ų136157.7 Ų157.782%0.82479%0.791SS**  trans-134.287.1158.91790000104.3
800N25.4Very low24.8Very low147 Ų147155.1 Ų155.179%0.78679%0.789SS**  trans-176.8150.2150.4-85.7-21.4000107.5
801D25.2Very low25.2Very low138 Ų138154.5 Ų154.574%0.73879%0.792SS**  trans8259.4169.7-53.1-17.2000117.1
802Y25.7Very low25.4Very low244 Ų244154 Ų15496%0.95779%0.79SS**  -150.768.8129-83.9-68.7000109.7
803K23.9Very low25.8Very low207 Ų207156.4 Ų156.490%0.980%0.799SS**  trans-119.999.6152.2-85.7-173.6177.2179.30107.2
804K26.9Very low25.8Very low185 Ų185154 Ų15480%0.80480%0.795SS**  trans-130.5106.7156.7-91.7-176.3173.41760104.8
805D25.4Very low26.1Very low134 Ų134156.8 Ų156.872%0.71780%0.802SS**  72.295.6101.3-71.5-30.1000109.9
806S23.2Very low26.3Very low91 Ų91155.3 Ų155.364%0.63679%0.794SS**  91.7143.679.676.30000111.7
807T26.8Very low26.2Very low130 Ų130154.2 Ų154.280%0.79880%0.797SS**  trans78.1132.2175.283.40000113.4
808R24.1Very low26.4Very low227 Ų227151.8 Ų151.886%0.85780%0.796SS**  cis-172.415125.7-162.6163.6176.9160.9-4.3109.1
809S30.6Very low26.5Very low102 Ų102147.6 Ų147.671%0.71379%0.787SS**  trans61.4101.6160.958.90000116.5
810E24.2Very low26.7Very low180 Ų180146.3 Ų146.384%0.84179%0.791SS**  40.598.865.5-73.4-178.3179.200112.9
811K30.9Very low26.6Very low207 Ų207146.3 Ų146.390%0.979%0.789SS**  trans-147.7108.7136-109.3178-174.81800109.1
812D27.3Very low26.7Very low140 Ų140145.1 Ų145.175%0.74979%0.787SS**  trans-48.4138.7165.3-59.5-64.9000111.8
813N29.9Very low26.9Very low163 Ų163140.6 Ų140.687%0.87278%0.779SS**  -143.4106.2127-97.9-19.6000108.1
814S24.3Very low27Very low94 Ų94138.5 Ų138.566%0.65778%0.778SS**  trans-51.4152.1155.352.10000111
815I29.8Very low27.2Very low147 Ų147133.2 Ų133.275%0.75478%0.776SS**  trans178.2112.6133.8-88.7154.4000108.3
816N29.7Very low27.3Very low146 Ų146133.2 Ų133.278%0.78178%0.776SS**  trans68.799.7147.4-56.7-9.6000121.1
817G23.2Very low27.8Very low69 Ų69136.4 Ų136.471%0.71179%0.786SS**  -70.8161.5127.100000110.4
818P29.3Very low27.9Very low123 Ų123136.9 Ų136.980%0.79978%0.783SS**  -139.1136.776.529.7-10.1000112.9
819A25.4Very low28.3Very low90 Ų90133.5 Ų133.574%0.74478%0.782SS**  51.488.290.200000114.4
820A28.7Very low28.3Very low108 Ų108135.3 Ų135.389%0.89378%0.784SS**  trans-111.3107.9150.700000107.2
821I23.9Very low28.8Very low147 Ų147134.7 Ų134.775%0.75479%0.786SS**  trans-94.2161.4174.7-56.1175.6000106.6
822V26.9Very low28.7Very low114 Ų114132.1 Ų132.169%0.69178%0.783SS**  trans91103.5156.3-148.90000115
823N30.8Very low28.9Very low149 Ų149133.1 Ų133.180%0.79779%0.788SS**  -177.7101.9108.1-85.4-29.4000109.3
824N26.3Very low28.9Very low163 Ų163132 Ų13287%0.87278%0.782SS**  trans-71.9117153.4-67.7-24.2000106.2
825G30.2Very low29.5Very low74 Ų74135 Ų13576%0.76379%0.791SS**  trans-112.6102.5164.400000106.9
826D27.4Very low29.7Very low134 Ų134135.1 Ų135.172%0.71779%0.793SS**  trans-67.6123.5164.6-64.8-52.7000108.3
827D34.4Very low29.9Very low158 Ų158132.4 Ų132.485%0.84578%0.776SS**  trans-136100.7150.8-82.2-39.9000106.1
828N28.5Very low30.9Very low139 Ų139131.8 Ų131.874%0.74376%0.76SS**  trans-81.7117.8163.5-62.6-68.1000106.1
829D33.7Very low31.7Very low156 Ų156132.1 Ų132.183%0.83475%0.751SS**  trans-127.8123.3155.9-84.5-38.3000107.7
830D29.6Very low32.4Very low141 Ų141133 Ų13375%0.75474%0.743SS**  trans-61143.2179-58.8-61000111.8
831D34.1Very low33Very low166 Ų166130.5 Ų130.589%0.88872%0.717SS**  -176.4112127.6-90.4-29.4000109.1
832D28.7Very low33.8Very low154 Ų154130.8 Ų130.882%0.82471%0.709SS**  trans-60.7128.7171.3-67-58.7000111
833D33.2Very low34.6Very low161 Ų161130.5 Ų130.586%0.86170%0.698SS**  trans-141.1107.6149.2-122.7-13.5000109.9N835D833-N835 PolarHBondContact O-N 2.92Å; D833-N835 VanDerWaalsContact O-N 3.09Å
834D28.6Very low35Very low138 Ų138127.3 Ų127.374%0.73868%0.68SS**  trans-55102.2179-79.3-52000112.2
835N37.2Very low35.2Very low158 Ų158125.3 Ų125.385%0.84566%0.664SS**  trans-123.880.8151.5-88.4-56.8000109.4D833 E837D833-N835 PolarHBondContact O-N 2.92Å; D833-N835 VanDerWaalsContact O-N 3.09Å; N835-E837 PolarHBondContact O-N 3.45Å
836N34.9Very low35.5Very low149 Ų149124.2 Ų124.280%0.79765%0.647SS**  trans-62.967.6178.8-156-9.1000111.6S838N836-S838 PolarHBondContact O-N 3.22Å; N836-S838 VanDerWaalsContact O-N 3.14Å
837E33.1Very low35.9Very low90 Ų90123.9 Ų123.942%0.42164%0.642SS.*  trans-78.594.6169.3-156.7-171.3-162.300107.6N835 E839 R842 K845N835-E837 PolarHBondContact O-N 3.45Å; E837-E839 PolarHBondContact O-N 2.85Å; E837-R842 IonicContact OE2-NE 2.95Å; E837-R842 IonicContact OE2-NH2 2.78Å; E837-K845 IonicContact OE1-NZ 3.85Å
838S44.9Very low35.8Very low56 Ų56122 Ų12239%0.39263%0.63SS.*  trans-47.2136.9-17277.70000111.8N836 N840 T841 R842N836-S838 PolarHBondContact O-N 3.22Å; N836-S838 VanDerWaalsContact O-N 3.14Å; S838-N840 PolarHBondContact O-N 3.37Å; S838-T841 WeakPolarHBondContact O-CB 3.32Å; S838-T841 PolarHBondContact O-N 3Å; S838-T841 PolarHBondContact O-OG1 3.1Å; S838-T841 PolarHBondContact OG-N 3.39Å; S838-T841 PolarHBondContact OG-OG1 3.45Å; S838-R842 PolarHBondContact O-N 3.35Å
839E44.4Very low36Very low129 Ų129122.6 Ų122.660%0.60363%0.633SS**Hα-helixtrans-58-21.7178.6-161.9174.714200112.1E837 R842 K843E837-E839 PolarHBondContact O-N 2.85Å; E839-R842 PolarHBondContact O-N 2.94Å; E839-K843 HydrophobicContact CG-CD 4.4Å; E839-K843 WeakPolarHBondContact O-CB 3.33Å; E839-K843 WeakPolarHBondContact O-CG 3.33Å; E839-K843 PolarHBondContact O-N 2.82Å; E839-K843 WeakPolarHBondContact OE1-CE 3.49Å; E839-K843 IonicContact OE1-NZ 3.9Å; E839-K843 PolarHBondContact OE1-NZ 2.84Å
840N41.9Very low36Very low109 Ų109124 Ų12458%0.58363%0.631SS**Hα-helixtrans-65-39.9172.7-142.112.9000111.7S838 K843 I844S838-N840 PolarHBondContact O-N 3.37Å; N840-K843 PolarHBondContact O-N 2.96Å; N840-I844 VanDerWaalsContact O-CB 3.29Å; N840-I844 WeakPolarHBondContact O-CB 3.26Å; N840-I844 WeakPolarHBondContact O-CD1 3.43Å; N840-I844 WeakPolarHBondContact O-CG1 3.5Å; N840-I844 PolarHBondContact O-N 3.21Å
841T39.8Very low36.1Very low55 Ų55120.6 Ų120.634%0.33762%0.619SS.*Hα-helixtrans-64.8-39.3174.21.80000112.5S838 K845S838-T841 WeakPolarHBondContact O-CB 3.32Å; S838-T841 PolarHBondContact O-N 3Å; S838-T841 PolarHBondContact O-OG1 3.1Å; S838-T841 PolarHBondContact OG-N 3.39Å; S838-T841 PolarHBondContact OG-OG1 3.45Å; T841-K845 WeakPolarHBondContact O-CB 3.39Å; T841-K845 PolarHBondContact O-N 3.07Å
842R41.6Very low36.4Very low154 Ų154114.4 Ų114.458%0.58159%0.588SS**Hα-helixtrans-69-40.6175-68.1-175.8-177.5172.23.7111.6E837 S838 E839 K845 A846E837-R842 IonicContact OE2-NE 2.95Å; E837-R842 IonicContact OE2-NH2 2.78Å; S838-R842 PolarHBondContact O-N 3.35Å; E839-R842 PolarHBondContact O-N 2.94Å; R842-K845 PolarHBondContact O-N 3.39Å; R842-A846 WeakPolarHBondContact O-CB 3.34Å; R842-A846 PolarHBondContact O-N 2.87Å
843K42.9Very low37Very low108 Ų108112.2 Ų112.247%0.4757%0.572SS.*Hα-helixtrans-65.3-41.4173.7-77.8173.7-178.4159.90111.9E839 N840 A846 Q847E839-K843 HydrophobicContact CG-CD 4.4Å; E839-K843 WeakPolarHBondContact O-CB 3.33Å; E839-K843 WeakPolarHBondContact O-CG 3.33Å; E839-K843 PolarHBondContact O-N 2.82Å; E839-K843 WeakPolarHBondContact OE1-CE 3.49Å; E839-K843 IonicContact OE1-NZ 3.9Å; E839-K843 PolarHBondContact OE1-NZ 2.84Å; N840-K843 PolarHBondContact O-N 2.96Å; K843-A846 CarbonylContact O-C 3.53Å; K843-A846 PolarHBondContact O-N 2.75Å; K843-Q847 VanDerWaalsContact O-CB 3.24Å; K843-Q847 WeakPolarHBondContact O-CB 3.41Å; K843-Q847 PolarHBondContact O-N 3.01Å
844I39.3Very low37.6Very low82 Ų82104.8 Ų104.842%0.42153%0.533SS..Hα-helixtrans-65.2-46.8175.6-69.7162.8000110.3N840 A846 Q847 I848N840-I844 VanDerWaalsContact O-CB 3.29Å; N840-I844 WeakPolarHBondContact O-CB 3.26Å; N840-I844 WeakPolarHBondContact O-CD1 3.43Å; N840-I844 WeakPolarHBondContact O-CG1 3.5Å; N840-I844 PolarHBondContact O-N 3.21Å; I844-A846 PolarHBondContact O-N 2.8Å; I844-Q847 PolarHBondContact O-N 3.22Å; I844-I848 HydrophobicContact CG2-CD1 3.66Å; I844-I848 HydrophobicContact CG2-CG1 4.3Å; I844-I848 WeakPolarHBondContact O-CB 3.42Å; I844-I848 WeakPolarHBondContact O-CG1 3.48Å; I844-I848 PolarHBondContact O-N 3.49Å
845K31.7Very low38.5Very low120 Ų120100.7 Ų100.752%0.52251%0.507SS..Hα-helixtrans-61.2-42.6174.9-80.7177.7179.3167.80111.7E837 T841 R842 L849E837-K845 IonicContact OE1-NZ 3.85Å; T841-K845 WeakPolarHBondContact O-CB 3.39Å; T841-K845 PolarHBondContact O-N 3.07Å; R842-K845 PolarHBondContact O-N 3.39Å; K845-L849 PolarHBondContact O-N 3.04Å; K845-L849 VanDerWaalsContact O-N 3.16Å
846A36.3Very low38.9Very low51 Ų5194.3 Ų94.342%0.42147%0.473SS..Hα-helixtrans-70.4-32177.400000113R842 K843 I844 K850R842-A846 WeakPolarHBondContact O-CB 3.34Å; R842-A846 PolarHBondContact O-N 2.87Å; K843-A846 CarbonylContact O-C 3.53Å; K843-A846 PolarHBondContact O-N 2.75Å; I844-A846 PolarHBondContact O-N 2.8Å; A846-K850 WeakPolarHBondContact O-CB 3.01Å; A846-K850 PolarHBondContact O-N 3.23Å; A846-K850 VanDerWaalsContact O-N 3.11Å
847Q35.6Very low39.6Very low127 Ų12787.5 Ų87.559%0.59344%0.437SS*.Hα-helixtrans-73.2-42173.5-96.2168.3-42.300111.5K843 I844 L849 K850 S851K843-Q847 VanDerWaalsContact O-CB 3.24Å; K843-Q847 WeakPolarHBondContact O-CB 3.41Å; K843-Q847 PolarHBondContact O-N 3.01Å; I844-Q847 PolarHBondContact O-N 3.22Å; Q847-L849 PolarHBondContact O-N 2.87Å; Q847-K850 PolarHBondContact O-N 3.05Å; Q847-K850 VanDerWaalsContact O-N 3.08Å; Q847-S851 PolarHBondContact O-N 3.41Å; Q847-S851 PolarHBondContact O-OG 3.21Å
848I31.4Very low40.2Very low119 Ų11985.8 Ų85.861%0.6143%0.431SS*.Hα-helixtrans-59-34.2174.4-68.7166.4000110.7I844I844-I848 HydrophobicContact CG2-CD1 3.66Å; I844-I848 HydrophobicContact CG2-CG1 4.3Å; I844-I848 WeakPolarHBondContact O-CB 3.42Å; I844-I848 WeakPolarHBondContact O-CG1 3.48Å; I844-I848 PolarHBondContact O-N 3.49Å
849L32.8Very low40.3Very low152 Ų15286 Ų8680%0.79643%0.425SS*.Hα-helixtrans-81.7-20.5176.9-86.4155.6000114.7K845 Q847K845-L849 PolarHBondContact O-N 3.04Å; K845-L849 VanDerWaalsContact O-N 3.16Å; Q847-L849 PolarHBondContact O-N 2.87Å
850K33.2Very low39.8Very low184 Ų18482.8 Ų82.880%0.842%0.416SS*.Hα-helixtrans-102.5-17.3-179.6-77-173.7177.6-179.60114.7A846 Q847A846-K850 WeakPolarHBondContact O-CB 3.01Å; A846-K850 PolarHBondContact O-N 3.23Å; A846-K850 VanDerWaalsContact O-N 3.11Å; Q847-K850 PolarHBondContact O-N 3.05Å; Q847-K850 VanDerWaalsContact O-N 3.08Å
851S32.5Very low39.4Very low71 Ų7178.1 Ų78.150%0.49739%0.393SS..SBendtrans-112.4116.3175.166.70000109.9Q847Q847-S851 PolarHBondContact O-N 3.41Å; Q847-S851 PolarHBondContact O-OG 3.21Å
852S41.2Very low39.4Very low35 Ų3576.4 Ų76.425%0.24538%0.38CS..  trans141.784.4143.9-690000112A854 N1132S852-A854 PolarHBondContact O-N 2.99Å; S852-N1132 PolarHBondContact O-ND2 2.57Å
853F41Very low38.9Very low108 Ų10874.8 Ų74.847%0.47438%0.383SS..  trans-82.6103.4162.3-58.1-76.3000107.6
854A44.6Very low38.2Very low6 Ų674.9 Ų74.95%0.0539%0.388CS..  trans-83.9123.1164.700000110.2S852 I856 L932 S935 Y1133 Q1136S852-A854 PolarHBondContact O-N 2.99Å; A854-I856 HydrophobicContact CB-CD1 4.19Å; A854-L932 HydrophobicContact CB-CD2 3.21Å; A854-L932 HydrophobicContact CB-CG 4.4Å; A854-S935 WeakPolarHBondContact CA-OG 3.35Å; A854-Y1133 HydrophobicContact CB-CE1 4.35Å; A854-Q1136 PolarHBondContact O-NE2 3.28Å; A854-Q1136 VanDerWaalsContact O-NE2 3.16Å; A854-Q1136 PolarHBondContact O-OE1 3.36Å
855R49.1Very low37.6Very low51 Ų5176.8 Ų76.819%0.19240%0.403CS..  trans-85.5110.1172.1-60.8-165.982.3-170.1-9.3109.1P1086 E1108 M1110R855-P1086 PolarHBondContact NE-O 2.94Å; R855-P1086 PolarHBondContact NH2-O 3.14Å; R855-P1086 VanDerWaalsContact NH2-O 3.14Å; R855-E1108 IonicContact CZ-OE1 2.7Å; R855-E1108 IonicContact CZ-OE2 3.53Å; R855-E1108 IonicContact NE-OE1 3.78Å; R855-E1108 IonicContact NH1-OE1 3.54Å; R855-E1108 PolarHBondContact NH1-OE1 3.33Å; R855-E1108 IonicContact NH1-OE2 3.39Å; R855-E1108 IonicContact NH2-OE1 3.77Å; R855-E1108 PolarHBondContact NH2-OE1 3.16Å; R855-E1108 IonicContact NH2-OE2 3.54Å; R855-E1108 PolarHBondContact NH2-OE2 3.45Å; R855-M1110 HydrophobicContact CB-CE 3.67Å; R855-M1110 HydrophobicContact CB-SD 4.19Å
856I45.2Very low37.2Very low25 Ų2575.2 Ų75.213%0.12841%0.413CS..  trans-125134.6176.1-77.5152000108.7A854 M1110 I1115 L1118 Y1133A854-I856 HydrophobicContact CB-CD1 4.19Å; I856-M1110 VanDerWaalsContact N-CE 3.33Å; I856-I1115 HydrophobicContact CG2-CG1 3.61Å; I856-L1118 HydrophobicContact CD1-CD1 3.21Å; I856-L1118 HydrophobicContact CG1-CD1 3.66Å; I856-L1118 HydrophobicContact CG2-CD1 4.05Å; I856-Y1133 HydrophobicContact CD1-CD1 4.29Å; I856-Y1133 HydrophobicContact CD1-CE1 3.22Å; I856-Y1133 HydrophobicContact CD1-CE2 4.29Å; I856-Y1133 WeakPolarHBondContact CD1-OH 3.34Å; I856-Y1133 HydrophobicContact CG1-CE1 4.41Å
857A48.3Very low36.6Very low6 Ų679.3 Ų79.35%0.0543%0.426CS..BIsolated β-bridgetrans-71.9140.8175.500000109.1A861 L1089 M1110 G1113 S1114 I1115A857-A861 HydrophobicContact CB-CB 4.17Å; A857-L1089 HydrophobicContact CB-CD1 4.37Å; A857-M1110 HydrophobicContact CB-CB 3.92Å; A857-M1110 HydrophobicContact CB-CG 4.03Å; A857-G1113 PolarHBondContact N-O 2.86Å; A857-S1114 WeakPolarHBondContact O-CA 3.4Å; A857-I1115 PolarHBondContact O-N 3.47Å
858L47.1Very low36.1Very low53 Ų5378.4 Ų78.428%0.27743%0.434SS..SBendtrans-78.6-22.3179.7-86.9156.9000113.3I1115 L1137 L1154L858-I1115 HydrophobicContact CD2-CD1 3.47Å; L858-I1115 VanDerWaalsContact CD2-CD1 3.47Å; L858-I1115 HydrophobicContact CD2-CG1 4.18Å; L858-I1115 HydrophobicContact CG-CD1 4.47Å; L858-L1137 HydrophobicContact CD1-CB 4.33Å; L858-L1137 HydrophobicContact CD1-CD1 4Å; L858-L1137 HydrophobicContact CD1-CG 3.77Å; L858-L1137 HydrophobicContact CD2-CD1 3.8Å; L858-L1137 HydrophobicContact CD2-CG 4.49Å; L858-L1154 HydrophobicContact CD1-CD2 4.4Å
859E47.2Very low35.9Very low61 Ų6180.5 Ų80.529%0.28544%0.442SS..SBendtrans172.3169.3161-110.9-173.1-172.500108.7T1116 K1155E859-T1116 PolarHBondContact OE1-OG1 2.81Å; E859-K1155 WeakPolarHBondContact OE2-CE 3.14Å
860P34.1Very low35.6Very low61 Ų6179.3 Ų79.340%0.39645%0.446SS..  cis-85.8115.3-31.232.3-22.3000106.1Y862P860-Y862 WeakPolarHBondContact O-CD1 3.38Å; P860-Y862 WeakPolarHBondContact O-CE1 2.99Å
861A32.5Very low35.2Very low12 Ų1273.5 Ų73.510%0.09944%0.439CS..  trans-86.2-178.1168.200000110.3A857 G1113 S1114A857-A861 HydrophobicContact CB-CB 4.17Å; A861-G1113 WeakPolarHBondContact CB-O 3.25Å; A861-S1114 VanDerWaalsContact CB-CA 3.41Å
862Y40.5Very low34.8Very low19 Ų1977.9 Ų77.98%0.07546%0.456CS..  trans-120124.7-137-60.4-49.7000108.2P860 L864 L979 C987 A1000P860-Y862 WeakPolarHBondContact O-CD1 3.38Å; P860-Y862 WeakPolarHBondContact O-CE1 2.99Å; Y862-L864 PolarHBondContact O-N 2.78Å; Y862-L864 VanDerWaalsContact O-N 3.12Å; Y862-L979 CarbonylContact C-O 3.12Å; Y862-L979 VanDerWaalsContact C-O 3.31Å; Y862-L979 WeakPolarHBondContact CA-O 3.37Å; Y862-L979 VanDerWaalsContact CB-C 3.47Å; Y862-L979 VanDerWaalsContact CB-CB 3.48Å; Y862-L979 WeakPolarHBondContact CB-O 3.04Å; Y862-L979 HydrophobicContact CD1-CB 3.32Å; Y862-L979 HydrophobicContact CD1-CG 4.37Å; Y862-L979 WeakPolarHBondContact CD1-O 3.31Å; Y862-L979 HydrophobicContact CD2-CB 3.73Å; Y862-L979 HydrophobicContact CD2-CD1 3.42Å; Y862-L979 VanDerWaalsContact CD2-CD1 3.42Å; Y862-L979 HydrophobicContact CD2-CD2 4.09Å; Y862-L979 HydrophobicContact CD2-CG 3.91Å; Y862-L979 HydrophobicContact CE1-CB 3.73Å; Y862-L979 HydrophobicContact CE2-CB 4.1Å; Y862-L979 HydrophobicContact CE2-CD1 3.53Å; Y862-L979 HydrophobicContact CE2-CG 4.36Å; Y862-L979 HydrophobicContact CG-CB 3.25Å; Y862-L979 HydrophobicContact CG-CD1 3.9Å; Y862-L979 HydrophobicContact CG-CD2 3.98Å; Y862-L979 HydrophobicContact CG-CG 3.84Å; Y862-C987 HydrophobicContact CD1-CB 4.09Å; Y862-C987 HydrophobicContact CE1-CB 3.08Å; Y862-C987 VanDerWaalsContact CZ-CB 3.49Å; Y862-C987 VanDerWaalsContact OH-CB 3.27Å; Y862-C987 WeakPolarHBondContact OH-CB 3.36Å; Y862-C987 PolarHBondContact OH-SG 3.2Å; Y862-C987 VanDerWaalsContact OH-SG 3.41Å; Y862-A1000 HydrophobicContact CE2-CB 3.8Å
863D30.3Very low34Very low119 Ų11987.3 Ų87.364%0.63649%0.488SS*.  trans-55.7120-171.4-79.6-32.3000108.7V865 L979D863-V865 PolarHBondContact O-N 3.27Å; D863-L979 PolarHBondContact N-O 3.42Å
864L29.1Very low33.4Very low110 Ų11087 Ų8758%0.57650%0.499SS*.  trans-66.495.5-178.6-71165.4000109Y862 A866Y862-L864 PolarHBondContact O-N 2.78Å; Y862-L864 VanDerWaalsContact O-N 3.12Å; L864-A866 PolarHBondContact O-N 2.71Å
865V26.1Very low32.3Very low123 Ų12391.9 Ų91.975%0.74553%0.533SS*.  trans-71121.5155.2178.20000107.1D863D863-V865 PolarHBondContact O-N 3.27Å
866A23.9Very low31.2Very low87 Ų8795.2 Ų95.272%0.71956%0.559SS**  trans-60140.6-179.200000111.8L864 S868L864-A866 PolarHBondContact O-N 2.71Å; A866-S868 PolarHBondContact O-N 3.32Å
867L23.1Very low30.1Very low136 Ų13697.3 Ų97.371%0.71258%0.576SS**  trans-63.1100.3171.9-68159.1000110
868S24.9Very low29.1Very low109 Ų109105.7 Ų105.776%0.76261%0.614SS**  trans-94.696.2147.162.10000107.5A866A866-S868 PolarHBondContact O-N 3.32Å
869E27.1Very low28.1Very low163 Ų163112 Ų11276%0.76264%0.64SS**  trans-60145.8161.9-66.6176.7169.700108.5
870S26.9Very low27.1Very low126 Ų126117.5 Ų117.588%0.88167%0.665SS**  trans83.757.2-178.7750000118.3
871G24.5Very low26.7Very low63 Ų63122.4 Ų122.465%0.64969%0.688SS**  trans-110.9115.9152.500000109Y873G871-Y873 PolarHBondContact O-N 2.87Å
872N25Very low26.5Very low163 Ų163128.4 Ų128.487%0.87272%0.719SS**  trans-53.8128.7-179.8-73-30.7000110.8S874N872-S874 VanDerWaalsContact C-N 3.29Å; N872-S874 PolarHBondContact O-N 3.36Å
873Y24.4Very low25.9Very low232 Ų232135.7 Ų135.791%0.9175%0.753SS**  trans-63.488.3172.1-81-99.3000108.8G871G871-Y873 PolarHBondContact O-N 2.87Å
874S27.2Very low25.6Very low101 Ų101138.1 Ų138.171%0.70677%0.766SS**  trans-87.7113.5168-161.80000107.4N872 V876N872-S874 VanDerWaalsContact C-N 3.29Å; N872-S874 PolarHBondContact O-N 3.36Å; S874-V876 VanDerWaalsContact C-N 3.32Å; S874-V876 PolarHBondContact O-N 3.36Å
875S22.6Very low25.6Very low109 Ų109142 Ų14276%0.76278%0.781SS**  trans-58.392.8168.9172.80000108.5S877S875-S877 VanDerWaalsContact C-N 3.31Å; S875-S877 PolarHBondContact O-N 3.48Å; S875-S877 VanDerWaalsContact O-N 3.14Å
876V24.5Very low25.7Very low121 Ų121143.5 Ų143.573%0.73379%0.785SS**  trans-81.790.5166.5179.10000106.3S874 E878S874-V876 VanDerWaalsContact C-N 3.32Å; S874-V876 PolarHBondContact O-N 3.36Å; V876-E878 PolarHBondContact O-N 3.05Å
877S23.5Very low25.7Very low69 Ų69146.6 Ų146.648%0.48379%0.79SS.*  trans-64.1104.9158.947.10000107.2S875 F879S875-S877 VanDerWaalsContact C-N 3.31Å; S875-S877 PolarHBondContact O-N 3.48Å; S875-S877 VanDerWaalsContact O-N 3.14Å; S877-F879 WeakPolarHBondContact O-CD2 3.38Å; S877-F879 PolarHBondContact O-N 3.22Å
878E25.7Very low26.2Very low182 Ų182147.2 Ų147.285%0.8579%0.794SS**  trans-68113.9158.3-77.7179.517100106V876V876-E878 PolarHBondContact O-N 3.05Å
879F26.9Very low26.4Very low187 Ų187149.4 Ų149.482%0.8280%0.797SS**  trans-60.3136.1-178.8-73.9-95.9000110S877S877-F879 WeakPolarHBondContact O-CD2 3.38Å; S877-F879 PolarHBondContact O-N 3.22Å
880E27.1Very low26.3Very low176 Ų176149.8 Ų149.882%0.82280%0.799SS**  trans-64.7147.3172.7-67173.915100109.8D882E880-D882 PolarHBondContact O-N 3Å
881D24.3Very low26.2Very low164 Ų164150.2 Ų150.288%0.87779%0.791SS**  trans-61.6107176.3-57.3-61.9000110.1
882D28.7Very low26.6Very low138 Ų138151.2 Ų151.274%0.73880%0.801SS**  trans-125.2108165.8-77.8-37.3000109.6E880E880-D882 PolarHBondContact O-N 3Å
883E27.3Very low26.6Very low171 Ų171153.5 Ų153.580%0.79980%0.798SS**  trans47108.5136-55.3-171.6171.900119.4E885E883-E885 PolarHBondContact O-N 2.62Å
884D24.8Very low26.7Very low171 Ų171150.3 Ų150.391%0.91479%0.791SS**  trans3.395.4142.6-54.3-44000116.4
885E29.7Very low26.7Very low190 Ų190155.1 Ų155.189%0.88880%0.803SS**  trans-120140.7157.2-84.2-170.5172.600111E883E883-E885 PolarHBondContact O-N 2.62Å
886D27.6Very low26.8Very low156 Ų156158.4 Ų158.483%0.83481%0.806SS**  trans-64.3159.4-158.9-64.9-66.7000116.3
887D24.8Very low26.8Very low151 Ų151161 Ų16181%0.80781%0.81SS**  trans-45.6130168.8-61-62.7000112.7
888D32.3Very low26.8Very low150 Ų150166.2 Ų166.280%0.80283%0.827SS**  trans-162.2127.9143.4-88.6-32.2000111.9
889D29.3Very low27Very low155 Ų155166.3 Ų166.383%0.82983%0.827SS**  trans70.8114148.2-63.7-30.6000123.8
890E25.4Very low26.8Very low170 Ų170165.8 Ų165.879%0.79483%0.827SS**  trans-54.5155.6159.2-85-169.6153.600115.3
891N25.4Very low26.6Very low136 Ų136167.2 Ų167.273%0.72783%0.834SS**  trans81.282.7148.9-70.3-39.4000119.4
892G31.3Very low26.7Very low83 Ų83163.6 Ų163.686%0.85682%0.821SS**  trans-124.996.3154.600000111.2
893R26.1Very low26.5Very low212 Ų212167.5 Ų167.580%0.883%0.827SS**  trans-71.4143.3176.3-76.6-179.8-179.3-168.30.6111.8
894Q25.8Very low26.5Very low165 Ų165167.2 Ų167.277%0.77183%0.831SS**  trans55.699.7137.1-63.3172.82.800118.2
895E27.8Very low26.6Very low202 Ų202167 Ų16794%0.94483%0.829SS**  trans-15381.6142.4-108.6171-155.900108.6
896Q25.3Very low26.4Very low177 Ų177166.3 Ų166.383%0.82783%0.826SS**  trans-113.6138.5158.7-77.1-175.622.700107.3
897Q23.4Very low26.3Very low176 Ų176164.5 Ų164.582%0.82282%0.823SS**  trans115.390.4164.2-63.4165.554.200113.4
898Q25Very low26.3Very low179 Ų179164.4 Ų164.484%0.83682%0.82SS**  169.793.8128.2-92158.675.700110.6
899Q28.4Very low25.9Very low184 Ų184168 Ų16886%0.8682%0.824SS**  trans-173.779.4153.5-101157.174.100105.7
900Q23.4Very low25.9Very low176 Ų176165.8 Ų165.882%0.82282%0.817SS**  57.985.8104.8-67.4177.319.900110.9S902Q900-S902 PolarHBondContact O-N 2.61Å
901Q23.8Very low26Very low205 Ų205161.1 Ų161.196%0.95881%0.814SS**  39.768.586.1-81.9178.4-7.400113.8
902S24.8Very low26.3Very low88 Ų88165.9 Ų165.962%0.61582%0.822SS**  trans-153.6145.9147.287.40000107.1Q900Q900-S902 PolarHBondContact O-N 2.61Å
903Y25Very low26.7Very low220 Ų220167.3 Ų167.386%0.86382%0.819SS**  trans89.152.5-167.2-50.7-73.7000116.1
904L26.5Very low27.2Very low166 Ų166164.3 Ų164.387%0.86982%0.818SS**  trans-123.278.3148.7-72.1178.4000108
905N28.4Very low28Very low165 Ų165158.3 Ų158.388%0.88280%0.8SS**  trans-121.771.4164.9-80.1-20.9000107.2
906E24.4Very low28.9Very low177 Ų177151.8 Ų151.883%0.82778%0.777SS**  trans-72.8127161.1-76.1-168.2158.400108.1I908E906-I908 PolarHBondContact O-N 2.82Å
907P25.3Very low30Very low117 Ų117150.6 Ų150.676%0.7677%0.772SS**  trans-68.7119.3-17926.2-30.7000109.8Y909P907-Y909 PolarHBondContact O-N 2.86Å
908I26.5Very low31.4Very low149 Ų149145.1 Ų145.176%0.76476%0.757SS**  trans-51.6108.5169-60.5166.9000108.1E906 T910E906-I908 PolarHBondContact O-N 2.82Å; I908-T910 HydrophobicContact CG2-CG2 4.06Å; I908-T910 PolarHBondContact O-N 3.48Å
909Y23.9Very low32.9Very low225 Ų225141 Ų14188%0.88274%0.74SS**  trans-71.685.9171.2-133.2-93.1000107.5P907 G911P907-Y909 PolarHBondContact O-N 2.86Å; Y909-G911 PolarHBondContact O-N 3.19Å; Y909-G911 VanDerWaalsContact O-N 3.12Å
910T28.1Very low34Very low109 Ų109135.5 Ų135.567%0.66972%0.716SS**  trans-62.2115.4168.449.70000106.7I908 R912I908-T910 HydrophobicContact CG2-CG2 4.06Å; I908-T910 PolarHBondContact O-N 3.48Å; T910-R912 PolarHBondContact O-N 3.49Å
911G27.5Very low35.5Very low72 Ų72132.2 Ų132.274%0.74270%0.701SS**  trans-51.2108.6176.200000108.6Y909 S913Y909-G911 PolarHBondContact O-N 3.19Å; Y909-G911 VanDerWaalsContact O-N 3.12Å; G911-S913 PolarHBondContact O-N 3.24Å; G911-S913 VanDerWaalsContact O-N 3.1Å
912R31.4Very low37.3Very low236 Ų236126 Ų12689%0.89168%0.679SS**  trans-56.5122.5172.3-83.1-172176.9-155.6-0.3106.5T910 L914T910-R912 PolarHBondContact O-N 3.49Å; R912-L914 PolarHBondContact O-N 2.96Å
913S39.9Very low38.9Very low113 Ų113128 Ų12879%0.7968%0.679SS**  trans-41.7118.2170.5178.80000108.4G911 G915G911-S913 PolarHBondContact O-N 3.24Å; G911-S913 VanDerWaalsContact O-N 3.1Å; S913-G915 PolarHBondContact O-N 3.23Å
914L37.3Very low40.2Very low149 Ų149120.8 Ų120.878%0.7865%0.653SS**  trans-47.8111.6174.2-75.2153000107.1R912 L920R912-L914 PolarHBondContact O-N 2.96Å; L914-L920 HydrophobicContact CD2-CD1 3.89Å
915G41.6Very low41.8Very low39 Ų39117 Ų11740%0.40264%0.636SS.*  trans-60.9177.6177.100000110.6S913S913-G915 PolarHBondContact O-N 3.23Å
916S48.3Very low43.2Very low65 Ų65112.2 Ų112.246%0.45561%0.613SS.*  trans-55.5157174.168.10000110.8A918 D919 L920S916-A918 PolarHBondContact O-N 3.43Å; S916-D919 WeakPolarHBondContact CB-OD2 3.38Å; S916-D919 PolarHBondContact N-OD2 3.4Å; S916-D919 WeakPolarHBondContact O-CA 3.5Å; S916-D919 WeakPolarHBondContact O-CB 2.89Å; S916-D919 PolarHBondContact O-N 3.44Å; S916-D919 VanDerWaalsContact OG-CG 3.24Å; S916-D919 PolarHBondContact OG-N 3.25Å; S916-D919 PolarHBondContact OG-OD2 3.38Å; S916-L920 PolarHBondContact O-N 2.88Å; S916-L920 VanDerWaalsContact O-N 3.11Å
917E48.4Very low44.4Very low153 Ų153106.1 Ų106.172%0.71559%0.588SS**Hα-helixtrans-48-33.1173.1-17193.8-160.100111.9Q921E917-Q921 VanDerWaalsContact O-CG 3.28Å; E917-Q921 WeakPolarHBondContact O-CG 3.45Å; E917-Q921 PolarHBondContact O-N 3.32Å
918A52.6Low45.4Very low61 Ų61103 Ų10350%0.50457%0.565SS.*Hα-helixtrans-69.6-37.4176.700000113.2S916 Q921 C922S916-A918 PolarHBondContact O-N 3.43Å; A918-Q921 PolarHBondContact O-N 3.33Å; A918-C922 WeakPolarHBondContact O-CB 3.46Å; A918-C922 PolarHBondContact O-N 3.38Å
919D55.7Low46.6Very low92 Ų92104 Ų10449%0.49256%0.559SS.*Hα-helixtrans-68.2-40.7176.4-60-46.9000110.7S916 Q921 C922 E923S916-D919 WeakPolarHBondContact CB-OD2 3.38Å; S916-D919 PolarHBondContact N-OD2 3.4Å; S916-D919 WeakPolarHBondContact O-CA 3.5Å; S916-D919 WeakPolarHBondContact O-CB 2.89Å; S916-D919 PolarHBondContact O-N 3.44Å; S916-D919 VanDerWaalsContact OG-CG 3.24Å; S916-D919 PolarHBondContact OG-N 3.25Å; S916-D919 PolarHBondContact OG-OD2 3.38Å; D919-Q921 PolarHBondContact O-N 2.93Å; D919-C922 PolarHBondContact O-N 3.46Å; D919-E923 WeakPolarHBondContact O-CB 3.06Å; D919-E923 PolarHBondContact O-N 2.72Å
920L50.4Low47.8Very low68 Ų6897.5 Ų97.536%0.35654%0.539SS..Hα-helixtrans-62.8-42.1175.4-124.7141.7000111.3L914 S916 Q924L914-L920 HydrophobicContact CD2-CD1 3.89Å; S916-L920 PolarHBondContact O-N 2.88Å; S916-L920 VanDerWaalsContact O-N 3.11Å; L920-Q924 WeakPolarHBondContact O-CB 3.32Å; L920-Q924 WeakPolarHBondContact O-CG 3.33Å; L920-Q924 PolarHBondContact O-N 3.46Å
921Q56.6Low48.4Very low107 Ų10794.7 Ų94.750%0.553%0.527SS..Hα-helixtrans-65.3-40.8172.6-73.4176.815.200112.1E917 A918 D919 V925E917-Q921 VanDerWaalsContact O-CG 3.28Å; E917-Q921 WeakPolarHBondContact O-CG 3.45Å; E917-Q921 PolarHBondContact O-N 3.32Å; A918-Q921 PolarHBondContact O-N 3.33Å; D919-Q921 PolarHBondContact O-N 2.93Å; Q921-V925 WeakPolarHBondContact O-CB 3.4Å; Q921-V925 WeakPolarHBondContact O-CG2 3.32Å; Q921-V925 PolarHBondContact O-N 3.14Å
922C60.7Low49.1Very low74 Ų7492.2 Ų92.250%0.550%0.497SS..Hα-helixtrans-66-40.4178.1-168.40000111.9A918 D919 V925 T926A918-C922 WeakPolarHBondContact O-CB 3.46Å; A918-C922 PolarHBondContact O-N 3.38Å; D919-C922 PolarHBondContact O-N 3.46Å; C922-V925 PolarHBondContact O-N 3.38Å; C922-T926 VanDerWaalsContact O-CB 3.32Å; C922-T926 WeakPolarHBondContact O-CB 3.47Å; C922-T926 PolarHBondContact O-N 2.92Å; C922-T926 PolarHBondContact O-OG1 3.4Å
923E59.4Low49.9Very low130 Ų13085 Ų8561%0.60748%0.48SS*.Hα-helixtrans-70.3-42.6177.5-162.4171.5-151.100111.1D919 V925 T926 V927D919-E923 WeakPolarHBondContact O-CB 3.06Å; D919-E923 PolarHBondContact O-N 2.72Å; E923-V925 VanDerWaalsContact C-N 3.31Å; E923-V925 PolarHBondContact O-N 2.95Å; E923-T926 PolarHBondContact O-N 3.39Å; E923-V927 HydrophobicContact CG-CG2 4.35Å; E923-V927 WeakPolarHBondContact O-CB 3.32Å; E923-V927 VanDerWaalsContact O-CG2 3.32Å; E923-V927 WeakPolarHBondContact O-CG2 3.5Å; E923-V927 PolarHBondContact O-N 3.44Å
924Q51.4Low50.1Low70 Ų7088.1 Ų88.133%0.32747%0.474SS..Hα-helixtrans-54.7-47.2168.8-77.1175.425.400110.9L920 L928 Y1122L920-Q924 WeakPolarHBondContact O-CB 3.32Å; L920-Q924 WeakPolarHBondContact O-CG 3.33Å; L920-Q924 PolarHBondContact O-N 3.46Å; Q924-L928 WeakPolarHBondContact O-CB 2.99Å; Q924-L928 PolarHBondContact O-N 2.96Å; Q924-Y1122 HydrophobicContact CG-CD1 4.47Å
925V59.2Low50.2Low85 Ų8581.9 Ų81.952%0.51544%0.442SS..Hα-helixtrans-65.5-39.5178.3169.70000111.9Q921 C922 E923 R929Q921-V925 WeakPolarHBondContact O-CB 3.4Å; Q921-V925 WeakPolarHBondContact O-CG2 3.32Å; Q921-V925 PolarHBondContact O-N 3.14Å; C922-V925 PolarHBondContact O-N 3.38Å; E923-V925 VanDerWaalsContact C-N 3.31Å; E923-V925 PolarHBondContact O-N 2.95Å; V925-R929 VanDerWaalsContact O-CB 3.22Å; V925-R929 WeakPolarHBondContact O-CB 3.46Å; V925-R929 PolarHBondContact O-N 3.3Å
926T58Low50.1Low65 Ų6583 Ų8340%0.39944%0.442SS..Hα-helixtrans-73.2-41.2-177.7-58.90000111.8C922 E923 R929 N930C922-T926 VanDerWaalsContact O-CB 3.32Å; C922-T926 WeakPolarHBondContact O-CB 3.47Å; C922-T926 PolarHBondContact O-N 2.92Å; C922-T926 PolarHBondContact O-OG1 3.4Å; E923-T926 PolarHBondContact O-N 3.39Å; T926-R929 CarbonylContact O-C 3.43Å; T926-R929 VanDerWaalsContact O-CB 3.31Å; T926-R929 WeakPolarHBondContact O-CB 3.31Å; T926-R929 PolarHBondContact O-N 2.97Å; T926-N930 PolarHBondContact O-N 3.37Å
927V50.2Low49.7Very low49 Ų4987.5 Ų87.530%0.29746%0.455SS..Hα-helixtrans-72.2-40175.9178.60000110.5E923 R929 N930 A931 Y1122E923-V927 HydrophobicContact CG-CG2 4.35Å; E923-V927 WeakPolarHBondContact O-CB 3.32Å; E923-V927 VanDerWaalsContact O-CG2 3.32Å; E923-V927 WeakPolarHBondContact O-CG2 3.5Å; E923-V927 PolarHBondContact O-N 3.44Å; V927-R929 VanDerWaalsContact C-N 3.27Å; V927-R929 PolarHBondContact O-N 2.94Å; V927-N930 CarbonylContact O-C 3.58Å; V927-N930 WeakPolarHBondContact O-CB 3.38Å; V927-N930 PolarHBondContact O-N 2.78Å; V927-N930 VanDerWaalsContact O-N 3.07Å; V927-A931 WeakPolarHBondContact O-CB 3.39Å; V927-A931 PolarHBondContact O-N 3.03Å; V927-Y1122 WeakPolarHBondContact CG1-OH 3.38Å
928L46.9Very low49.3Very low53 Ų5388.9 Ų88.928%0.27746%0.462SS..Hα-helixtrans-59.3-42.6169.4-161.3104.6000109.5Q924 N930 A931 L932 I1129Q924-L928 WeakPolarHBondContact O-CB 2.99Å; Q924-L928 PolarHBondContact O-N 2.96Å; L928-N930 VanDerWaalsContact C-N 3.31Å; L928-N930 PolarHBondContact O-N 3.34Å; L928-A931 PolarHBondContact O-N 2.94Å; L928-L932 HydrophobicContact CD2-CD1 3.57Å; L928-L932 HydrophobicContact CD2-CG 4.3Å; L928-L932 HydrophobicContact CG-CD1 3.94Å; L928-L932 HydrophobicContact CG-CG 4.21Å; L928-L932 WeakPolarHBondContact O-CA 3.12Å; L928-L932 WeakPolarHBondContact O-CB 3.49Å; L928-L932 WeakPolarHBondContact O-CD1 3.14Å; L928-L932 WeakPolarHBondContact O-CG 3.33Å; L928-L932 PolarHBondContact O-N 2.87Å; L928-I1129 HydrophobicContact CD1-CD1 4.1Å; L928-I1129 HydrophobicContact CD2-CD1 4.2Å; L928-I1129 HydrophobicContact CD2-CG1 4.27Å
929R50.4Low48.9Very low169 Ų16991 Ų9164%0.63846%0.464SS*.Hα-helixtrans-58.2-41.6173.2-164.6-173.1-157.1104.50.9111.6V925 T926 V927 T933V925-R929 VanDerWaalsContact O-CB 3.22Å; V925-R929 WeakPolarHBondContact O-CB 3.46Å; V925-R929 PolarHBondContact O-N 3.3Å; T926-R929 CarbonylContact O-C 3.43Å; T926-R929 VanDerWaalsContact O-CB 3.31Å; T926-R929 WeakPolarHBondContact O-CB 3.31Å; T926-R929 PolarHBondContact O-N 2.97Å; V927-R929 VanDerWaalsContact C-N 3.27Å; V927-R929 PolarHBondContact O-N 2.94Å; R929-T933 VanDerWaalsContact O-CB 3.3Å; R929-T933 WeakPolarHBondContact O-CB 3.22Å; R929-T933 PolarHBondContact O-N 3.41Å; R929-T933 PolarHBondContact O-OG1 2.85Å
930N49Very low48.6Very low88 Ų8895.1 Ų95.147%0.47148%0.478SS..Hα-helixtrans-69.2-43.6177.4-73.3-17.4000112.7T926 V927 L928 T933 R934T926-N930 PolarHBondContact O-N 3.37Å; V927-N930 CarbonylContact O-C 3.58Å; V927-N930 WeakPolarHBondContact O-CB 3.38Å; V927-N930 PolarHBondContact O-N 2.78Å; V927-N930 VanDerWaalsContact O-N 3.07Å; L928-N930 VanDerWaalsContact C-N 3.31Å; L928-N930 PolarHBondContact O-N 3.34Å; N930-T933 PolarHBondContact O-N 2.92Å; N930-R934 WeakPolarHBondContact O-CG 3.37Å; N930-R934 PolarHBondContact O-N 2.74Å
931A40.9Very low48.5Very low50 Ų5097.1 Ų97.141%0.41350%0.495SS..Hα-helixtrans-63-44.417400000111V927 L928 R934 S935V927-A931 WeakPolarHBondContact O-CB 3.39Å; V927-A931 PolarHBondContact O-N 3.03Å; L928-A931 PolarHBondContact O-N 2.94Å; A931-R934 PolarHBondContact O-N 3.12Å; A931-S935 WeakPolarHBondContact O-CB 3.5Å; A931-S935 PolarHBondContact O-N 3.03Å; A931-S935 PolarHBondContact O-OG 3.46Å; A931-S935 VanDerWaalsContact O-OG 3.09Å
932L43.3Very low48.7Very low20 Ų2094.8 Ų94.811%0.10549%0.485CS..Hα-helixtrans-57.7-49.6172-69.5167.1000109.2A854 L928 R934 S935 T936A854-L932 HydrophobicContact CB-CD2 3.21Å; A854-L932 HydrophobicContact CB-CG 4.4Å; L928-L932 HydrophobicContact CD2-CD1 3.57Å; L928-L932 HydrophobicContact CD2-CG 4.3Å; L928-L932 HydrophobicContact CG-CD1 3.94Å; L928-L932 HydrophobicContact CG-CG 4.21Å; L928-L932 WeakPolarHBondContact O-CA 3.12Å; L928-L932 WeakPolarHBondContact O-CB 3.49Å; L928-L932 WeakPolarHBondContact O-CD1 3.14Å; L928-L932 WeakPolarHBondContact O-CG 3.33Å; L928-L932 PolarHBondContact O-N 2.87Å; L932-R934 VanDerWaalsContact C-N 3.32Å; L932-R934 PolarHBondContact O-N 2.81Å; L932-S935 VanDerWaalsContact CA-OG 3.27Å; L932-S935 WeakPolarHBondContact CA-OG 3.22Å; L932-S935 CarbonylContact O-C 3.55Å; L932-S935 WeakPolarHBondContact O-CA 3.12Å; L932-S935 PolarHBondContact O-N 3.22Å; L932-S935 PolarHBondContact O-OG 3.31Å; L932-T936 WeakPolarHBondContact O-CB 3.25Å; L932-T936 WeakPolarHBondContact O-CG2 3.35Å; L932-T936 PolarHBondContact O-N 2.98Å; L932-T936 PolarHBondContact O-OG1 2.89Å; L932-T936 VanDerWaalsContact O-OG1 3.12Å
933T48.5Very low48.9Very low86 Ų8698 Ų9853%0.52850%0.497SS..Hα-helixtrans-57.4-43.9178.9-54.90000111.5R929 N930 S935 T936R929-T933 VanDerWaalsContact O-CB 3.3Å; R929-T933 WeakPolarHBondContact O-CB 3.22Å; R929-T933 PolarHBondContact O-N 3.41Å; R929-T933 PolarHBondContact O-OG1 2.85Å; N930-T933 PolarHBondContact O-N 2.92Å; T933-S935 VanDerWaalsContact C-N 3.3Å; T933-S935 PolarHBondContact O-N 2.87Å; T933-T936 VanDerWaalsContact CA-OG1 3.32Å; T933-T936 WeakPolarHBondContact CA-OG1 3.36Å; T933-T936 PolarHBondContact O-N 2.94Å; T933-T936 PolarHBondContact O-OG1 3.04Å
934R42.3Very low49.5Very low178 Ų17895.4 Ų95.467%0.67249%0.491SS*.Hα-helixtrans-63.9-33.4174.5-69.6178.9-169.5-122.53.3112.8N930 A931 L932N930-R934 WeakPolarHBondContact O-CG 3.37Å; N930-R934 PolarHBondContact O-N 2.74Å; A931-R934 PolarHBondContact O-N 3.12Å; L932-R934 VanDerWaalsContact C-N 3.32Å; L932-R934 PolarHBondContact O-N 2.81Å
935S41.4Very low51Low17 Ų1792.2 Ų92.212%0.11948%0.476CS..Hα-helixtrans-89.9-15.8-179.367.40000115A854 A931 L932 T933 H937A854-S935 WeakPolarHBondContact CA-OG 3.35Å; A931-S935 WeakPolarHBondContact O-CB 3.5Å; A931-S935 PolarHBondContact O-N 3.03Å; A931-S935 PolarHBondContact O-OG 3.46Å; A931-S935 VanDerWaalsContact O-OG 3.09Å; L932-S935 VanDerWaalsContact CA-OG 3.27Å; L932-S935 WeakPolarHBondContact CA-OG 3.22Å; L932-S935 CarbonylContact O-C 3.55Å; L932-S935 WeakPolarHBondContact O-CA 3.12Å; L932-S935 PolarHBondContact O-N 3.22Å; L932-S935 PolarHBondContact O-OG 3.31Å; T933-S935 VanDerWaalsContact C-N 3.3Å; T933-S935 PolarHBondContact O-N 2.87Å; S935-H937 PolarHBondContact O-N 3.3Å; S935-H937 VanDerWaalsContact O-N 3.09Å
936T39.1Very low51.9Low63 Ų6391.4 Ų91.439%0.38747%0.472SS..  trans-79.318-175.4510000114.1L932 T933 Q938L932-T936 WeakPolarHBondContact O-CB 3.25Å; L932-T936 WeakPolarHBondContact O-CG2 3.35Å; L932-T936 PolarHBondContact O-N 2.98Å; L932-T936 PolarHBondContact O-OG1 2.89Å; L932-T936 VanDerWaalsContact O-OG1 3.12Å; T933-T936 VanDerWaalsContact CA-OG1 3.32Å; T933-T936 WeakPolarHBondContact CA-OG1 3.36Å; T933-T936 PolarHBondContact O-N 2.94Å; T933-T936 PolarHBondContact O-OG1 3.04Å; T936-Q938 PolarHBondContact O-N 3Å
937H39.3Very low53.1Low160 Ų16089.1 Ų89.174%0.74146%0.462SS*.  trans-55.3108.6164.1-79-67.8000107.8S935 L939S935-H937 PolarHBondContact O-N 3.3Å; S935-H937 VanDerWaalsContact O-N 3.09Å; H937-L939 PolarHBondContact O-N 3.11Å
938Q39.4Very low54.9Low182 Ų18286.8 Ų86.885%0.8545%0.448SS*.  trans-39.5134.3174.5-155170.211.400108.2T936 K940T936-Q938 PolarHBondContact O-N 3Å; Q938-K940 PolarHBondContact O-N 3.13Å
939L44.5Very low56.6Low104 Ų10486.9 Ų86.955%0.54545%0.453SS..  trans-57.861.7-174.1-64.3172.2000112.6H937 P941 P1086H937-L939 PolarHBondContact O-N 3.11Å; L939-P941 WeakPolarHBondContact O-CD 3.39Å; L939-P1086 HydrophobicContact CD1-CB 4Å; L939-P1086 HydrophobicContact CD1-CG 4.39Å; L939-P1086 HydrophobicContact CD2-CB 3.7Å
940K48.7Very low58.2Low180 Ų18086 Ų8678%0.78345%0.454SS*.  trans-69.7123.3168.6-143.3176.8-173.8-178.50104Q938 L942Q938-K940 PolarHBondContact O-N 3.13Å; K940-L942 PolarHBondContact O-N 3.14Å; K940-L942 VanDerWaalsContact O-N 3.09Å
941P50Low59.9Low110 Ų11081.9 Ų81.971%0.71443%0.432SS*.  trans-49.1124.5174.4-23.631.3000108L939 L943L939-P941 WeakPolarHBondContact O-CD 3.39Å; P941-L943 PolarHBondContact O-N 3.36Å
942L59.3Low62.2Low57 Ų5779.9 Ų79.930%0.29841%0.414SS..  trans-60113.7176.7-69.2168.7000106.8K940 F1092 E1108K940-L942 PolarHBondContact O-N 3.14Å; K940-L942 VanDerWaalsContact O-N 3.09Å; L942-F1092 HydrophobicContact CB-CE1 3.89Å; L942-F1092 HydrophobicContact CB-CZ 3.98Å; L942-F1092 HydrophobicContact CD1-CE1 4.46Å; L942-F1092 HydrophobicContact CD1-CZ 3.81Å; L942-F1092 HydrophobicContact CG-CZ 4.39Å; L942-E1108 HydrophobicContact CD1-CB 4.35Å; L942-E1108 VanDerWaalsContact CD1-CD 3.48Å; L942-E1108 HydrophobicContact CD1-CG 3.9Å; L942-E1108 WeakPolarHBondContact CD1-OE1 3.2Å
943L65.1Low64.2Low143 Ų14381.3 Ų81.375%0.74943%0.426SS*.  trans-55.2135.6-178.3-72.5168.8000108.7P941 I945P941-L943 PolarHBondContact O-N 3.36Å; L943-I945 PolarHBondContact O-N 2.78Å
944P71.7Confident66Low74 Ų7478.9 Ų78.948%0.48141%0.412SS..  trans-52.3135.6171.2-21.931.3000109.1P946P944-P946 WeakPolarHBondContact O-CD 3.28Å
945I84.7Confident68.1Low4 Ų470.8 Ų70.82%0.02138%0.382CS..  trans-77115.5172.5-66165.2000106.5L943 G947 L948 S949 D992 L997 L999 F1092L943-I945 PolarHBondContact O-N 2.78Å; I945-G947 VanDerWaalsContact C-N 3.3Å; I945-G947 PolarHBondContact O-N 2.95Å; I945-L948 HydrophobicContact CB-CB 4.21Å; I945-L948 HydrophobicContact CB-CD1 4.31Å; I945-L948 HydrophobicContact CD1-CD1 3.77Å; I945-L948 HydrophobicContact CG2-CB 4.31Å; I945-L948 HydrophobicContact CG2-CD1 4.36Å; I945-L948 HydrophobicContact CG2-CG 4.38Å; I945-L948 PolarHBondContact O-N 3.09Å; I945-S949 VanDerWaalsContact O-CB 3.32Å; I945-S949 WeakPolarHBondContact O-CB 3.35Å; I945-S949 PolarHBondContact O-N 2.95Å; I945-D992 HydrophobicContact CG2-CB 4.45Å; I945-D992 VanDerWaalsContact CG2-OD1 3.26Å; I945-D992 WeakPolarHBondContact CG2-OD1 3.39Å; I945-L997 HydrophobicContact CD1-CD2 3.96Å; I945-L997 HydrophobicContact CG1-CD2 3.87Å; I945-L999 HydrophobicContact CD1-CD1 3.54Å; I945-L999 HydrophobicContact CD1-CD2 3.78Å; I945-L999 HydrophobicContact CD1-CG 4.14Å; I945-F1092 HydrophobicContact CD1-CB 4.21Å; I945-F1092 HydrophobicContact CD1-CD1 4.17Å; I945-F1092 HydrophobicContact CD1-CD2 4.37Å; I945-F1092 HydrophobicContact CD1-CG 4.03Å; I945-F1092 HydrophobicContact CG1-CD1 4.41Å
946P78.1Confident70.2Confident67 Ų6775.7 Ų75.744%0.43540%0.403SS..Hα-helixtrans-59.3-35.9-170.2-28.834.6000115.2P944 S949 F950 R994P944-P946 WeakPolarHBondContact O-CD 3.28Å; P946-S949 PolarHBondContact O-N 3.42Å; P946-F950 WeakPolarHBondContact O-CB 3.5Å; P946-F950 PolarHBondContact O-N 2.77Å; P946-R994 VanDerWaalsContact CB-NH1 3.33Å
947G82.6Confident72.5Confident18 Ų1880.3 Ų80.319%0.18642%0.42CS..Hα-helixtrans-60.5-57.317500000111.7I945 S949 F950 V951I945-G947 VanDerWaalsContact C-N 3.3Å; I945-G947 PolarHBondContact O-N 2.95Å; G947-S949 VanDerWaalsContact C-N 3.28Å; G947-S949 PolarHBondContact O-N 3.29Å; G947-F950 WeakPolarHBondContact O-CB 3.37Å; G947-F950 PolarHBondContact O-N 2.92Å; G947-V951 WeakPolarHBondContact O-CG2 3.35Å; G947-V951 PolarHBondContact O-N 3.27Å; G947-V951 VanDerWaalsContact O-N 3.11Å
948L86.7Confident74.8Confident0 Ų076.7 Ų76.70%041%0.41CS..Hα-helixtrans-60.8-35.1174.5-74.1170.7000113.1I945 F950 V951 M952 Y967 F1092 F1106I945-L948 HydrophobicContact CB-CB 4.21Å; I945-L948 HydrophobicContact CB-CD1 4.31Å; I945-L948 HydrophobicContact CD1-CD1 3.77Å; I945-L948 HydrophobicContact CG2-CB 4.31Å; I945-L948 HydrophobicContact CG2-CD1 4.36Å; I945-L948 HydrophobicContact CG2-CG 4.38Å; I945-L948 PolarHBondContact O-N 3.09Å; L948-F950 VanDerWaalsContact C-N 3.34Å; L948-F950 PolarHBondContact O-N 2.79Å; L948-V951 PolarHBondContact O-N 2.93Å; L948-M952 VanDerWaalsContact O-CB 3.31Å; L948-M952 WeakPolarHBondContact O-CB 3.46Å; L948-M952 WeakPolarHBondContact O-CG 3.3Å; L948-M952 PolarHBondContact O-N 3.07Å; L948-Y967 HydrophobicContact CD1-CE1 3.98Å; L948-Y967 HydrophobicContact CD2-CD1 3.47Å; L948-Y967 VanDerWaalsContact CD2-CD1 3.47Å; L948-Y967 HydrophobicContact CD2-CD2 4.35Å; L948-Y967 HydrophobicContact CD2-CE1 3.65Å; L948-Y967 HydrophobicContact CD2-CG 3.84Å; L948-Y967 HydrophobicContact CG-CD1 3.95Å; L948-Y967 HydrophobicContact CG-CD2 4.26Å; L948-Y967 HydrophobicContact CG-CE1 3.66Å; L948-Y967 HydrophobicContact CG-CE2 4Å; L948-Y967 HydrophobicContact CG-CG 4.22Å; L948-F1092 HydrophobicContact CD1-CB 3.88Å; L948-F1106 HydrophobicContact CD1-CB 3.57Å; L948-F1106 HydrophobicContact CD1-CD1 4.14Å; L948-F1106 HydrophobicContact CD1-CD2 4.15Å; L948-F1106 HydrophobicContact CD1-CG 3.69Å; L948-F1106 HydrophobicContact CD2-CB 4.42Å; L948-F1106 HydrophobicContact CD2-CD2 3.48Å; L948-F1106 VanDerWaalsContact CD2-CD2 3.48Å; L948-F1106 HydrophobicContact CD2-CE2 3.8Å; L948-F1106 HydrophobicContact CD2-CG 3.9Å; L948-F1106 HydrophobicContact CD2-CZ 4.5Å; L948-F1106 HydrophobicContact CG-CD2 4.48Å; L948-F1106 HydrophobicContact CG-CG 4.45Å
949S84.4Confident77Confident55 Ų5574.3 Ų74.339%0.38540%0.397SS..Hα-helixtrans-64.8-38.9177.9-169.40000112I945 P946 G947 S953I945-S949 VanDerWaalsContact O-CB 3.32Å; I945-S949 WeakPolarHBondContact O-CB 3.35Å; I945-S949 PolarHBondContact O-N 2.95Å; P946-S949 PolarHBondContact O-N 3.42Å; G947-S949 VanDerWaalsContact C-N 3.28Å; G947-S949 PolarHBondContact O-N 3.29Å; S949-S953 PolarHBondContact O-N 2.95Å; S949-S953 VanDerWaalsContact O-N 3.15Å; S949-S953 PolarHBondContact O-OG 3.12Å
950F83.4Confident79Confident151 Ų15176.4 Ų76.466%0.66240%0.401SS*.Hα-helixtrans-64-49.6174.5177.9-100.3000110.4P946 G947 L948 M952 S953P946-F950 WeakPolarHBondContact O-CB 3.5Å; P946-F950 PolarHBondContact O-N 2.77Å; G947-F950 WeakPolarHBondContact O-CB 3.37Å; G947-F950 PolarHBondContact O-N 2.92Å; L948-F950 VanDerWaalsContact C-N 3.34Å; L948-F950 PolarHBondContact O-N 2.79Å; F950-M952 VanDerWaalsContact C-N 3.31Å; F950-M952 PolarHBondContact O-N 3.1Å; F950-S953 VanDerWaalsContact O-CB 3.28Å; F950-S953 WeakPolarHBondContact O-CB 3.06Å; F950-S953 PolarHBondContact O-N 3.09Å
951V84.1Confident81Confident1 Ų168.6 Ų68.61%0.00637%0.368CS..Hα-helixtrans-60.2-39.3178174.80000112.1G947 L948 S953 S954 F955 P962 E966 V1095G947-V951 WeakPolarHBondContact O-CG2 3.35Å; G947-V951 PolarHBondContact O-N 3.27Å; G947-V951 VanDerWaalsContact O-N 3.11Å; L948-V951 PolarHBondContact O-N 2.93Å; V951-S953 VanDerWaalsContact C-N 3.32Å; V951-S953 PolarHBondContact O-N 2.59Å; V951-S954 WeakPolarHBondContact O-CB 3.34Å; V951-S954 PolarHBondContact O-N 2.76Å; V951-F955 PolarHBondContact O-N 2.73Å; V951-P962 HydrophobicContact CB-CG 4.49Å; V951-P962 HydrophobicContact CG1-CB 3.65Å; V951-P962 HydrophobicContact CG1-CG 3.18Å; V951-E966 HydrophobicContact CG1-CB 4.33Å; V951-E966 HydrophobicContact CG2-CB 3.63Å; V951-E966 WeakPolarHBondContact CG2-O 3.09Å; V951-V1095 HydrophobicContact CG1-CG1 3.84Å
952M89.9Confident82.8Confident8 Ų863.8 Ų63.84%0.03934%0.337CS..Hα-helixtrans-73.3-19.8176.8-70.3-59.99400114.2L948 F950 S954 F955 Q956 P962 L1081 G1093 A1094L948-M952 VanDerWaalsContact O-CB 3.31Å; L948-M952 WeakPolarHBondContact O-CB 3.46Å; L948-M952 WeakPolarHBondContact O-CG 3.3Å; L948-M952 PolarHBondContact O-N 3.07Å; F950-M952 VanDerWaalsContact C-N 3.31Å; F950-M952 PolarHBondContact O-N 3.1Å; M952-S954 VanDerWaalsContact C-N 3.28Å; M952-F955 HydrophobicContact CE-CB 4.16Å; M952-F955 PolarHBondContact O-N 3.46Å; M952-F955 HydrophobicContact SD-CB 4.2Å; M952-Q956 WeakPolarHBondContact O-CG 3.21Å; M952-Q956 PolarHBondContact O-N 3.4Å; M952-P962 HydrophobicContact CE-CG 3.54Å; M952-L1081 HydrophobicContact SD-CD1 4.27Å; M952-G1093 VanDerWaalsContact CG-CA 3.49Å; M952-G1093 WeakPolarHBondContact SD-CA 3.41Å; M952-A1094 WeakPolarHBondContact CE-O 3.39Å; M952-A1094 PolarHBondContact SD-N 3.5Å; M952-A1094 VanDerWaalsContact SD-N 3.43Å
953S85.3Confident84Confident49 Ų4963.7 Ų63.734%0.34334%0.337SS..Hα-helixtrans-65.3-37.5170.9-58.40000110.5S949 F950 V951 Q956 Q957S949-S953 PolarHBondContact O-N 2.95Å; S949-S953 VanDerWaalsContact O-N 3.15Å; S949-S953 PolarHBondContact O-OG 3.12Å; F950-S953 VanDerWaalsContact O-CB 3.28Å; F950-S953 WeakPolarHBondContact O-CB 3.06Å; F950-S953 PolarHBondContact O-N 3.09Å; V951-S953 VanDerWaalsContact C-N 3.32Å; V951-S953 PolarHBondContact O-N 2.59Å; S953-Q956 PolarHBondContact O-N 2.83Å; S953-Q957 WeakPolarHBondContact O-CG 3.34Å; S953-Q957 PolarHBondContact O-N 3.36Å; S953-Q957 VanDerWaalsContact O-N 3.16Å
954S85.3Confident84.9Confident35 Ų3557.4 Ų57.425%0.24530%0.304CS..Hα-helixtrans-62.4-42.1171.8-54.20000111.9V951 M952 Q956 Q957 T958V951-S954 WeakPolarHBondContact O-CB 3.34Å; V951-S954 PolarHBondContact O-N 2.76Å; M952-S954 VanDerWaalsContact C-N 3.28Å; S954-Q956 PolarHBondContact O-N 3.05Å; S954-Q957 PolarHBondContact O-N 2.91Å; S954-T958 WeakPolarHBondContact O-CB 3.43Å; S954-T958 WeakPolarHBondContact O-CG2 3.49Å; S954-T958 PolarHBondContact O-N 3.3Å; S954-T958 PolarHBondContact O-OG1 2.88Å
955F88.1Confident85.1Confident9 Ų957.7 Ų57.74%0.03930%0.302CS..Hα-helixtrans-61.8-43.7174.8178.6-103.1000112V951 M952 Q957 K959 K960 L961 V1077 R1078 L1081V951-F955 PolarHBondContact O-N 2.73Å; M952-F955 HydrophobicContact CE-CB 4.16Å; M952-F955 PolarHBondContact O-N 3.46Å; M952-F955 HydrophobicContact SD-CB 4.2Å; F955-Q957 VanDerWaalsContact C-N 3.28Å; F955-Q957 PolarHBondContact O-N 3.32Å; F955-K959 WeakPolarHBondContact O-CA 3.27Å; F955-K959 PolarHBondContact O-N 3.32Å; F955-K960 WeakPolarHBondContact CD2-O 3.21Å; F955-L961 HydrophobicContact CD2-CD2 4.14Å; F955-L961 HydrophobicContact CD2-CG 4.37Å; F955-L961 HydrophobicContact CE2-CD2 4.23Å; F955-L961 HydrophobicContact CE2-CG 4.25Å; F955-V1077 HydrophobicContact CD1-CG1 4.36Å; F955-V1077 HydrophobicContact CE1-CG1 3.84Å; F955-V1077 HydrophobicContact CE2-CG1 4.38Å; F955-V1077 HydrophobicContact CZ-CB 4.41Å; F955-V1077 HydrophobicContact CZ-CG1 3.85Å; F955-R1078 HydrophobicContact CZ-CB 4.49Å; F955-L1081 HydrophobicContact CD1-CD1 3.69Å; F955-L1081 HydrophobicContact CE1-CD1 3.78Å
956Q85.4Confident84.7Confident120 Ų12061.6 Ų61.656%0.56132%0.32SS*.Hα-helixtrans-62.8-35.7-179.9-73.2178.30.900112.6M952 S953 S954 K959M952-Q956 WeakPolarHBondContact O-CG 3.21Å; M952-Q956 PolarHBondContact O-N 3.4Å; S953-Q956 PolarHBondContact O-N 2.83Å; S954-Q956 PolarHBondContact O-N 3.05Å; Q956-K959 WeakPolarHBondContact O-CE 3.41Å; Q956-K959 PolarHBondContact O-NZ 2.63Å
957Q86.4Confident85.3Confident160 Ų16058.5 Ų58.575%0.74830%0.3SS*.Hα-helixtrans-77.8-49.2178.8-68.2172.523.500112.6S953 S954 F955S953-Q957 WeakPolarHBondContact O-CG 3.34Å; S953-Q957 PolarHBondContact O-N 3.36Å; S953-Q957 VanDerWaalsContact O-N 3.16Å; S954-Q957 PolarHBondContact O-N 2.91Å; F955-Q957 VanDerWaalsContact C-N 3.28Å; F955-Q957 PolarHBondContact O-N 3.32Å
958T87.8Confident85.4Confident84 Ų8461.9 Ų61.952%0.51531%0.307SS..Hα-helixtrans-89.4-18.3-172.164.10000114S954 K960S954-T958 WeakPolarHBondContact O-CB 3.43Å; S954-T958 WeakPolarHBondContact O-CG2 3.49Å; S954-T958 PolarHBondContact O-N 3.3Å; S954-T958 PolarHBondContact O-OG1 2.88Å; T958-K960 PolarHBondContact O-N 3.45Å; T958-K960 VanDerWaalsContact O-N 3.14Å; T958-K960 PolarHBondContact OG1-N 3.23Å; T958-K960 PolarHBondContact OG1-O 3.34Å
959K84.6Confident85.6Confident132 Ų13262.7 Ų62.757%0.57431%0.311SS*.SBendtrans56.614-168.2-55.2-54.8-172.6-154.20114.6F955 Q956F955-K959 WeakPolarHBondContact O-CA 3.27Å; F955-K959 PolarHBondContact O-N 3.32Å; Q956-K959 WeakPolarHBondContact O-CE 3.41Å; Q956-K959 PolarHBondContact O-NZ 2.63Å
960K87.7Confident85.7Confident148 Ų14864.6 Ų64.664%0.64332%0.324SS*.SBendtrans-114.4143.2175.9-68.6-174.2178.1-177.20109.8F955 T958 E1074F955-K960 WeakPolarHBondContact CD2-O 3.21Å; T958-K960 PolarHBondContact O-N 3.45Å; T958-K960 VanDerWaalsContact O-N 3.14Å; T958-K960 PolarHBondContact OG1-N 3.23Å; T958-K960 PolarHBondContact OG1-O 3.34Å; K960-E1074 WeakPolarHBondContact CA-OE1 3.38Å
961L89.6Confident85.8Confident16 Ų1661.8 Ų61.88%0.08432%0.319CS..PPolyproline II helixtrans-61.6130.8177.1-79.4164.1000111.3F955 L1070 V1073 E1074 V1077 A1094 H1096 V1103F955-L961 HydrophobicContact CD2-CD2 4.14Å; F955-L961 HydrophobicContact CD2-CG 4.37Å; F955-L961 HydrophobicContact CE2-CD2 4.23Å; F955-L961 HydrophobicContact CE2-CG 4.25Å; L961-L1070 HydrophobicContact CD1-CD1 3.9Å; L961-V1073 HydrophobicContact CD1-CG1 4.31Å; L961-E1074 HydrophobicContact CD1-CG 3.7Å; L961-E1074 HydrophobicContact CG-CG 3.82Å; L961-E1074 PolarHBondContact N-OE1 3.04Å; L961-E1074 VanDerWaalsContact N-OE1 3.09Å; L961-V1077 HydrophobicContact CD2-CG1 4.43Å; L961-V1077 HydrophobicContact CD2-CG2 4.39Å; L961-A1094 HydrophobicContact CD2-CB 3.62Å; L961-H1096 HydrophobicContact CB-CB 3.76Å; L961-V1103 HydrophobicContact CD1-CG1 3.75Å; L961-V1103 HydrophobicContact CD1-CG2 4.34Å
962P88.1Confident86.1Confident9 Ų964.4 Ų64.46%0.05833%0.333CS..PPolyproline II helixtrans-68.3156.8176.726.6-31000111.1V951 M952 E966 H1096V951-P962 HydrophobicContact CB-CG 4.49Å; V951-P962 HydrophobicContact CG1-CB 3.65Å; V951-P962 HydrophobicContact CG1-CG 3.18Å; M952-P962 HydrophobicContact CE-CG 3.54Å; P962-E966 VanDerWaalsContact CB-OE2 3.28Å; P962-E966 WeakPolarHBondContact CB-OE2 3.38Å; P962-H1096 PolarHBondContact O-N 3.32Å
963N85.2Confident86.3Confident55 Ų5564 Ų6429%0.29433%0.332SS..BIsolated β-bridgetrans-71.5148.3-178.3-171.37.3000110.8D965 E966 H1096N963-D965 PolarHBondContact ND2-OD2 2.82Å; N963-D965 PolarHBondContact O-N 3.43Å; N963-D965 VanDerWaalsContact O-N 3.11Å; N963-E966 PolarHBondContact O-N 3.22Å; N963-E966 VanDerWaalsContact O-N 3.09Å; N963-H1096 CarbonylContact C-O 3.38Å; N963-H1096 WeakPolarHBondContact CA-O 3.37Å; N963-H1096 PolarHBondContact OD1-O 2.98Å
964S83.3Confident86.4Confident10 Ų1065.7 Ų65.77%0.0734%0.336CS..G310 helixtrans-58-22.6175.358.90000113.9E966 Y967 Y968 H1096 C1097S964-E966 PolarHBondContact O-N 3.05Å; S964-Y967 CarbonylContact O-C 3.44Å; S964-Y967 VanDerWaalsContact O-C 3.28Å; S964-Y967 PolarHBondContact O-N 3.2Å; S964-Y968 PolarHBondContact O-N 3.35Å; S964-H1096 PolarHBondContact N-O 3.35Å; S964-C1097 WeakPolarHBondContact OG-CA 3.33Å; S964-C1097 WeakPolarHBondContact OG-CB 3.2Å; S964-C1097 PolarHBondContact OG-SG 3.27Å
965D77.4Confident86.7Confident81 Ų8168.4 Ų68.443%0.43334%0.341SS..G310 helixtrans-66.2-13.7177.9-58.1-23.2000112.5N963N963-D965 PolarHBondContact ND2-OD2 2.82Å; N963-D965 PolarHBondContact O-N 3.43Å; N963-D965 VanDerWaalsContact O-N 3.11Å
966E75.6Confident86.7Confident86 Ų8669.5 Ų69.540%0.40235%0.354SS..G310 helixtrans-87.2-16175.5-56.6-179.5-171.300113.8V951 P962 N963 S964V951-E966 HydrophobicContact CG1-CB 4.33Å; V951-E966 HydrophobicContact CG2-CB 3.63Å; V951-E966 WeakPolarHBondContact CG2-O 3.09Å; P962-E966 VanDerWaalsContact CB-OE2 3.28Å; P962-E966 WeakPolarHBondContact CB-OE2 3.38Å; N963-E966 PolarHBondContact O-N 3.22Å; N963-E966 VanDerWaalsContact O-N 3.09Å; S964-E966 PolarHBondContact O-N 3.05Å
967Y90Very high86.8Confident2 Ų267.2 Ų67.21%0.00835%0.35CS..SBendtrans-153.583.1176.8-168.1-103.9000109.7L948 S964 D972 W973 D992 F1106L948-Y967 HydrophobicContact CD1-CE1 3.98Å; L948-Y967 HydrophobicContact CD2-CD1 3.47Å; L948-Y967 VanDerWaalsContact CD2-CD1 3.47Å; L948-Y967 HydrophobicContact CD2-CD2 4.35Å; L948-Y967 HydrophobicContact CD2-CE1 3.65Å; L948-Y967 HydrophobicContact CD2-CG 3.84Å; L948-Y967 HydrophobicContact CG-CD1 3.95Å; L948-Y967 HydrophobicContact CG-CD2 4.26Å; L948-Y967 HydrophobicContact CG-CE1 3.66Å; L948-Y967 HydrophobicContact CG-CE2 4Å; L948-Y967 HydrophobicContact CG-CG 4.22Å; S964-Y967 CarbonylContact O-C 3.44Å; S964-Y967 VanDerWaalsContact O-C 3.28Å; S964-Y967 PolarHBondContact O-N 3.2Å; Y967-D972 WeakPolarHBondContact CA-OD2 3.04Å; Y967-D972 HydrophobicContact CD1-CB 4.48Å; Y967-D972 HydrophobicContact CD2-CB 3.53Å; Y967-D972 HydrophobicContact CE2-CB 3.58Å; Y967-D972 HydrophobicContact CG-CB 4.01Å; Y967-W973 AromaticContact CD1-CD1 3.48Å; Y967-W973 VanDerWaalsContact CD1-CD1 3.48Å; Y967-W973 HydrophobicContact CD1-CG 4.38Å; Y967-W973 AromaticContact CD1-NE1 3.98Å; Y967-W973 HydrophobicContact CE1-CB 3.97Å; Y967-W973 AromaticContact CE1-CD1 3.33Å; Y967-W973 AromaticContact CE1-CG 3.82Å; Y967-W973 HydrophobicContact CE1-CG 3.82Å; Y967-W973 PolarHBondContact O-NE1 2.86Å; Y967-D992 WeakPolarHBondContact OH-CB 3.3Å; Y967-D992 VanDerWaalsContact OH-CG 3.32Å; Y967-D992 PolarHBondContact OH-OD1 3.32Å; Y967-F1106 AromaticContact CD1-CE1 3.89Å; Y967-F1106 HydrophobicContact CD1-CE1 3.89Å; Y967-F1106 AromaticContact CD1-CE2 3.94Å; Y967-F1106 HydrophobicContact CD1-CE2 3.94Å; Y967-F1106 AromaticContact CD1-CZ 3.55Å; Y967-F1106 HydrophobicContact CD1-CZ 3.55Å; Y967-F1106 AromaticContact CE1-CD1 3.98Å; Y967-F1106 HydrophobicContact CE1-CD1 3.98Å; Y967-F1106 AromaticContact CE1-CE1 3.56Å; Y967-F1106 HydrophobicContact CE1-CE1 3.56Å; Y967-F1106 HydrophobicContact CE1-CE2 4.3Å; Y967-F1106 AromaticContact CE1-CZ 3.75Å; Y967-F1106 HydrophobicContact CE1-CZ 3.75Å
968Y86.1Confident86.9Confident88 Ų8862.9 Ų62.935%0.34533%0.331SS..  trans-91.2140.8-159.4-164.6-100.3000112.5S964 V971 D972 W973S964-Y968 PolarHBondContact O-N 3.35Å; Y968-V971 HydrophobicContact CD1-CB 4.31Å; Y968-V971 HydrophobicContact CD1-CG2 3.85Å; Y968-V971 PolarHBondContact O-N 2.87Å; Y968-D972 PolarHBondContact N-OD2 2.72Å; Y968-D972 PolarHBondContact O-N 2.99Å; Y968-W973 PolarHBondContact O-N 2.99Å
969E89.9Confident86.6Confident18 Ų1859.7 Ų59.78%0.08431%0.311CS..BIsolated β-bridgetrans-67.2140.9176.7-175173.9-175.400111.6V971 W973 R975 R1003E969-V971 PolarHBondContact O-N 3.12Å; E969-W973 CarbonylContact C-O 3.58Å; E969-W973 HydrophobicContact CB-CH2 4.26Å; E969-W973 HydrophobicContact CB-CZ2 3.61Å; E969-W973 HydrophobicContact CG-CD2 4.4Å; E969-W973 HydrophobicContact CG-CE3 4.49Å; E969-W973 HydrophobicContact CG-CH2 3.81Å; E969-W973 HydrophobicContact CG-CZ2 3.67Å; E969-W973 HydrophobicContact CG-CZ3 4.21Å; E969-R975 WeakPolarHBondContact OE1-CB 3.5Å; E969-R975 IonicContact OE1-CZ 3Å; E969-R975 IonicContact OE1-NE 2.9Å; E969-R975 PolarHBondContact OE1-NE 3.16Å; E969-R975 IonicContact OE1-NH2 2.61Å; E969-R975 PolarHBondContact OE1-NH2 2.96Å; E969-R975 IonicContact OE2-CZ 2.73Å; E969-R975 IonicContact OE2-NE 2.68Å; E969-R975 IonicContact OE2-NH2 2.64Å; E969-R975 PolarHBondContact OE2-NH2 2.85Å; E969-R1003 IonicContact OE2-CZ 2.85Å; E969-R1003 IonicContact OE2-NH1 2.66Å; E969-R1003 PolarHBondContact OE2-NH1 3.49Å; E969-R1003 IonicContact OE2-NH2 3.03Å; E969-R1003 PolarHBondContact OE2-NH2 2.78Å
970S85.9Confident86.4Confident94 Ų9453.8 Ų53.866%0.65729%0.287SS*.THydrogen-bonded Turntrans69.3-2.9-173.4-52.70000115.4W973S970-W973 WeakPolarHBondContact CA-O 3.45Å; S970-W973 PolarHBondContact N-O 2.97Å
971V87Confident86.1Confident92 Ų9251.9 Ų51.956%0.55828%0.28SS*.THydrogen-bonded Turntrans-115.8-60.5175.6177.60000110.6Y968 E969 V993Y968-V971 HydrophobicContact CD1-CB 4.31Å; Y968-V971 HydrophobicContact CD1-CG2 3.85Å; Y968-V971 PolarHBondContact O-N 2.87Å; E969-V971 PolarHBondContact O-N 3.12Å; V971-V993 WeakPolarHBondContact O-CG2 3.32Å
972D90Very high85Confident56 Ų5652 Ų5230%0.29929%0.285SS..THydrogen-bonded Turntrans-88.5-28.7179.9-66.1-66.2000112.4Y967 Y968 V993Y967-D972 WeakPolarHBondContact CA-OD2 3.04Å; Y967-D972 HydrophobicContact CD1-CB 4.48Å; Y967-D972 HydrophobicContact CD2-CB 3.53Å; Y967-D972 HydrophobicContact CE2-CB 3.58Å; Y967-D972 HydrophobicContact CG-CB 4.01Å; Y968-D972 PolarHBondContact N-OD2 2.72Å; Y968-D972 PolarHBondContact O-N 2.99Å; D972-V993 WeakPolarHBondContact O-CB 3.4Å; D972-V993 PolarHBondContact O-N 3.29Å
973W94Very high84.1Confident1 Ų155.6 Ų55.60%0.00432%0.316CS..EExtended strand (participates in β ladder)trans-146144.6176.566.5-80.5000111.3Y967 Y968 E969 S970 R975 A990 R991 V1001 F1106Y967-W973 AromaticContact CD1-CD1 3.48Å; Y967-W973 VanDerWaalsContact CD1-CD1 3.48Å; Y967-W973 HydrophobicContact CD1-CG 4.38Å; Y967-W973 AromaticContact CD1-NE1 3.98Å; Y967-W973 HydrophobicContact CE1-CB 3.97Å; Y967-W973 AromaticContact CE1-CD1 3.33Å; Y967-W973 AromaticContact CE1-CG 3.82Å; Y967-W973 HydrophobicContact CE1-CG 3.82Å; Y967-W973 PolarHBondContact O-NE1 2.86Å; Y968-W973 PolarHBondContact O-N 2.99Å; E969-W973 CarbonylContact C-O 3.58Å; E969-W973 HydrophobicContact CB-CH2 4.26Å; E969-W973 HydrophobicContact CB-CZ2 3.61Å; E969-W973 HydrophobicContact CG-CD2 4.4Å; E969-W973 HydrophobicContact CG-CE3 4.49Å; E969-W973 HydrophobicContact CG-CH2 3.81Å; E969-W973 HydrophobicContact CG-CZ2 3.67Å; E969-W973 HydrophobicContact CG-CZ3 4.21Å; S970-W973 WeakPolarHBondContact CA-O 3.45Å; S970-W973 PolarHBondContact N-O 2.97Å; W973-R975 HydrophobicContact CH2-CB 4.48Å; W973-R975 HydrophobicContact CZ3-CB 3.83Å; W973-R975 HydrophobicContact CZ3-CG 4.27Å; W973-A990 HydrophobicContact CE3-CB 3.64Å; W973-A990 HydrophobicContact CZ3-CB 3.96Å; W973-R991 CarbonylContact C-O 3.59Å; W973-R991 WeakPolarHBondContact CA-O 3.34Å; W973-V1001 HydrophobicContact CE3-CG2 4.16Å; W973-V1001 HydrophobicContact CH2-CB 4.36Å; W973-V1001 HydrophobicContact CH2-CG1 3.96Å; W973-V1001 HydrophobicContact CH2-CG2 4.21Å; W973-V1001 HydrophobicContact CZ2-CG1 4.47Å; W973-V1001 HydrophobicContact CZ3-CB 4.3Å; W973-V1001 HydrophobicContact CZ3-CG1 4.4Å; W973-V1001 HydrophobicContact CZ3-CG2 3.9Å; W973-F1106 AromaticContact CD1-CE1 3.81Å; W973-F1106 AromaticContact CD2-CE1 3.73Å; W973-F1106 HydrophobicContact CD2-CE1 3.73Å; W973-F1106 HydrophobicContact CD2-CZ 4.36Å; W973-F1106 AromaticContact CE2-CE1 3.59Å; W973-F1106 AromaticContact CE2-CZ 3.76Å; W973-F1106 HydrophobicContact CE3-CE1 4.39Å; W973-F1106 AromaticContact CG-CE1 3.84Å; W973-F1106 HydrophobicContact CG-CE1 3.84Å; W973-F1106 HydrophobicContact CG-CZ 4.46Å; W973-F1106 HydrophobicContact CZ2-CE1 4.1Å; W973-F1106 HydrophobicContact CZ2-CZ 4.14Å; W973-F1106 AromaticContact NE1-CE1 3.65Å; W973-F1106 AromaticContact NE1-CZ 3.54Å
974I87.2Confident83.6Confident83 Ų8361 Ų6143%0.42634%0.337SS..EExtended strand (participates in β ladder)trans-103.6129.7-179.6-62.7161.6000108.8A990 R991 V993I974-A990 CarbonylContact O-C 3.28Å; I974-A990 VanDerWaalsContact O-CA 3.27Å; I974-A990 WeakPolarHBondContact O-CA 3.36Å; I974-R991 PolarHBondContact N-O 2.65Å; I974-R991 PolarHBondContact O-N 3.09Å; I974-V993 HydrophobicContact CD1-CG2 3.8Å; I974-V993 HydrophobicContact CG1-CG2 3.67Å
975R92Very high83.6Confident93 Ų9361.2 Ų61.235%0.35134%0.339SS..EExtended strand (participates in β ladder)trans-76.6130173.2-169.7-162.7-64.6160.817.6110.2E969 W973 Y988E969-R975 WeakPolarHBondContact OE1-CB 3.5Å; E969-R975 IonicContact OE1-CZ 3Å; E969-R975 IonicContact OE1-NE 2.9Å; E969-R975 PolarHBondContact OE1-NE 3.16Å; E969-R975 IonicContact OE1-NH2 2.61Å; E969-R975 PolarHBondContact OE1-NH2 2.96Å; E969-R975 IonicContact OE2-CZ 2.73Å; E969-R975 IonicContact OE2-NE 2.68Å; E969-R975 IonicContact OE2-NH2 2.64Å; E969-R975 PolarHBondContact OE2-NH2 2.85Å; W973-R975 HydrophobicContact CH2-CB 4.48Å; W973-R975 HydrophobicContact CZ3-CB 3.83Å; W973-R975 HydrophobicContact CZ3-CG 4.27Å; R975-Y988 HydrophobicContact CG-CD1 4Å; R975-Y988 HydrophobicContact CG-CG 3.91Å
976G88Confident84.2Confident31 Ų3158.5 Ų58.532%0.3232%0.323SS..EExtended strand (participates in β ladder)trans-102.5-159.917300000112.5Q989G976-Q989 WeakPolarHBondContact CA-O 3.45Å; G976-Q989 PolarHBondContact N-O 2.94Å
977P87.9Confident85Confident73 Ų7354.5 Ų54.547%0.47431%0.305SS..EExtended strand (participates in β ladder)trans-59.6152.3-178.524.2-34.5000112.1L979 Q989P977-L979 PolarHBondContact O-N 3.33Å; P977-Q989 HydrophobicContact CG-CB 4.23Å; P977-Q989 PolarHBondContact O-N 3.11Å
978I87.8Confident85.2Confident68 Ų6855.4 Ų55.435%0.34931%0.309SS..EExtended strand (participates in β ladder)trans-64.8127.3169.3-166.6159.6000108.3H981 Q986 C987 Y988I978-H981 WeakPolarHBondContact CD1-CE1 3.42Å; I978-H981 VanDerWaalsContact CD1-NE2 3.25Å; I978-H981 WeakPolarHBondContact CD1-NE2 3.46Å; I978-Q986 HydrophobicContact CD1-CB 4.36Å; I978-Q986 HydrophobicContact CD1-CG 4.46Å; I978-C987 WeakPolarHBondContact CG1-O 3.35Å; I978-Y988 HydrophobicContact CB-CD1 4.1Å; I978-Y988 HydrophobicContact CB-CE1 4.15Å; I978-Y988 HydrophobicContact CD1-CE1 4.06Å; I978-Y988 HydrophobicContact CG1-CD1 4.2Å; I978-Y988 HydrophobicContact CG1-CE1 4.07Å
979L81.6Confident85.5Confident18 Ų1853.4 Ų53.49%0.09430%0.302CS..EExtended strand (participates in β ladder)trans-91.5-45.5-175.9-90.6-169.6000107.7Y862 D863 P977 C987 Y988 Q989 A1000Y862-L979 CarbonylContact C-O 3.12Å; Y862-L979 VanDerWaalsContact C-O 3.31Å; Y862-L979 WeakPolarHBondContact CA-O 3.37Å; Y862-L979 VanDerWaalsContact CB-C 3.47Å; Y862-L979 VanDerWaalsContact CB-CB 3.48Å; Y862-L979 WeakPolarHBondContact CB-O 3.04Å; Y862-L979 HydrophobicContact CD1-CB 3.32Å; Y862-L979 HydrophobicContact CD1-CG 4.37Å; Y862-L979 WeakPolarHBondContact CD1-O 3.31Å; Y862-L979 HydrophobicContact CD2-CB 3.73Å; Y862-L979 HydrophobicContact CD2-CD1 3.42Å; Y862-L979 VanDerWaalsContact CD2-CD1 3.42Å; Y862-L979 HydrophobicContact CD2-CD2 4.09Å; Y862-L979 HydrophobicContact CD2-CG 3.91Å; Y862-L979 HydrophobicContact CE1-CB 3.73Å; Y862-L979 HydrophobicContact CE2-CB 4.1Å; Y862-L979 HydrophobicContact CE2-CD1 3.53Å; Y862-L979 HydrophobicContact CE2-CG 4.36Å; Y862-L979 HydrophobicContact CG-CB 3.25Å; Y862-L979 HydrophobicContact CG-CD1 3.9Å; Y862-L979 HydrophobicContact CG-CD2 3.98Å; Y862-L979 HydrophobicContact CG-CG 3.84Å; D863-L979 PolarHBondContact N-O 3.42Å; P977-L979 PolarHBondContact O-N 3.33Å; L979-C987 WeakPolarHBondContact CA-O 3.37Å; L979-C987 HydrophobicContact CB-CB 4.41Å; L979-C987 WeakPolarHBondContact CB-O 3.37Å; L979-C987 PolarHBondContact N-O 3.23Å; L979-Y988 VanDerWaalsContact CD1-C 3.44Å; L979-Q989 VanDerWaalsContact CD1-CA 3.45Å; L979-Q989 HydrophobicContact CD1-CB 3.81Å; L979-Q989 VanDerWaalsContact CD1-N 3.26Å; L979-Q989 HydrophobicContact CD2-CB 4.11Å; L979-Q989 HydrophobicContact CG-CB 3.83Å; L979-A1000 HydrophobicContact CD1-CB 4.03Å
980G80.4Confident85.6Confident7 Ų752.6 Ų52.67%0.07230%0.299CS..EExtended strand (participates in β ladder)trans-174.7173.8173.700000114.5C987G980-C987 PolarHBondContact N-O 3.08Å; G980-C987 PolarHBondContact O-N 3.08Å
981H80.3Confident85.7Confident108 Ų10854.1 Ų54.150%0.529%0.29SS..EExtended strand (participates in β ladder)trans-111.3119.3178.9-65.892000110.3I978 Q986 F1012I978-H981 WeakPolarHBondContact CD1-CE1 3.42Å; I978-H981 VanDerWaalsContact CD1-NE2 3.25Å; I978-H981 WeakPolarHBondContact CD1-NE2 3.46Å; H981-Q986 PolarHBondContact NE2-NE2 3.23Å; H981-F1012 AromaticContact CD2-CZ 3.83Å
982G68.3Low85.8Confident19 Ų1949.8 Ų49.820%0.19626%0.264CS..  trans-89.5167163.700000110.9F984 S985G982-F984 PolarHBondContact O-N 3.41Å; G982-F984 VanDerWaalsContact O-N 3.1Å; G982-S985 WeakPolarHBondContact CA-O 3.36Å; G982-S985 PolarHBondContact N-O 3.38Å; G982-S985 PolarHBondContact O-N 3.38Å
983A68.9Low85.6Confident85 Ų8550.4 Ų50.470%0.70227%0.27SS*.SBendtrans-54.6-33179.900000113.4
984F73.9Confident85.1Confident167 Ų16757 Ų5773%0.73230%0.295SS*.SBendtrans-128.45.5-176.8-47.8-65.5000113.2G982G982-F984 PolarHBondContact O-N 3.41Å; G982-F984 VanDerWaalsContact O-N 3.1Å
985S84.4Confident84.8Confident16 Ų1656.3 Ų56.311%0.11230%0.295CS..EExtended strand (participates in β ladder)trans-144151.5-170.165.40000113.4G982 R1003G982-S985 WeakPolarHBondContact CA-O 3.36Å; G982-S985 PolarHBondContact N-O 3.38Å; G982-S985 PolarHBondContact O-N 3.38Å; S985-R1003 CarbonylContact C-O 3.49Å; S985-R1003 WeakPolarHBondContact CA-O 3.47Å; S985-R1003 WeakPolarHBondContact CB-O 3.16Å
986Q90Very high84.2Confident23 Ų2353.1 Ų53.111%0.10729%0.29CS..EExtended strand (participates in β ladder)trans-110.2133.9168.3-67.1-177.7-66.400108.8I978 H981 Y988 R1003 R1005I978-Q986 HydrophobicContact CD1-CB 4.36Å; I978-Q986 HydrophobicContact CD1-CG 4.46Å; H981-Q986 PolarHBondContact NE2-NE2 3.23Å; Q986-Y988 HydrophobicContact CB-CE2 3.67Å; Q986-Y988 WeakPolarHBondContact CB-OH 3.34Å; Q986-Y988 PolarHBondContact OE1-OH 3.16Å; Q986-R1003 PolarHBondContact N-O 2.97Å; Q986-R1003 WeakPolarHBondContact O-CB 3.36Å; Q986-R1003 PolarHBondContact O-N 3.41Å; Q986-R1005 VanDerWaalsContact OE1-CZ 3.29Å
987C91.7Very high84Confident3 Ų354.2 Ų54.22%0.0229%0.289CS..EExtended strand (participates in β ladder)trans-109.8133.2179.6-66.90000109.7Y862 I978 L979 G980 V1001Y862-C987 HydrophobicContact CD1-CB 4.09Å; Y862-C987 HydrophobicContact CE1-CB 3.08Å; Y862-C987 VanDerWaalsContact CZ-CB 3.49Å; Y862-C987 VanDerWaalsContact OH-CB 3.27Å; Y862-C987 WeakPolarHBondContact OH-CB 3.36Å; Y862-C987 PolarHBondContact OH-SG 3.2Å; Y862-C987 VanDerWaalsContact OH-SG 3.41Å; I978-C987 WeakPolarHBondContact CG1-O 3.35Å; L979-C987 WeakPolarHBondContact CA-O 3.37Å; L979-C987 HydrophobicContact CB-CB 4.41Å; L979-C987 WeakPolarHBondContact CB-O 3.37Å; L979-C987 PolarHBondContact N-O 3.23Å; G980-C987 PolarHBondContact N-O 3.08Å; G980-C987 PolarHBondContact O-N 3.08Å; C987-V1001 CarbonylContact C-O 3.15Å; C987-V1001 VanDerWaalsContact CA-O 3.23Å; C987-V1001 WeakPolarHBondContact CA-O 3.36Å
988Y93Very high84Confident20 Ų2053.8 Ų53.88%0.07828%0.282CS..EExtended strand (participates in β ladder)trans-123.6152.6-179.3-54.2-86.4000110.4R975 I978 L979 Q986 A1000 V1001 R1003R975-Y988 HydrophobicContact CG-CD1 4Å; R975-Y988 HydrophobicContact CG-CG 3.91Å; I978-Y988 HydrophobicContact CB-CD1 4.1Å; I978-Y988 HydrophobicContact CB-CE1 4.15Å; I978-Y988 HydrophobicContact CD1-CE1 4.06Å; I978-Y988 HydrophobicContact CG1-CD1 4.2Å; I978-Y988 HydrophobicContact CG1-CE1 4.07Å; L979-Y988 VanDerWaalsContact CD1-C 3.44Å; Q986-Y988 HydrophobicContact CB-CE2 3.67Å; Q986-Y988 WeakPolarHBondContact CB-OH 3.34Å; Q986-Y988 PolarHBondContact OE1-OH 3.16Å; Y988-A1000 CarbonylContact O-C 3.6Å; Y988-A1000 WeakPolarHBondContact O-CA 3.45Å; Y988-V1001 PolarHBondContact N-O 3.4Å; Y988-V1001 PolarHBondContact O-N 3.37Å; Y988-R1003 HydrophobicContact CE2-CB 4Å
989Q92.2Very high84.2Confident46 Ų4650.5 Ų50.522%0.21527%0.265CS..EExtended strand (participates in β ladder)trans-70.3145.4161.8-169.7177.3-3.600106.8G976 P977 L979G976-Q989 WeakPolarHBondContact CA-O 3.45Å; G976-Q989 PolarHBondContact N-O 2.94Å; P977-Q989 HydrophobicContact CG-CB 4.23Å; P977-Q989 PolarHBondContact O-N 3.11Å; L979-Q989 VanDerWaalsContact CD1-CA 3.45Å; L979-Q989 HydrophobicContact CD1-CB 3.81Å; L979-Q989 VanDerWaalsContact CD1-N 3.26Å; L979-Q989 HydrophobicContact CD2-CB 4.11Å; L979-Q989 HydrophobicContact CG-CB 3.83Å
990A93.2Very high84.7Confident2 Ų249.7 Ų49.72%0.01726%0.261CS..EExtended strand (participates in β ladder)trans-141.1158.7175.700000110.3W973 I974 L998 L999 V1001W973-A990 HydrophobicContact CE3-CB 3.64Å; W973-A990 HydrophobicContact CZ3-CB 3.96Å; I974-A990 CarbonylContact O-C 3.28Å; I974-A990 VanDerWaalsContact O-CA 3.27Å; I974-A990 WeakPolarHBondContact O-CA 3.36Å; A990-L998 WeakPolarHBondContact O-CA 3.31Å; A990-L999 HydrophobicContact CB-CB 4.1Å; A990-L999 PolarHBondContact N-O 3.28Å; A990-L999 PolarHBondContact O-N 2.58Å; A990-V1001 HydrophobicContact CB-CB 4.37Å; A990-V1001 HydrophobicContact CB-CG2 3.44Å; A990-V1001 VanDerWaalsContact CB-CG2 3.44Å
991R88.6Confident85.4Confident125 Ų12549.3 Ų49.347%0.47226%0.257SS..EExtended strand (participates in β ladder)trans-131.6121.4171.9-175.3-179.3178.7-147.6-6109W973 I974 V993 G996 L997 L998W973-R991 CarbonylContact C-O 3.59Å; W973-R991 WeakPolarHBondContact CA-O 3.34Å; I974-R991 PolarHBondContact N-O 2.65Å; I974-R991 PolarHBondContact O-N 3.09Å; R991-V993 PolarHBondContact O-N 3.47Å; R991-G996 PolarHBondContact NE-O 2.58Å; R991-L997 WeakPolarHBondContact CA-O 3.44Å; R991-L998 HydrophobicContact CB-CD2 4.06Å; R991-L998 HydrophobicContact CG-CD2 4.27Å
992D89.4Confident86.1Confident2 Ų246.6 Ų46.61%0.01124%0.244CC..EExtended strand (participates in β ladder)trans-65.2125168172.388.1000108.5I945 Y967 R994 T995 G996 L997 L999I945-D992 HydrophobicContact CG2-CB 4.45Å; I945-D992 VanDerWaalsContact CG2-OD1 3.26Å; I945-D992 WeakPolarHBondContact CG2-OD1 3.39Å; Y967-D992 WeakPolarHBondContact OH-CB 3.3Å; Y967-D992 VanDerWaalsContact OH-CG 3.32Å; Y967-D992 PolarHBondContact OH-OD1 3.32Å; D992-R994 VanDerWaalsContact C-N 3.33Å; D992-R994 PolarHBondContact O-N 2.94Å; D992-R994 PolarHBondContact OD2-N 3.28Å; D992-T995 WeakPolarHBondContact OD2-CA 3.35Å; D992-T995 WeakPolarHBondContact OD2-CB 3.44Å; D992-T995 VanDerWaalsContact OD2-CG2 3.31Å; D992-T995 WeakPolarHBondContact OD2-CG2 3.34Å; D992-T995 PolarHBondContact OD2-N 3.04Å; D992-T995 PolarHBondContact OD2-OG1 3.21Å; D992-G996 WeakPolarHBondContact O-CA 3.22Å; D992-G996 PolarHBondContact O-N 3.1Å; D992-L997 PolarHBondContact N-O 3.43Å; D992-L999 HydrophobicContact CB-CD1 4.31Å
993V83.9Confident87.3Confident69 Ų6946.3 Ų46.342%0.41824%0.237SC..THydrogen-bonded Turntrans-65.8-39.3-1731730000110.8V971 D972 I974 R991V971-V993 WeakPolarHBondContact O-CG2 3.32Å; D972-V993 WeakPolarHBondContact O-CB 3.4Å; D972-V993 PolarHBondContact O-N 3.29Å; I974-V993 HydrophobicContact CD1-CG2 3.8Å; I974-V993 HydrophobicContact CG1-CG2 3.67Å; R991-V993 PolarHBondContact O-N 3.47Å
994R83.8Confident88.4Confident140 Ų14043 Ų4353%0.52821%0.207SC..THydrogen-bonded Turntrans-76.4-43.3-172.4-174.2167.953.267.625.6113.6P946 D992P946-R994 VanDerWaalsContact CB-NH1 3.33Å; D992-R994 VanDerWaalsContact C-N 3.33Å; D992-R994 PolarHBondContact O-N 2.94Å; D992-R994 PolarHBondContact OD2-N 3.28Å
995T81Confident89Confident68 Ų6840 Ų4042%0.41719%0.191SC..THydrogen-bonded Turntrans-93.5-17.5-179.664.30000112.2D992 L997D992-T995 WeakPolarHBondContact OD2-CA 3.35Å; D992-T995 WeakPolarHBondContact OD2-CB 3.44Å; D992-T995 VanDerWaalsContact OD2-CG2 3.31Å; D992-T995 WeakPolarHBondContact OD2-CG2 3.34Å; D992-T995 PolarHBondContact OD2-N 3.04Å; D992-T995 PolarHBondContact OD2-OG1 3.21Å; T995-L997 PolarHBondContact O-N 3.43Å; T995-L997 VanDerWaalsContact OG1-CB 3.24Å; T995-L997 WeakPolarHBondContact OG1-CB 3.08Å; T995-L997 PolarHBondContact OG1-N 2.96Å
996G79.4Confident89Confident25 Ų2540 Ų4026%0.25819%0.189SC..  trans69.76-171.300000113.9R991 D992R991-G996 PolarHBondContact NE-O 2.58Å; D992-G996 WeakPolarHBondContact O-CA 3.22Å; D992-G996 PolarHBondContact O-N 3.1Å
997L85.4Confident87.9Confident55 Ų5540.4 Ų40.429%0.28820%0.201SC..  trans-68.2132.3-175.2-175.963.1000110.9I945 R991 D992 T995 L999 F1092I945-L997 HydrophobicContact CD1-CD2 3.96Å; I945-L997 HydrophobicContact CG1-CD2 3.87Å; R991-L997 WeakPolarHBondContact CA-O 3.44Å; D992-L997 PolarHBondContact N-O 3.43Å; T995-L997 PolarHBondContact O-N 3.43Å; T995-L997 VanDerWaalsContact OG1-CB 3.24Å; T995-L997 WeakPolarHBondContact OG1-CB 3.08Å; T995-L997 PolarHBondContact OG1-N 2.96Å; L997-L999 HydrophobicContact CD2-CD2 4.15Å; L997-L999 HydrophobicContact CG-CD2 4.24Å; L997-F1092 HydrophobicContact CD2-CE1 4.38Å; L997-F1092 HydrophobicContact CD2-CZ 4.08Å
998L87.1Confident86.3Confident63 Ų6349.5 Ų49.533%0.3323%0.234SC..EExtended strand (participates in β ladder)trans-79.1135.4172.4-69.7178.3000111A990 R991 W1109A990-L998 WeakPolarHBondContact O-CA 3.31Å; R991-L998 HydrophobicContact CB-CD2 4.06Å; R991-L998 HydrophobicContact CG-CD2 4.27Å; L998-W1109 HydrophobicContact CB-CD2 4.21Å; L998-W1109 HydrophobicContact CB-CE3 3.8Å; L998-W1109 HydrophobicContact CB-CZ3 4.31Å; L998-W1109 HydrophobicContact CD1-CE3 3.88Å; L998-W1109 HydrophobicContact CD1-CH2 3.87Å; L998-W1109 HydrophobicContact CD1-CZ3 3.52Å
999L91.2Very high83.8Confident0 Ų055.7 Ų55.70%027%0.269CS..EExtended strand (participates in β ladder)trans-133.9163.5-174.3-62.9177.3000110I945 A990 D992 L997 F1092 F1106I945-L999 HydrophobicContact CD1-CD1 3.54Å; I945-L999 HydrophobicContact CD1-CD2 3.78Å; I945-L999 HydrophobicContact CD1-CG 4.14Å; A990-L999 HydrophobicContact CB-CB 4.1Å; A990-L999 PolarHBondContact N-O 3.28Å; A990-L999 PolarHBondContact O-N 2.58Å; D992-L999 HydrophobicContact CB-CD1 4.31Å; L997-L999 HydrophobicContact CD2-CD2 4.15Å; L997-L999 HydrophobicContact CG-CD2 4.24Å; L999-F1092 HydrophobicContact CD2-CD2 3.39Å; L999-F1092 HydrophobicContact CD2-CE2 3.21Å; L999-F1092 HydrophobicContact CD2-CG 4.32Å; L999-F1092 HydrophobicContact CD2-CZ 4.05Å; L999-F1106 HydrophobicContact CD1-CD1 4.31Å
1000A93.4Very high81.2Confident0 Ų056.8 Ų56.80%029%0.292CS..EExtended strand (participates in β ladder)trans-110.4137.4159.300000108.7Y862 L979 Y988 I1107Y862-A1000 HydrophobicContact CE2-CB 3.8Å; L979-A1000 HydrophobicContact CD1-CB 4.03Å; Y988-A1000 CarbonylContact O-C 3.6Å; Y988-A1000 WeakPolarHBondContact O-CA 3.45Å; A1000-I1107 HydrophobicContact CB-CD1 4.23Å; A1000-I1107 HydrophobicContact CB-CG1 3.85Å; A1000-I1107 PolarHBondContact N-O 2.81Å; A1000-I1107 WeakPolarHBondContact O-CG1 3.31Å; A1000-I1107 PolarHBondContact O-N 3.06Å; A1000-I1107 VanDerWaalsContact O-O 3.13Å
1001V94.5Very high78.4Confident0 Ų065 Ų650%033%0.333CS..EExtended strand (participates in β ladder)trans-114114.7177.9174.90000108.6W973 C987 Y988 A990 D1104 L1105 F1106W973-V1001 HydrophobicContact CE3-CG2 4.16Å; W973-V1001 HydrophobicContact CH2-CB 4.36Å; W973-V1001 HydrophobicContact CH2-CG1 3.96Å; W973-V1001 HydrophobicContact CH2-CG2 4.21Å; W973-V1001 HydrophobicContact CZ2-CG1 4.47Å; W973-V1001 HydrophobicContact CZ3-CB 4.3Å; W973-V1001 HydrophobicContact CZ3-CG1 4.4Å; W973-V1001 HydrophobicContact CZ3-CG2 3.9Å; C987-V1001 CarbonylContact C-O 3.15Å; C987-V1001 VanDerWaalsContact CA-O 3.23Å; C987-V1001 WeakPolarHBondContact CA-O 3.36Å; Y988-V1001 PolarHBondContact N-O 3.4Å; Y988-V1001 PolarHBondContact O-N 3.37Å; A990-V1001 HydrophobicContact CB-CB 4.37Å; A990-V1001 HydrophobicContact CB-CG2 3.44Å; A990-V1001 VanDerWaalsContact CB-CG2 3.44Å; V1001-D1104 HydrophobicContact CG1-CB 3.83Å; V1001-L1105 CarbonylContact C-O 3.47Å; V1001-L1105 WeakPolarHBondContact CA-O 3.43Å; V1001-F1106 HydrophobicContact CG1-CE1 4.48Å; V1001-F1106 HydrophobicContact CG2-CD1 3.44Å; V1001-F1106 VanDerWaalsContact CG2-CD1 3.44Å; V1001-F1106 HydrophobicContact CG2-CE1 3.59Å; V1001-F1106 HydrophobicContact CG2-CG 4.34Å
1002K94.2Very high75.8Confident51 Ų5166.5 Ų66.522%0.22234%0.343CS..EExtended strand (participates in β ladder)trans-93.5106.6174175.6-175.6173.1-1660108.7I1004 E1076 L1105 I1107K1002-I1004 HydrophobicContact CG-CG1 4.47Å; K1002-E1076 IonicContact NZ-OE1 2.71Å; K1002-E1076 PolarHBondContact NZ-OE1 3.37Å; K1002-E1076 IonicContact NZ-OE2 3.43Å; K1002-L1105 HydrophobicContact CB-CB 4.19Å; K1002-L1105 HydrophobicContact CD-CD2 4.45Å; K1002-L1105 PolarHBondContact N-O 3.34Å; K1002-L1105 PolarHBondContact O-N 3.28Å; K1002-I1107 HydrophobicContact CB-CD1 4.48Å
1003R94Very high72.6Confident13 Ų1371.2 Ų71.25%0.04938%0.376CS..EExtended strand (participates in β ladder)trans-93121.8179.1-178162.9-70.5178.9-1.1111.6E969 S985 Q986 Y988 F1102 V1103 D1104E969-R1003 IonicContact OE2-CZ 2.85Å; E969-R1003 IonicContact OE2-NH1 2.66Å; E969-R1003 PolarHBondContact OE2-NH1 3.49Å; E969-R1003 IonicContact OE2-NH2 3.03Å; E969-R1003 PolarHBondContact OE2-NH2 2.78Å; S985-R1003 CarbonylContact C-O 3.49Å; S985-R1003 WeakPolarHBondContact CA-O 3.47Å; S985-R1003 WeakPolarHBondContact CB-O 3.16Å; Q986-R1003 PolarHBondContact N-O 2.97Å; Q986-R1003 WeakPolarHBondContact O-CB 3.36Å; Q986-R1003 PolarHBondContact O-N 3.41Å; Y988-R1003 HydrophobicContact CE2-CB 4Å; R1003-F1102 HydrophobicContact CG-CB 4.05Å; R1003-F1102 HydrophobicContact CG-CD2 3.97Å; R1003-F1102 HydrophobicContact CG-CG 4.03Å; R1003-F1102 VanDerWaalsContact CZ-CE2 3.46Å; R1003-F1102 VanDerWaalsContact CZ-CZ 3.46Å; R1003-V1103 CarbonylContact C-O 3.59Å; R1003-V1103 WeakPolarHBondContact CA-O 3.14Å; R1003-D1104 WeakPolarHBondContact CA-OD1 2.89Å; R1003-D1104 WeakPolarHBondContact CB-OD1 3.27Å; R1003-D1104 VanDerWaalsContact CG-OD1 3.23Å; R1003-D1104 WeakPolarHBondContact CG-OD1 3.23Å; R1003-D1104 IonicContact CZ-OD1 2.76Å; R1003-D1104 IonicContact CZ-OD2 3.58Å; R1003-D1104 IonicContact NE-OD1 3.9Å; R1003-D1104 PolarHBondContact NE-OD1 3.49Å; R1003-D1104 IonicContact NE-OD2 2.65Å; R1003-D1104 PolarHBondContact NE-OD2 3.24Å; R1003-D1104 IonicContact NH2-OD1 2.6Å; R1003-D1104 IonicContact NH2-OD2 2.78Å; R1003-D1104 PolarHBondContact NH2-OD2 3.19Å
1004I91.4Very high70Confident16 Ų1674.3 Ų74.38%0.08239%0.389CS..EExtended strand (participates in β ladder)trans-111.8119.7-179.8-55.7173.8000108.6K1002 V1073 F1102 V1103 L1105K1002-I1004 HydrophobicContact CG-CG1 4.47Å; I1004-V1073 HydrophobicContact CD1-CG1 4.16Å; I1004-V1073 HydrophobicContact CD1-CG2 3.7Å; I1004-V1073 HydrophobicContact CG2-CG2 4.19Å; I1004-F1102 CarbonylContact O-C 3.54Å; I1004-F1102 WeakPolarHBondContact O-CA 3.36Å; I1004-F1102 VanDerWaalsContact O-CB 3.26Å; I1004-F1102 WeakPolarHBondContact O-CB 3.3Å; I1004-V1103 PolarHBondContact N-O 2.87Å; I1004-V1103 PolarHBondContact O-N 3.18Å; I1004-L1105 HydrophobicContact CD1-CD1 3.88Å; I1004-L1105 HydrophobicContact CD1-CD2 4.46Å
1005R88.1Confident67.2Low104 Ų10477 Ų7739%0.39241%0.405SS..EExtended strand (participates in β ladder)trans-83.1132.7176.8-69.6-170176.793.55.4110.5Q986 F1102Q986-R1005 VanDerWaalsContact OE1-CZ 3.29Å; R1005-F1102 HydrophobicContact CG-CB 4.41Å
1006L84.3Confident64.5Low14 Ų1479.1 Ų79.17%0.07342%0.423CS..  trans-95.8132.7177.7-57.2175.8000110Q1069 L1070 H1096 G1101 V1103L1006-Q1069 HydrophobicContact CD2-CB 3.96Å; L1006-L1070 HydrophobicContact CD1-CB 4.34Å; L1006-L1070 HydrophobicContact CD1-CD1 3.99Å; L1006-L1070 HydrophobicContact CD2-CB 4.39Å; L1006-H1096 VanDerWaalsContact CD1-NE2 3.3Å; L1006-H1096 WeakPolarHBondContact CD1-NE2 3.37Å; L1006-G1101 PolarHBondContact N-O 3.28Å; L1006-V1103 HydrophobicContact CD1-CG2 3.84Å; L1006-V1103 HydrophobicContact CD2-CG2 4.17Å; L1006-V1103 HydrophobicContact CG-CG2 4.14Å
1007G66.9Low62Low33 Ų3383.5 Ų83.534%0.3445%0.45SS..SBendtrans84.613.1163.400000118.9S1066G1007-S1066 WeakPolarHBondContact CA-OG 3.43Å; G1007-S1066 PolarHBondContact N-OG 2.77Å
1008R56.4Low59.1Low194 Ų19490.2 Ų90.273%0.73248%0.479SS*.SBendtrans-113.8126.5165.7-75.9-178.8173.3168.1-2109.1G1010R1008-G1010 PolarHBondContact O-N 3.49Å
1009N41.9Very low56.1Low150 Ų15095.8 Ų95.880%0.80250%0.501SS*.  trans-48.7125.8167.7-72.4-4.1000107.6M1011N1009-M1011 PolarHBondContact O-N 2.92Å
1010G37.8Very low52.9Low69 Ų69102.8 Ų102.871%0.71154%0.538SS*.SBendtrans-64.854.5-165.100000116.9R1008R1008-G1010 PolarHBondContact O-N 3.49Å
1011M32.9Very low49.7Very low174 Ų174111.6 Ų111.686%0.85758%0.577SS**  trans-117.3115.7170-91171.856.500109.5N1009 S1013N1009-M1011 PolarHBondContact O-N 2.92Å; M1011-S1013 PolarHBondContact O-N 3.01Å; M1011-S1013 VanDerWaalsContact O-N 3.14Å
1012F33.9Very low46.3Very low156 Ų156116.4 Ų116.468%0.68462%0.617SS**  trans-52.8109.9170.1-90.9-107.5000110.5H981H981-F1012 AromaticContact CD2-CZ 3.83Å
1013S22.5Very low42.8Very low101 Ų101124.8 Ų124.871%0.70665%0.648SS**  trans-134.698.1160.1-1770000107.6M1011M1011-S1013 PolarHBondContact O-N 3.01Å; M1011-S1013 VanDerWaalsContact O-N 3.14Å
1014L29.3Very low39.5Very low134 Ų134129.9 Ų129.970%0.70268%0.683SS**  trans-136.654.2169.9-109.6167.8000107.9
1015F26.3Very low36.2Very low198 Ų198134.5 Ų134.587%0.86872%0.717SS**  trans-148.689.6156.5-71.5-69.7000107.1
1016S24.4Very low33.3Very low112 Ų112138.9 Ų138.978%0.78374%0.742SS**  trans-165.9107.1151.2-81.40000108.3E1018S1016-E1018 PolarHBondContact O-N 3Å
1017S25.1Very low30.3Very low117 Ų117144.9 Ų144.982%0.81877%0.772SS**  trans-49.7120.7167.9176.10000110.2K1019S1017-K1019 PolarHBondContact O-N 3.38Å
1018E25.5Very low28.4Very low195 Ų195150.9 Ų150.991%0.91180%0.797SS**  trans-79.498.7171.8-75.7177165.900109.1S1016S1016-E1018 PolarHBondContact O-N 3Å
1019K24Very low26.8Very low180 Ų180149.3 Ų149.378%0.78380%0.798SS**  trans-118.9113148-77.4-172.5177.2-175.40106.1S1017S1017-K1019 PolarHBondContact O-N 3.38Å
1020N23.8Very low26.3Very low147 Ų147151.1 Ų151.179%0.78680%0.802SS**  trans161134.4134.4-85.9-37.6000114.8
1021K25.9Very low25.6Very low185 Ų185154.7 Ų154.780%0.80480%0.804SS**  trans99.781.7146.4-69.3160.3-175.7-171.50119.2
1022A23.7Very low25.4Very low102 Ų102154 Ų15484%0.84380%0.804SS**  25.2121.311300000119.3
1023Y21Very low24.9Very low226 Ų226155 Ų15589%0.88681%0.811SS**PPolyproline II helixtrans-83.5148.4170.1-88.4-102.6000112.5
1024P23.8Very low25Very low120 Ų120158.2 Ų158.278%0.77981%0.814SS**PPolyproline II helixtrans-94.4137.3170.732.7-25000112.8
1025S22.5Very low25Very low113 Ų113158.6 Ų158.679%0.7982%0.817SS**PPolyproline II helixtrans-69.3139.1-176-32.30000113.7
1026Q27.4Very low24.9Very low197 Ų197158 Ų15892%0.92182%0.817SS**  trans-128.7109.1160.8-72.1-173500109.7
1027I21.3Very low25.1Very low139 Ų139158.5 Ų158.571%0.71382%0.818SS**  trans-76.8128.9170.8-71.4162000107.7
1028N27.5Very low25.1Very low160 Ų160159.4 Ų159.486%0.85681%0.813SS**  trans-149.1108.6148.7-114.3-11.8000110.3
1029Q23.2Very low25.1Very low161 Ų161156 Ų15675%0.75281%0.81SS**  trans-74.5134.6169.2-62.9166.74.200108.2
1030Q29.7Very low25.2Very low188 Ų188154.2 Ų154.288%0.87981%0.808SS**  trans-159.592.7152.1-108.1151.925.400109.4
1031N23.3Very low25.5Very low144 Ų144154 Ų15477%0.7781%0.808SS**  trans-63.2139.9155.3-65.8-30.2000108.4
1032N29Very low25.5Very low160 Ų160151.6 Ų151.686%0.85680%0.804SS**  176.5125.2117.5-83.7-17000110.6
1033H24.2Very low25.8Very low177 Ų177154.3 Ų154.382%0.81980%0.804SS**  trans-51.6148.8157.8-80.6-92000111.2
1034E24.6Very low26Very low168 Ų168150.6 Ų150.679%0.78580%0.799SS**  163.9119.2123.3-86.8174.9-16200113
1035N27.7Very low26.3Very low142 Ų142151.8 Ų151.876%0.75980%0.799SS**  trans75.5114.6132.3-54.6-28.9000122.4
1036E24.5Very low26.5Very low186 Ų186153.7 Ų153.787%0.86980%0.8SS**  trans-33.3150.1155.3-76.2-169.8142.900116.5
1037P29.1Very low26.5Very low122 Ų122151.3 Ų151.379%0.79279%0.794SS**  -148.8133.486.133.7-12.6000117.9
1038N25.9Very low26.7Very low136 Ų136149.1 Ų149.173%0.72779%0.791SS**  trans7.2117.6141.9-164.41.9000119.8
1039C24.7Very low26.7Very low123 Ų123147.6 Ų147.683%0.83178%0.783SS**  trans-141.4124.815159.20000112.1
1040N26.6Very low27Very low142 Ų142148.2 Ų148.276%0.75979%0.791SS**  trans-76.1133.9169.5-77.2-34.2000110.8
1041N29.3Very low26.8Very low144 Ų144145.4 Ų145.477%0.7778%0.783SS**  177.6120.3128.1-104.9-26.1000112.5
1042N26.7Very low27Very low134 Ų134141.8 Ų141.872%0.71778%0.779SS**  trans21.7113.5135.3-52.9-23.4000118.1
1043N29.9Very low26.9Very low159 Ų159143.2 Ų143.285%0.8578%0.781SS**  -174.6124.4112.8-94.8-23.2000110.9N1045N1043-N1045 PolarHBondContact O-N 3.1Å
1044D26Very low27Very low148 Ų148143.7 Ų143.779%0.79178%0.783SS**  trans-53.7123.9165-57.8-59.4000110.4
1045N28.7Very low27Very low144 Ų144142.6 Ų142.677%0.7778%0.783SS**  trans177.3121.8135.4-90.7-35.9000110.5N1043N1043-N1045 PolarHBondContact O-N 3.1Å
1046N27.1Very low27.1Very low154 Ų154141 Ų14182%0.82478%0.78SS**  trans64.5104.7156.3-54.7-30.9000116.2
1047N27.1Very low27.7Very low146 Ų146137.6 Ų137.678%0.78177%0.767SS**  157.9124.5106.9-1584.8000110.4
1048S26.3Very low28.1Very low94 Ų94142.8 Ų142.866%0.65777%0.772SS**  trans51.8110.6151.3-61.20000119.6
1049N27.7Very low29.1Very low127 Ų127141.9 Ų141.968%0.67976%0.763SS**  trans-164.694.6142.8-100.1-18.4000111.1N1051N1049-N1051 PolarHBondContact OD1-ND2 3.36Å
1050N28.9Very low30.4Very low174 Ų174147 Ų14793%0.9377%0.765SS**  trans-127.273.1142.3-87.1-22.2000106.2G1052N1050-G1052 VanDerWaalsContact C-N 3.33Å; N1050-G1052 PolarHBondContact O-N 3.43Å; N1050-G1052 VanDerWaalsContact O-N 3.12Å
1051N25.2Very low32.2Very low130 Ų130145.8 Ų145.870%0.69577%0.765SS**  trans-73.686.6167.5-76.2-21.6000108.7N1049N1049-N1051 PolarHBondContact OD1-ND2 3.36Å
1052G28.4Very low34Very low68 Ų68141.3 Ų141.370%0.70174%0.741SS**  trans-84.5100.2149.500000106.9N1050 Q1054N1050-G1052 VanDerWaalsContact C-N 3.33Å; N1050-G1052 PolarHBondContact O-N 3.43Å; N1050-G1052 VanDerWaalsContact O-N 3.12Å; G1052-Q1054 VanDerWaalsContact C-N 3.31Å; G1052-Q1054 PolarHBondContact O-N 2.86Å
1053Q25.7Very low36.4Very low190 Ų190137.2 Ų137.289%0.88872%0.723SS**  trans-59.486.1-179-70.7157.8-41.400110.9
1054Q27.2Very low38.6Very low186 Ų186134.4 Ų134.487%0.86971%0.713SS**  trans-87.9111.3161.3-76.9177.8200107.3G1052G1052-Q1054 VanDerWaalsContact C-N 3.31Å; G1052-Q1054 PolarHBondContact O-N 2.86Å
1055N23.8Very low41Very low146 Ų146131 Ų13178%0.78170%0.698SS**  trans-48.7122-179.5-138.6-5.3000110.3I1057N1055-I1057 VanDerWaalsContact C-N 3.3Å; N1055-I1057 PolarHBondContact O-N 2.9Å
1056P31.4Very low43.4Very low108 Ų108124.4 Ų124.470%0.70166%0.663SS**  trans-73.589.2177.728.7-30.3000108.4Y1058P1056-Y1058 PolarHBondContact O-N 3.25Å; P1056-Y1058 VanDerWaalsContact O-N 3.13Å
1057I35.3Very low46.1Very low115 Ų115121.3 Ų121.359%0.5965%0.646SS**  trans-52.8120.4171.6-65169.1000107.3N1055 H1059N1055-I1057 VanDerWaalsContact C-N 3.3Å; N1055-I1057 PolarHBondContact O-N 2.9Å; I1057-H1059 VanDerWaalsContact C-N 3.27Å; I1057-H1059 PolarHBondContact O-CD2 3.06Å; I1057-H1059 VanDerWaalsContact O-CD2 3.31Å; I1057-H1059 PolarHBondContact O-N 3.41Å
1058Y37.6Very low48.9Very low231 Ų231120 Ų12091%0.90664%0.639SS**  trans-53.779.4-179.1-67-89.1000112.5P1056 R1060P1056-Y1058 PolarHBondContact O-N 3.25Å; P1056-Y1058 VanDerWaalsContact O-N 3.13Å; Y1058-R1060 PolarHBondContact O-N 3.01Å
1059H46.8Very low51.8Low117 Ų117118.3 Ų118.354%0.54262%0.62SS.*  trans-83.297.7167.2-71.8-67.2000107.8I1057 P1061I1057-H1059 VanDerWaalsContact C-N 3.27Å; I1057-H1059 PolarHBondContact O-CD2 3.06Å; I1057-H1059 VanDerWaalsContact O-CD2 3.31Å; I1057-H1059 PolarHBondContact O-N 3.41Å; H1059-P1061 VanDerWaalsContact O-CD 3.3Å; H1059-P1061 WeakPolarHBondContact O-CD 3.36Å; H1059-P1061 VanDerWaalsContact O-N 3.16Å
1060R52.7Low54.7Low231 Ų231113.1 Ų113.187%0.87259%0.593SS**PPolyproline II helixtrans-55.6120.2162.8-177-177.2-67.7-161.30.1107.1Y1058 L1062Y1058-R1060 PolarHBondContact O-N 3.01Å; R1060-L1062 PolarHBondContact O-N 2.95Å
1061P63.5Low57.6Low116 Ų116107 Ų10775%0.75357%0.567SS**PPolyproline II helixtrans-59.3136.1178.717.1-24.8000110H1059H1059-P1061 VanDerWaalsContact O-CD 3.3Å; H1059-P1061 WeakPolarHBondContact O-CD 3.36Å; H1059-P1061 VanDerWaalsContact O-N 3.16Å
1062L67.9Low60.6Low49 Ų49107.3 Ų107.326%0.25756%0.564SS.*PPolyproline II helixtrans-58.3139.1175.8-75.1167.8000109.6R1060 L1067 L1070R1060-L1062 PolarHBondContact O-N 2.95Å; L1062-L1067 HydrophobicContact CB-CD2 3.82Å; L1062-L1067 HydrophobicContact CB-CG 3.89Å; L1062-L1067 HydrophobicContact CD1-CD2 3.91Å; L1062-L1070 HydrophobicContact CD1-CD2 4.14Å
1063S77.1Confident63.6Low48 Ų48104.4 Ų104.434%0.33653%0.533SS..PPolyproline II helixtrans-61.3154.2174.678.70000110.5T1065 S1066 L1067S1063-T1065 PolarHBondContact O-N 3.41Å; S1063-T1065 VanDerWaalsContact O-N 3.14Å; S1063-S1066 WeakPolarHBondContact O-CA 3.49Å; S1063-S1066 WeakPolarHBondContact O-CB 3.15Å; S1063-S1066 PolarHBondContact O-N 3.46Å; S1063-S1066 PolarHBondContact OG-N 3.44Å; S1063-S1066 VanDerWaalsContact OG-N 3.11Å; S1063-S1066 PolarHBondContact OG-OG 2.81Å; S1063-L1067 PolarHBondContact O-N 3.35Å
1064P76Confident66.7Low100 Ų10097.4 Ų97.465%0.64950%0.5SS*.Hα-helixtrans-52.5-37.2175.2-26.333.9000112.9L1067 N1068P1064-L1067 PolarHBondContact O-N 2.98Å; P1064-N1068 PolarHBondContact O-N 2.94Å; P1064-N1068 VanDerWaalsContact O-N 3.1Å
1065T77.4Confident69.7Low77 Ų7791.5 Ų91.547%0.47248%0.477SS..Hα-helixtrans-65-43.3175.9-52.40000111.9S1063 L1067 N1068 Q1069S1063-T1065 PolarHBondContact O-N 3.41Å; S1063-T1065 VanDerWaalsContact O-N 3.14Å; T1065-L1067 VanDerWaalsContact C-N 3.33Å; T1065-L1067 PolarHBondContact O-N 3.4Å; T1065-N1068 PolarHBondContact O-N 2.86Å; T1065-Q1069 WeakPolarHBondContact O-CG 3.44Å; T1065-Q1069 PolarHBondContact O-N 2.76Å
1066S78.7Confident72.8Confident6 Ų687.5 Ų87.54%0.04245%0.453CS..Hα-helixtrans-63.9-38.2176.3-50.20000112.2G1007 S1063 Q1069 L1070G1007-S1066 WeakPolarHBondContact CA-OG 3.43Å; G1007-S1066 PolarHBondContact N-OG 2.77Å; S1063-S1066 WeakPolarHBondContact O-CA 3.49Å; S1063-S1066 WeakPolarHBondContact O-CB 3.15Å; S1063-S1066 PolarHBondContact O-N 3.46Å; S1063-S1066 PolarHBondContact OG-N 3.44Å; S1063-S1066 VanDerWaalsContact OG-N 3.11Å; S1063-S1066 PolarHBondContact OG-OG 2.81Å; S1066-Q1069 PolarHBondContact O-N 3.13Å; S1066-L1070 WeakPolarHBondContact O-CB 3.49Å; S1066-L1070 PolarHBondContact O-N 2.9Å
1067L84.4Confident75.7Confident89 Ų8982.4 Ų82.447%0.46642%0.42SS..Hα-helixtrans-65.7-40.9177.5-71.3172.1000111.6L1062 S1063 P1064 T1065 L1070 A1071L1062-L1067 HydrophobicContact CB-CD2 3.82Å; L1062-L1067 HydrophobicContact CB-CG 3.89Å; L1062-L1067 HydrophobicContact CD1-CD2 3.91Å; S1063-L1067 PolarHBondContact O-N 3.35Å; P1064-L1067 PolarHBondContact O-N 2.98Å; T1065-L1067 VanDerWaalsContact C-N 3.33Å; T1065-L1067 PolarHBondContact O-N 3.4Å; L1067-L1070 PolarHBondContact O-N 3.36Å; L1067-A1071 WeakPolarHBondContact O-CB 3.41Å; L1067-A1071 PolarHBondContact O-N 2.81Å
1068N86Confident78.2Confident117 Ų11782.6 Ų82.663%0.62641%0.413SS*.Hα-helixtrans-65.1-42174.7-69.6-19000111.9P1064 T1065 A1071 E1072P1064-N1068 PolarHBondContact O-N 2.94Å; P1064-N1068 VanDerWaalsContact O-N 3.1Å; T1065-N1068 PolarHBondContact O-N 2.86Å; N1068-A1071 PolarHBondContact O-N 2.95Å; N1068-E1072 PolarHBondContact O-N 3.14Å
1069Q86Confident80.7Confident59 Ų5974.6 Ų74.628%0.27639%0.385SS..Hα-helixtrans-61.2-44.4174.2-73.8174.4-1000111.5L1006 T1065 S1066 A1071 E1072 V1073L1006-Q1069 HydrophobicContact CD2-CB 3.96Å; T1065-Q1069 WeakPolarHBondContact O-CG 3.44Å; T1065-Q1069 PolarHBondContact O-N 2.76Å; S1066-Q1069 PolarHBondContact O-N 3.13Å; Q1069-A1071 VanDerWaalsContact C-N 3.35Å; Q1069-A1071 PolarHBondContact O-N 2.9Å; Q1069-E1072 PolarHBondContact O-N 2.69Å; Q1069-V1073 WeakPolarHBondContact O-CG2 2.95Å; Q1069-V1073 PolarHBondContact O-N 3.07Å
1070L89.1Confident82.8Confident19 Ų1970.8 Ų70.810%0.09937%0.368CS..Hα-helixtrans-61.5-44.6177.1-178.364.8000111.1L961 L1006 L1062 S1066 L1067 E1072 V1073 E1074 V1103L961-L1070 HydrophobicContact CD1-CD1 3.9Å; L1006-L1070 HydrophobicContact CD1-CB 4.34Å; L1006-L1070 HydrophobicContact CD1-CD1 3.99Å; L1006-L1070 HydrophobicContact CD2-CB 4.39Å; L1062-L1070 HydrophobicContact CD1-CD2 4.14Å; S1066-L1070 WeakPolarHBondContact O-CB 3.49Å; S1066-L1070 PolarHBondContact O-N 2.9Å; L1067-L1070 PolarHBondContact O-N 3.36Å; L1070-E1072 VanDerWaalsContact C-N 3.33Å; L1070-E1072 PolarHBondContact O-N 3.49Å; L1070-V1073 PolarHBondContact O-N 3.38Å; L1070-E1074 WeakPolarHBondContact O-CG 3.25Å; L1070-E1074 PolarHBondContact O-N 2.96Å; L1070-V1103 HydrophobicContact CD1-CG2 3.88Å
1071A88.7Confident84.4Confident46 Ų4662.4 Ų62.438%0.3834%0.341SS..Hα-helixtrans-61-40.8176.500000112L1067 N1068 Q1069 E1074 T1075L1067-A1071 WeakPolarHBondContact O-CB 3.41Å; L1067-A1071 PolarHBondContact O-N 2.81Å; N1068-A1071 PolarHBondContact O-N 2.95Å; Q1069-A1071 VanDerWaalsContact C-N 3.35Å; Q1069-A1071 PolarHBondContact O-N 2.9Å; A1071-E1074 PolarHBondContact O-N 3.12Å; A1071-T1075 WeakPolarHBondContact O-CG2 3.26Å; A1071-T1075 PolarHBondContact O-N 3.14Å
1072E88.4Confident85.5Confident135 Ų13562.8 Ų62.863%0.63133%0.332SS*.Hα-helixtrans-62.1-46.5175.1-172.8173.6-168.600111.4N1068 Q1069 L1070 E1074 T1075 E1076N1068-E1072 PolarHBondContact O-N 3.14Å; Q1069-E1072 PolarHBondContact O-N 2.69Å; L1070-E1072 VanDerWaalsContact C-N 3.33Å; L1070-E1072 PolarHBondContact O-N 3.49Å; E1072-E1074 VanDerWaalsContact C-N 3.34Å; E1072-E1074 PolarHBondContact O-N 3.37Å; E1072-T1075 PolarHBondContact O-N 3.1Å; E1072-T1075 VanDerWaalsContact O-N 3.1Å; E1072-T1075 PolarHBondContact O-OG1 3.02Å; E1072-E1076 PolarHBondContact O-N 3.36Å
1073V90.9Very high86.5Confident8 Ų861.4 Ų61.45%0.04833%0.325CS..Hα-helixtrans-62.2-40.5176.2176.20000111.6L961 I1004 Q1069 L1070 T1075 E1076 V1077 V1103 L1105L961-V1073 HydrophobicContact CD1-CG1 4.31Å; I1004-V1073 HydrophobicContact CD1-CG1 4.16Å; I1004-V1073 HydrophobicContact CD1-CG2 3.7Å; I1004-V1073 HydrophobicContact CG2-CG2 4.19Å; Q1069-V1073 WeakPolarHBondContact O-CG2 2.95Å; Q1069-V1073 PolarHBondContact O-N 3.07Å; L1070-V1073 PolarHBondContact O-N 3.38Å; V1073-T1075 VanDerWaalsContact C-N 3.28Å; V1073-T1075 PolarHBondContact O-N 3.48Å; V1073-E1076 WeakPolarHBondContact O-CB 3.15Å; V1073-E1076 PolarHBondContact O-N 3.19Å; V1073-E1076 VanDerWaalsContact O-N 3.16Å; V1073-V1077 HydrophobicContact CG1-CG2 4.39Å; V1073-V1077 WeakPolarHBondContact O-CG2 3.47Å; V1073-V1077 PolarHBondContact O-N 2.96Å; V1073-V1103 HydrophobicContact CG1-CB 4.24Å; V1073-V1103 HydrophobicContact CG1-CG1 3.85Å; V1073-V1103 HydrophobicContact CG1-CG2 4.4Å; V1073-L1105 HydrophobicContact CG1-CD1 4Å
1074E91.9Very high86.9Confident43 Ų4364.9 Ų64.920%0.20134%0.34CS..Hα-helixtrans-61.4-36.6174.4-77-178.6160.700112K960 L961 L1070 A1071 E1072 R1078K960-E1074 WeakPolarHBondContact CA-OE1 3.38Å; L961-E1074 HydrophobicContact CD1-CG 3.7Å; L961-E1074 HydrophobicContact CG-CG 3.82Å; L961-E1074 PolarHBondContact N-OE1 3.04Å; L961-E1074 VanDerWaalsContact N-OE1 3.09Å; L1070-E1074 WeakPolarHBondContact O-CG 3.25Å; L1070-E1074 PolarHBondContact O-N 2.96Å; A1071-E1074 PolarHBondContact O-N 3.12Å; E1072-E1074 VanDerWaalsContact C-N 3.34Å; E1072-E1074 PolarHBondContact O-N 3.37Å; E1074-R1078 WeakPolarHBondContact O-CB 3.42Å; E1074-R1078 PolarHBondContact O-N 2.81Å
1075T89.5Confident87.5Confident62 Ų6262.1 Ų62.138%0.3832%0.318SS..Hα-helixtrans-68.1-40.2172.466.40000113A1071 E1072 V1073 R1078 I1079A1071-T1075 WeakPolarHBondContact O-CG2 3.26Å; A1071-T1075 PolarHBondContact O-N 3.14Å; E1072-T1075 PolarHBondContact O-N 3.1Å; E1072-T1075 VanDerWaalsContact O-N 3.1Å; E1072-T1075 PolarHBondContact O-OG1 3.02Å; V1073-T1075 VanDerWaalsContact C-N 3.28Å; V1073-T1075 PolarHBondContact O-N 3.48Å; T1075-R1078 PolarHBondContact O-N 2.82Å; T1075-I1079 WeakPolarHBondContact O-CG1 3.36Å; T1075-I1079 PolarHBondContact O-N 2.78Å; T1075-I1079 VanDerWaalsContact O-N 3.08Å
1076E89.6Confident87.8Confident62 Ų6260.9 Ų60.929%0.2931%0.311SS..Hα-helixtrans-59.3-50.2174.8-176.1179.8170.800110.3K1002 E1072 V1073 R1078 I1079 M1080K1002-E1076 IonicContact NZ-OE1 2.71Å; K1002-E1076 PolarHBondContact NZ-OE1 3.37Å; K1002-E1076 IonicContact NZ-OE2 3.43Å; E1072-E1076 PolarHBondContact O-N 3.36Å; V1073-E1076 WeakPolarHBondContact O-CB 3.15Å; V1073-E1076 PolarHBondContact O-N 3.19Å; V1073-E1076 VanDerWaalsContact O-N 3.16Å; E1076-R1078 PolarHBondContact O-N 2.92Å; E1076-I1079 PolarHBondContact O-N 2.88Å; E1076-M1080 HydrophobicContact CG-CG 4.5Å; E1076-M1080 HydrophobicContact CG-SD 4Å; E1076-M1080 WeakPolarHBondContact O-CG 3.23Å; E1076-M1080 PolarHBondContact O-N 3.09Å
1077V91.3Very high88.3Confident0 Ų062.6 Ų62.60%032%0.32CS..Hα-helixtrans-58.4-46.3177.8169.30000111.3F955 L961 V1073 I1079 M1080 L1081 L1091 A1094 L1105F955-V1077 HydrophobicContact CD1-CG1 4.36Å; F955-V1077 HydrophobicContact CE1-CG1 3.84Å; F955-V1077 HydrophobicContact CE2-CG1 4.38Å; F955-V1077 HydrophobicContact CZ-CB 4.41Å; F955-V1077 HydrophobicContact CZ-CG1 3.85Å; L961-V1077 HydrophobicContact CD2-CG1 4.43Å; L961-V1077 HydrophobicContact CD2-CG2 4.39Å; V1073-V1077 HydrophobicContact CG1-CG2 4.39Å; V1073-V1077 WeakPolarHBondContact O-CG2 3.47Å; V1073-V1077 PolarHBondContact O-N 2.96Å; V1077-I1079 VanDerWaalsContact C-N 3.32Å; V1077-I1079 PolarHBondContact O-N 2.75Å; V1077-M1080 PolarHBondContact O-N 2.87Å; V1077-L1081 HydrophobicContact CG1-CD1 3.82Å; V1077-L1081 HydrophobicContact CG1-CG 4.23Å; V1077-L1081 WeakPolarHBondContact O-CB 3.17Å; V1077-L1081 VanDerWaalsContact O-CG 3.3Å; V1077-L1081 WeakPolarHBondContact O-CG 3.46Å; V1077-L1081 PolarHBondContact O-N 2.88Å; V1077-L1091 HydrophobicContact CB-CD2 4.24Å; V1077-L1091 HydrophobicContact CG1-CD2 3.99Å; V1077-L1091 HydrophobicContact CG2-CD2 4.22Å; V1077-A1094 HydrophobicContact CG1-CB 4.23Å; V1077-A1094 HydrophobicContact CG2-CB 3.63Å; V1077-L1105 HydrophobicContact CG2-CD2 4.47Å; V1077-L1105 HydrophobicContact CG2-CG 4.29Å
1078R89.4Confident88.5Confident119 Ų11959.7 Ų59.745%0.44931%0.305SS..Hα-helixtrans-60.3-40.8179-179.9176.559.986.61.4112.5F955 E1074 T1075 E1076 Q1082F955-R1078 HydrophobicContact CZ-CB 4.49Å; E1074-R1078 WeakPolarHBondContact O-CB 3.42Å; E1074-R1078 PolarHBondContact O-N 2.81Å; T1075-R1078 PolarHBondContact O-N 2.82Å; E1076-R1078 PolarHBondContact O-N 2.92Å; R1078-Q1082 WeakPolarHBondContact O-CG 3.34Å
1079I89.7Confident88.6Confident63 Ų6356.6 Ų56.632%0.32329%0.288SS..Hα-helixtrans-68.1-50.5177.7-67.8166.8000109.6T1075 E1076 V1077 L1081 Q1082 L1083 I1149T1075-I1079 WeakPolarHBondContact O-CG1 3.36Å; T1075-I1079 PolarHBondContact O-N 2.78Å; T1075-I1079 VanDerWaalsContact O-N 3.08Å; E1076-I1079 PolarHBondContact O-N 2.88Å; V1077-I1079 VanDerWaalsContact C-N 3.32Å; V1077-I1079 PolarHBondContact O-N 2.75Å; I1079-L1081 VanDerWaalsContact C-N 3.34Å; I1079-L1081 PolarHBondContact O-N 2.87Å; I1079-Q1082 WeakPolarHBondContact O-CB 3.41Å; I1079-Q1082 PolarHBondContact O-N 2.87Å; I1079-Q1082 VanDerWaalsContact O-N 3.08Å; I1079-L1083 HydrophobicContact CG2-CD1 4.47Å; I1079-L1083 WeakPolarHBondContact O-CG 3.46Å; I1079-I1149 HydrophobicContact CG2-CD1 3.75Å; I1079-I1149 HydrophobicContact CG2-CG1 4.37Å
1080M90.6Very high88.7Confident38 Ų3856.7 Ų56.719%0.18729%0.286CS..Hα-helixtrans-63.9-35.4-175.8-69.6-176.378.600113.4E1076 V1077 Q1082 L1083 L1091 I1107E1076-M1080 HydrophobicContact CG-CG 4.5Å; E1076-M1080 HydrophobicContact CG-SD 4Å; E1076-M1080 WeakPolarHBondContact O-CG 3.23Å; E1076-M1080 PolarHBondContact O-N 3.09Å; V1077-M1080 PolarHBondContact O-N 2.87Å; M1080-Q1082 PolarHBondContact O-N 2.86Å; M1080-L1083 PolarHBondContact O-N 2.83Å; M1080-L1083 VanDerWaalsContact O-N 3.11Å; M1080-L1091 HydrophobicContact CB-CB 3.85Å; M1080-L1091 HydrophobicContact CB-CD2 3.76Å; M1080-L1091 HydrophobicContact CB-CG 4.44Å; M1080-L1091 HydrophobicContact CE-CB 4.12Å; M1080-L1091 HydrophobicContact SD-CD2 4.47Å; M1080-I1107 HydrophobicContact CE-CG2 4.24Å
1081L87.1Confident88.8Confident55 Ų5556 Ų5629%0.28828%0.282SS..THydrogen-bonded Turntrans-64.1-18175.9-75.1176.3000113.5M952 F955 V1077 I1079 L1091M952-L1081 HydrophobicContact SD-CD1 4.27Å; F955-L1081 HydrophobicContact CD1-CD1 3.69Å; F955-L1081 HydrophobicContact CE1-CD1 3.78Å; V1077-L1081 HydrophobicContact CG1-CD1 3.82Å; V1077-L1081 HydrophobicContact CG1-CG 4.23Å; V1077-L1081 WeakPolarHBondContact O-CB 3.17Å; V1077-L1081 VanDerWaalsContact O-CG 3.3Å; V1077-L1081 WeakPolarHBondContact O-CG 3.46Å; V1077-L1081 PolarHBondContact O-N 2.88Å; I1079-L1081 VanDerWaalsContact C-N 3.34Å; I1079-L1081 PolarHBondContact O-N 2.87Å; L1081-L1091 HydrophobicContact CD2-CD2 4.19Å; L1081-L1091 HydrophobicContact CD2-CG 4.41Å; L1081-L1091 HydrophobicContact CG-CD2 4.08Å
1082Q85.5Confident88.9Confident124 Ų12454.4 Ų54.458%0.57927%0.267SS*.THydrogen-bonded Turntrans-90.8-3.3177.7-63.7174.6-7.700112.8R1078 I1079 M1080R1078-Q1082 WeakPolarHBondContact O-CG 3.34Å; I1079-Q1082 WeakPolarHBondContact O-CB 3.41Å; I1079-Q1082 PolarHBondContact O-N 2.87Å; I1079-Q1082 VanDerWaalsContact O-N 3.08Å; M1080-Q1082 PolarHBondContact O-N 2.86Å
1083L89.2Confident89Confident19 Ų1948 Ų4810%0.09924%0.237CC..  trans-102.7127.5-176-55.1178.3000111.1I1079 M1080 I1088 Y1143 L1144 I1149I1079-L1083 HydrophobicContact CG2-CD1 4.47Å; I1079-L1083 WeakPolarHBondContact O-CG 3.46Å; M1080-L1083 PolarHBondContact O-N 2.83Å; M1080-L1083 VanDerWaalsContact O-N 3.11Å; L1083-I1088 HydrophobicContact CB-CG2 4.3Å; L1083-I1088 HydrophobicContact CD1-CG2 4.11Å; L1083-Y1143 HydrophobicContact CB-CE1 4.34Å; L1083-Y1143 HydrophobicContact CD2-CE1 3.85Å; L1083-L1144 HydrophobicContact CD1-CD2 3.72Å; L1083-L1144 HydrophobicContact CD2-CD2 4.07Å; L1083-I1149 HydrophobicContact CD2-CD1 3.62Å; L1083-I1149 HydrophobicContact CG-CD1 4.5Å
1084D86.6Confident89.2Confident122 Ų12247.6 Ų47.665%0.65223%0.234SC*.  trans-14096.7173.7-172.722.4000109.7Y1143D1084-Y1143 PolarHBondContact N-OH 3.33Å; D1084-Y1143 WeakPolarHBondContact O-CE2 3.44Å; D1084-Y1143 VanDerWaalsContact O-CZ 3.3Å; D1084-Y1143 PolarHBondContact O-OH 2.77Å; D1084-Y1143 VanDerWaalsContact O-OH 3.1Å
1085H87Confident89.2Confident42 Ų4245.7 Ų45.719%0.19423%0.225CC..  trans-154.5138.9-178.4-174.2-92.6000111.1N1087 I1088 Y1143H1085-N1087 PolarHBondContact CE1-OD1 2.84Å; H1085-N1087 PolarHBondContact ND1-N 2.92Å; H1085-N1087 VanDerWaalsContact ND1-N 3.13Å; H1085-N1087 PolarHBondContact O-N 3.25Å; H1085-N1087 VanDerWaalsContact O-N 3.11Å; H1085-I1088 HydrophobicContact CB-CB 4.22Å; H1085-I1088 HydrophobicContact CB-CD1 3.89Å; H1085-I1088 HydrophobicContact CB-CG1 4.06Å; H1085-I1088 PolarHBondContact O-N 2.83Å; H1085-I1088 VanDerWaalsContact O-O 3.05Å; H1085-Y1143 HydrophobicContact CB-CD1 3.82Å; H1085-Y1143 HydrophobicContact CB-CD2 3.87Å; H1085-Y1143 HydrophobicContact CB-CE1 3.97Å; H1085-Y1143 HydrophobicContact CB-CE2 4.01Å; H1085-Y1143 HydrophobicContact CB-CG 3.75Å; H1085-Y1143 AromaticContact CD2-CD2 3.49Å; H1085-Y1143 VanDerWaalsContact CD2-CD2 3.49Å; H1085-Y1143 WeakPolarHBondContact CD2-CD2 3.41Å; H1085-Y1143 AromaticContact CD2-CG 3.69Å; H1085-Y1143 AromaticContact CG-CD2 3.9Å; H1085-Y1143 AromaticContact CG-CG 3.75Å
1086P84.9Confident89.4Confident50 Ų5043.4 Ų43.433%0.32521%0.21SC..THydrogen-bonded Turntrans-60.7-26.5-17523.2-36.8000115.3R855 L939R855-P1086 PolarHBondContact NE-O 2.94Å; R855-P1086 PolarHBondContact NH2-O 3.14Å; R855-P1086 VanDerWaalsContact NH2-O 3.14Å; L939-P1086 HydrophobicContact CD1-CB 4Å; L939-P1086 HydrophobicContact CD1-CG 4.39Å; L939-P1086 HydrophobicContact CD2-CB 3.7Å
1087N88.7Confident89.4Confident43 Ų4340.7 Ų40.723%0.2320%0.198CC..THydrogen-bonded Turntrans-100.719.2177.8-53.5113.6000113.5H1085 Q1136H1085-N1087 PolarHBondContact CE1-OD1 2.84Å; H1085-N1087 PolarHBondContact ND1-N 2.92Å; H1085-N1087 VanDerWaalsContact ND1-N 3.13Å; H1085-N1087 PolarHBondContact O-N 3.25Å; H1085-N1087 VanDerWaalsContact O-N 3.11Å; N1087-Q1136 WeakPolarHBondContact CB-O 3.46Å; N1087-Q1136 WeakPolarHBondContact ND2-CB 3.47Å; N1087-Q1136 PolarHBondContact ND2-OE1 3.43Å
1088I88.3Confident89Confident28 Ų2843.3 Ų43.314%0.14421%0.214CC..SBendtrans-126.2136.2172.2-61.7177.3000107.4L1083 H1085 R1090 Y1143 L1144L1083-I1088 HydrophobicContact CB-CG2 4.3Å; L1083-I1088 HydrophobicContact CD1-CG2 4.11Å; H1085-I1088 HydrophobicContact CB-CB 4.22Å; H1085-I1088 HydrophobicContact CB-CD1 3.89Å; H1085-I1088 HydrophobicContact CB-CG1 4.06Å; H1085-I1088 PolarHBondContact O-N 2.83Å; H1085-I1088 VanDerWaalsContact O-O 3.05Å; I1088-R1090 PolarHBondContact O-N 2.8Å; I1088-Y1143 HydrophobicContact CD1-CD1 3.34Å; I1088-Y1143 HydrophobicContact CD1-CE1 3.96Å; I1088-Y1143 HydrophobicContact CD1-CG 4.16Å; I1088-L1144 HydrophobicContact CD1-CD2 3.66Å; I1088-L1144 HydrophobicContact CD1-CG 3.71Å
1089L88Confident88.5Confident52 Ų5244.9 Ų44.927%0.27222%0.224SC..PPolyproline II helixtrans-64.4123175.9-84.5174.4000110.3A857 E1108 M1110A857-L1089 HydrophobicContact CB-CD1 4.37Å; L1089-E1108 HydrophobicContact CD2-CB 4.08Å; L1089-E1108 HydrophobicContact CD2-CG 4.38Å; L1089-M1110 HydrophobicContact CD2-CG 3.3Å; L1089-M1110 HydrophobicContact CD2-SD 3.84Å; L1089-M1110 HydrophobicContact CG-CG 4.44Å
1090R88.2Confident88.2Confident61 Ų6148.8 Ų48.823%0.2324%0.235CC..PPolyproline II helixtrans-80.2133.7178.6177.5173.414676.9-1.3111I1088 I1107 E1108I1088-R1090 PolarHBondContact O-N 2.8Å; R1090-I1107 WeakPolarHBondContact O-CA 3.49Å; R1090-E1108 HydrophobicContact CB-CB 4.37Å; R1090-E1108 PolarHBondContact O-N 2.83Å
1091L91.9Very high87.9Confident3 Ų347.8 Ų47.82%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-89.7126.6166.1-177.369.1000109.2V1077 M1080 L1081 G1093 L1105 F1106 I1107V1077-L1091 HydrophobicContact CB-CD2 4.24Å; V1077-L1091 HydrophobicContact CG1-CD2 3.99Å; V1077-L1091 HydrophobicContact CG2-CD2 4.22Å; M1080-L1091 HydrophobicContact CB-CB 3.85Å; M1080-L1091 HydrophobicContact CB-CD2 3.76Å; M1080-L1091 HydrophobicContact CB-CG 4.44Å; M1080-L1091 HydrophobicContact CE-CB 4.12Å; M1080-L1091 HydrophobicContact SD-CD2 4.47Å; L1081-L1091 HydrophobicContact CD2-CD2 4.19Å; L1081-L1091 HydrophobicContact CD2-CG 4.41Å; L1081-L1091 HydrophobicContact CG-CD2 4.08Å; L1091-G1093 WeakPolarHBondContact CD1-O 3.37Å; L1091-L1105 HydrophobicContact CD1-CB 4.03Å; L1091-L1105 HydrophobicContact CD1-CG 4.34Å; L1091-F1106 WeakPolarHBondContact CD1-O 3.48Å; L1091-I1107 HydrophobicContact CD1-CG2 3.57Å
1092F90Very high88.1Confident14 Ų1445.9 Ų45.96%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-87.2-33.4173.7-66.5-74.1000112.5L942 I945 L948 L997 L999 F1106 E1108L942-F1092 HydrophobicContact CB-CE1 3.89Å; L942-F1092 HydrophobicContact CB-CZ 3.98Å; L942-F1092 HydrophobicContact CD1-CE1 4.46Å; L942-F1092 HydrophobicContact CD1-CZ 3.81Å; L942-F1092 HydrophobicContact CG-CZ 4.39Å; I945-F1092 HydrophobicContact CD1-CB 4.21Å; I945-F1092 HydrophobicContact CD1-CD1 4.17Å; I945-F1092 HydrophobicContact CD1-CD2 4.37Å; I945-F1092 HydrophobicContact CD1-CG 4.03Å; I945-F1092 HydrophobicContact CG1-CD1 4.41Å; L948-F1092 HydrophobicContact CD1-CB 3.88Å; L997-F1092 HydrophobicContact CD2-CE1 4.38Å; L997-F1092 HydrophobicContact CD2-CZ 4.08Å; L999-F1092 HydrophobicContact CD2-CD2 3.39Å; L999-F1092 HydrophobicContact CD2-CE2 3.21Å; L999-F1092 HydrophobicContact CD2-CG 4.32Å; L999-F1092 HydrophobicContact CD2-CZ 4.05Å; F1092-F1106 HydrophobicContact CB-CB 4.35Å; F1092-F1106 WeakPolarHBondContact CB-O 3.27Å; F1092-F1106 PolarHBondContact N-O 3.24Å; F1092-E1108 HydrophobicContact CE2-CB 4.26Å
1093G91.5Very high88.5Confident0 Ų040 Ų400%020%0.196CC..EExtended strand (participates in β ladder)trans172.7178.917600000112.3M952 L1091 F1106M952-G1093 VanDerWaalsContact CG-CA 3.49Å; M952-G1093 WeakPolarHBondContact SD-CA 3.41Å; L1091-G1093 WeakPolarHBondContact CD1-O 3.37Å; G1093-F1106 PolarHBondContact N-O 2.83Å; G1093-F1106 PolarHBondContact O-N 2.9Å
1094A94.2Very high88.8Confident0 Ų039.3 Ų39.30%019%0.193CC..EExtended strand (participates in β ladder)trans-146.3143.7176.300000111.9M952 L961 V1077 D1104 L1105M952-A1094 WeakPolarHBondContact CE-O 3.39Å; M952-A1094 PolarHBondContact SD-N 3.5Å; M952-A1094 VanDerWaalsContact SD-N 3.43Å; L961-A1094 HydrophobicContact CD2-CB 3.62Å; V1077-A1094 HydrophobicContact CG1-CB 4.23Å; V1077-A1094 HydrophobicContact CG2-CB 3.63Å; A1094-D1104 CarbonylContact C-O 3.51Å; A1094-D1104 WeakPolarHBondContact CA-O 2.86Å; A1094-L1105 HydrophobicContact CB-CD1 4.42Å; A1094-L1105 HydrophobicContact CB-CG 4.23Å
1095V93.3Very high89.2Confident2 Ų233.5 Ų33.51%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-130.1146.4177.5-57.60000111.1V951 V1103 D1104 F1106V951-V1095 HydrophobicContact CG1-CG1 3.84Å; V1095-V1103 CarbonylContact O-C 3.59Å; V1095-V1103 WeakPolarHBondContact O-CA 3.37Å; V1095-V1103 WeakPolarHBondContact O-CG1 3.12Å; V1095-D1104 HydrophobicContact CG2-CB 4.07Å; V1095-D1104 PolarHBondContact N-O 3.37Å; V1095-D1104 PolarHBondContact O-N 2.79Å; V1095-F1106 HydrophobicContact CB-CE2 4.48Å; V1095-F1106 HydrophobicContact CG1-CE2 4.14Å; V1095-F1106 HydrophobicContact CG2-CE2 3.77Å; V1095-F1106 HydrophobicContact CG2-CZ 4.2Å
1096H93.1Very high89.6Confident14 Ų1431.5 Ų31.57%0.06515%0.153CC..EExtended strand (participates in β ladder)trans-107.7114.1179.7175.5-149.1000110.2L961 P962 N963 S964 L1006 V1098 V1103L961-H1096 HydrophobicContact CB-CB 3.76Å; P962-H1096 PolarHBondContact O-N 3.32Å; N963-H1096 CarbonylContact C-O 3.38Å; N963-H1096 WeakPolarHBondContact CA-O 3.37Å; N963-H1096 PolarHBondContact OD1-O 2.98Å; S964-H1096 PolarHBondContact N-O 3.35Å; L1006-H1096 VanDerWaalsContact CD1-NE2 3.3Å; L1006-H1096 WeakPolarHBondContact CD1-NE2 3.37Å; H1096-V1098 PolarHBondContact O-N 3.4Å; H1096-V1103 HydrophobicContact CB-CG2 4.44Å
1097C89.4Confident89.9Confident6 Ų629.9 Ų29.94%0.04114%0.141CC..EExtended strand (participates in β ladder)trans-88.192.3172.5-168.90000109.8S964 K1099 R1100 G1101 F1102S964-C1097 WeakPolarHBondContact OG-CA 3.33Å; S964-C1097 WeakPolarHBondContact OG-CB 3.2Å; S964-C1097 PolarHBondContact OG-SG 3.27Å; C1097-K1099 VanDerWaalsContact C-N 3.33Å; C1097-K1099 PolarHBondContact O-N 2.92Å; C1097-R1100 HydrophobicContact CB-CB 4.44Å; C1097-R1100 PolarHBondContact O-N 3.05Å; C1097-G1101 PolarHBondContact O-N 3.15Å; C1097-F1102 HydrophobicContact CB-CD1 4.47Å; C1097-F1102 HydrophobicContact CB-CD2 3.82Å; C1097-F1102 HydrophobicContact CB-CE1 4.24Å; C1097-F1102 HydrophobicContact CB-CE2 3.47Å; C1097-F1102 VanDerWaalsContact CB-CE2 3.47Å; C1097-F1102 HydrophobicContact CB-CG 4.29Å; C1097-F1102 HydrophobicContact CB-CZ 3.72Å; C1097-F1102 PolarHBondContact N-O 3.36Å; C1097-F1102 PolarHBondContact O-N 3.3Å
1098V83.4Confident90Very high54 Ų5428.5 Ų28.533%0.32713%0.133SC..THydrogen-bonded Turntrans-61.4-42.8-179.1-176.60000111.1H1096 R1100 G1101H1096-V1098 PolarHBondContact O-N 3.4Å; V1098-R1100 VanDerWaalsContact C-N 3.35Å; V1098-R1100 PolarHBondContact O-N 2.95Å; V1098-G1101 PolarHBondContact O-N 3.16Å
1099K79.1Confident89.9Confident153 Ų15330.9 Ų30.967%0.66514%0.14SC*.THydrogen-bonded Turntrans-61.4-40.6-177.3-68.1-179.8-178.8170.40112.5C1097C1097-K1099 VanDerWaalsContact C-N 3.33Å; C1097-K1099 PolarHBondContact O-N 2.92Å
1100R82.2Confident89.7Confident145 Ų14529.1 Ų29.155%0.54713%0.131SC..THydrogen-bonded Turntrans-97.8-5.2-177.8-60-178.5177176-3.5113.6C1097 V1098 F1102C1097-R1100 HydrophobicContact CB-CB 4.44Å; C1097-R1100 PolarHBondContact O-N 3.05Å; V1098-R1100 VanDerWaalsContact C-N 3.35Å; V1098-R1100 PolarHBondContact O-N 2.95Å; R1100-F1102 HydrophobicContact CB-CD1 3.55Å; R1100-F1102 HydrophobicContact CB-CE1 3.21Å; R1100-F1102 HydrophobicContact CB-CZ 4.07Å; R1100-F1102 VanDerWaalsContact CD-CE1 3.48Å; R1100-F1102 HydrophobicContact CG-CE1 3.97Å
1101G85.4Confident89.1Confident17 Ų1728.9 Ų28.918%0.17514%0.137CC..THydrogen-bonded Turntrans67.843.6175.800000114.1L1006 C1097 V1098L1006-G1101 PolarHBondContact N-O 3.28Å; C1097-G1101 PolarHBondContact O-N 3.15Å; V1098-G1101 PolarHBondContact O-N 3.16Å
1102F90.8Very high88.2Confident15 Ų1529.8 Ų29.87%0.06615%0.147CC..EExtended strand (participates in β ladder)trans-143.9161.3174.963.1-108.4000113.1R1003 I1004 R1005 C1097 R1100 D1104R1003-F1102 HydrophobicContact CG-CB 4.05Å; R1003-F1102 HydrophobicContact CG-CD2 3.97Å; R1003-F1102 HydrophobicContact CG-CG 4.03Å; R1003-F1102 VanDerWaalsContact CZ-CE2 3.46Å; R1003-F1102 VanDerWaalsContact CZ-CZ 3.46Å; I1004-F1102 CarbonylContact O-C 3.54Å; I1004-F1102 WeakPolarHBondContact O-CA 3.36Å; I1004-F1102 VanDerWaalsContact O-CB 3.26Å; I1004-F1102 WeakPolarHBondContact O-CB 3.3Å; R1005-F1102 HydrophobicContact CG-CB 4.41Å; C1097-F1102 HydrophobicContact CB-CD1 4.47Å; C1097-F1102 HydrophobicContact CB-CD2 3.82Å; C1097-F1102 HydrophobicContact CB-CE1 4.24Å; C1097-F1102 HydrophobicContact CB-CE2 3.47Å; C1097-F1102 VanDerWaalsContact CB-CE2 3.47Å; C1097-F1102 HydrophobicContact CB-CG 4.29Å; C1097-F1102 HydrophobicContact CB-CZ 3.72Å; C1097-F1102 PolarHBondContact N-O 3.36Å; C1097-F1102 PolarHBondContact O-N 3.3Å; R1100-F1102 HydrophobicContact CB-CD1 3.55Å; R1100-F1102 HydrophobicContact CB-CE1 3.21Å; R1100-F1102 HydrophobicContact CB-CZ 4.07Å; R1100-F1102 VanDerWaalsContact CD-CE1 3.48Å; R1100-F1102 HydrophobicContact CG-CE1 3.97Å; F1102-D1104 WeakPolarHBondContact CE2-OD2 3.35Å
1103V94.2Very high87.6Confident0 Ų029.3 Ų29.30%015%0.146CC..EExtended strand (participates in β ladder)trans-116.3133.3172.1-171.60000109.4L961 R1003 I1004 L1006 L1070 V1073 V1095 H1096 L1105L961-V1103 HydrophobicContact CD1-CG1 3.75Å; L961-V1103 HydrophobicContact CD1-CG2 4.34Å; R1003-V1103 CarbonylContact C-O 3.59Å; R1003-V1103 WeakPolarHBondContact CA-O 3.14Å; I1004-V1103 PolarHBondContact N-O 2.87Å; I1004-V1103 PolarHBondContact O-N 3.18Å; L1006-V1103 HydrophobicContact CD1-CG2 3.84Å; L1006-V1103 HydrophobicContact CD2-CG2 4.17Å; L1006-V1103 HydrophobicContact CG-CG2 4.14Å; L1070-V1103 HydrophobicContact CD1-CG2 3.88Å; V1073-V1103 HydrophobicContact CG1-CB 4.24Å; V1073-V1103 HydrophobicContact CG1-CG1 3.85Å; V1073-V1103 HydrophobicContact CG1-CG2 4.4Å; V1095-V1103 CarbonylContact O-C 3.59Å; V1095-V1103 WeakPolarHBondContact O-CA 3.37Å; V1095-V1103 WeakPolarHBondContact O-CG1 3.12Å; H1096-V1103 HydrophobicContact CB-CG2 4.44Å; V1103-L1105 HydrophobicContact CB-CD1 4.48Å; V1103-L1105 HydrophobicContact CG1-CD1 3.82Å
1104D95.2Very high87Confident4 Ų429.5 Ų29.52%0.02115%0.147CC..EExtended strand (participates in β ladder)trans-105.6125.9173.9-76.5-25.5000110.8V1001 R1003 A1094 V1095 F1102 F1106V1001-D1104 HydrophobicContact CG1-CB 3.83Å; R1003-D1104 WeakPolarHBondContact CA-OD1 2.89Å; R1003-D1104 WeakPolarHBondContact CB-OD1 3.27Å; R1003-D1104 VanDerWaalsContact CG-OD1 3.23Å; R1003-D1104 WeakPolarHBondContact CG-OD1 3.23Å; R1003-D1104 IonicContact CZ-OD1 2.76Å; R1003-D1104 IonicContact CZ-OD2 3.58Å; R1003-D1104 IonicContact NE-OD1 3.9Å; R1003-D1104 PolarHBondContact NE-OD1 3.49Å; R1003-D1104 IonicContact NE-OD2 2.65Å; R1003-D1104 PolarHBondContact NE-OD2 3.24Å; R1003-D1104 IonicContact NH2-OD1 2.6Å; R1003-D1104 IonicContact NH2-OD2 2.78Å; R1003-D1104 PolarHBondContact NH2-OD2 3.19Å; A1094-D1104 CarbonylContact C-O 3.51Å; A1094-D1104 WeakPolarHBondContact CA-O 2.86Å; V1095-D1104 HydrophobicContact CG2-CB 4.07Å; V1095-D1104 PolarHBondContact N-O 3.37Å; V1095-D1104 PolarHBondContact O-N 2.79Å; F1102-D1104 WeakPolarHBondContact CE2-OD2 3.35Å; D1104-F1106 HydrophobicContact CB-CE2 4.08Å; D1104-F1106 HydrophobicContact CB-CZ 4.15Å
1105L94.8Very high86.4Confident1 Ų130.7 Ų30.71%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-105116.2173.6-78.365.3000108.8V1001 K1002 I1004 V1073 V1077 L1091 A1094 V1103 I1107V1001-L1105 CarbonylContact C-O 3.47Å; V1001-L1105 WeakPolarHBondContact CA-O 3.43Å; K1002-L1105 HydrophobicContact CB-CB 4.19Å; K1002-L1105 HydrophobicContact CD-CD2 4.45Å; K1002-L1105 PolarHBondContact N-O 3.34Å; K1002-L1105 PolarHBondContact O-N 3.28Å; I1004-L1105 HydrophobicContact CD1-CD1 3.88Å; I1004-L1105 HydrophobicContact CD1-CD2 4.46Å; V1073-L1105 HydrophobicContact CG1-CD1 4Å; V1077-L1105 HydrophobicContact CG2-CD2 4.47Å; V1077-L1105 HydrophobicContact CG2-CG 4.29Å; L1091-L1105 HydrophobicContact CD1-CB 4.03Å; L1091-L1105 HydrophobicContact CD1-CG 4.34Å; A1094-L1105 HydrophobicContact CB-CD1 4.42Å; A1094-L1105 HydrophobicContact CB-CG 4.23Å; V1103-L1105 HydrophobicContact CB-CD1 4.48Å; V1103-L1105 HydrophobicContact CG1-CD1 3.82Å; L1105-I1107 HydrophobicContact CB-CG2 4.49Å; L1105-I1107 PolarHBondContact O-N 3.04Å
1106F94.6Very high85.8Confident0 Ų031.3 Ų31.30%016%0.157CC..EExtended strand (participates in β ladder)trans-89102.6178.7-60.7-90.4000109.5L948 Y967 W973 L999 V1001 L1091 F1092 G1093 V1095 D1104L948-F1106 HydrophobicContact CD1-CB 3.57Å; L948-F1106 HydrophobicContact CD1-CD1 4.14Å; L948-F1106 HydrophobicContact CD1-CD2 4.15Å; L948-F1106 HydrophobicContact CD1-CG 3.69Å; L948-F1106 HydrophobicContact CD2-CB 4.42Å; L948-F1106 HydrophobicContact CD2-CD2 3.48Å; L948-F1106 VanDerWaalsContact CD2-CD2 3.48Å; L948-F1106 HydrophobicContact CD2-CE2 3.8Å; L948-F1106 HydrophobicContact CD2-CG 3.9Å; L948-F1106 HydrophobicContact CD2-CZ 4.5Å; L948-F1106 HydrophobicContact CG-CD2 4.48Å; L948-F1106 HydrophobicContact CG-CG 4.45Å; Y967-F1106 AromaticContact CD1-CE1 3.89Å; Y967-F1106 HydrophobicContact CD1-CE1 3.89Å; Y967-F1106 AromaticContact CD1-CE2 3.94Å; Y967-F1106 HydrophobicContact CD1-CE2 3.94Å; Y967-F1106 AromaticContact CD1-CZ 3.55Å; Y967-F1106 HydrophobicContact CD1-CZ 3.55Å; Y967-F1106 AromaticContact CE1-CD1 3.98Å; Y967-F1106 HydrophobicContact CE1-CD1 3.98Å; Y967-F1106 AromaticContact CE1-CE1 3.56Å; Y967-F1106 HydrophobicContact CE1-CE1 3.56Å; Y967-F1106 HydrophobicContact CE1-CE2 4.3Å; Y967-F1106 AromaticContact CE1-CZ 3.75Å; Y967-F1106 HydrophobicContact CE1-CZ 3.75Å; W973-F1106 AromaticContact CD1-CE1 3.81Å; W973-F1106 AromaticContact CD2-CE1 3.73Å; W973-F1106 HydrophobicContact CD2-CE1 3.73Å; W973-F1106 HydrophobicContact CD2-CZ 4.36Å; W973-F1106 AromaticContact CE2-CE1 3.59Å; W973-F1106 AromaticContact CE2-CZ 3.76Å; W973-F1106 HydrophobicContact CE3-CE1 4.39Å; W973-F1106 AromaticContact CG-CE1 3.84Å; W973-F1106 HydrophobicContact CG-CE1 3.84Å; W973-F1106 HydrophobicContact CG-CZ 4.46Å; W973-F1106 HydrophobicContact CZ2-CE1 4.1Å; W973-F1106 HydrophobicContact CZ2-CZ 4.14Å; W973-F1106 AromaticContact NE1-CE1 3.65Å; W973-F1106 AromaticContact NE1-CZ 3.54Å; L999-F1106 HydrophobicContact CD1-CD1 4.31Å; V1001-F1106 HydrophobicContact CG1-CE1 4.48Å; V1001-F1106 HydrophobicContact CG2-CD1 3.44Å; V1001-F1106 VanDerWaalsContact CG2-CD1 3.44Å; V1001-F1106 HydrophobicContact CG2-CE1 3.59Å; V1001-F1106 HydrophobicContact CG2-CG 4.34Å; L1091-F1106 WeakPolarHBondContact CD1-O 3.48Å; F1092-F1106 HydrophobicContact CB-CB 4.35Å; F1092-F1106 WeakPolarHBondContact CB-O 3.27Å; F1092-F1106 PolarHBondContact N-O 3.24Å; G1093-F1106 PolarHBondContact N-O 2.83Å; G1093-F1106 PolarHBondContact O-N 2.9Å; V1095-F1106 HydrophobicContact CB-CE2 4.48Å; V1095-F1106 HydrophobicContact CG1-CE2 4.14Å; V1095-F1106 HydrophobicContact CG2-CE2 3.77Å; V1095-F1106 HydrophobicContact CG2-CZ 4.2Å; D1104-F1106 HydrophobicContact CB-CE2 4.08Å; D1104-F1106 HydrophobicContact CB-CZ 4.15Å
1107I92.5Very high85Confident15 Ų1531.2 Ų31.28%0.07716%0.158CC..EExtended strand (participates in β ladder)trans-113.9162.4-17555.5169.3000111.1A1000 K1002 M1080 R1090 L1091 L1105 W1109A1000-I1107 HydrophobicContact CB-CD1 4.23Å; A1000-I1107 HydrophobicContact CB-CG1 3.85Å; A1000-I1107 PolarHBondContact N-O 2.81Å; A1000-I1107 WeakPolarHBondContact O-CG1 3.31Å; A1000-I1107 PolarHBondContact O-N 3.06Å; A1000-I1107 VanDerWaalsContact O-O 3.13Å; K1002-I1107 HydrophobicContact CB-CD1 4.48Å; M1080-I1107 HydrophobicContact CE-CG2 4.24Å; R1090-I1107 WeakPolarHBondContact O-CA 3.49Å; L1091-I1107 HydrophobicContact CD1-CG2 3.57Å; L1105-I1107 HydrophobicContact CB-CG2 4.49Å; L1105-I1107 PolarHBondContact O-N 3.04Å; I1107-W1109 PolarHBondContact O-N 3.43Å
1108E89.1Confident84.7Confident14 Ų1432 Ų327%0.06516%0.162CC..EExtended strand (participates in β ladder)trans-54.6130.9172.1175.5172.8-159.300112.5R855 L942 L1089 R1090 F1092 M1110R855-E1108 IonicContact CZ-OE1 2.7Å; R855-E1108 IonicContact CZ-OE2 3.53Å; R855-E1108 IonicContact NE-OE1 3.78Å; R855-E1108 IonicContact NH1-OE1 3.54Å; R855-E1108 PolarHBondContact NH1-OE1 3.33Å; R855-E1108 IonicContact NH1-OE2 3.39Å; R855-E1108 IonicContact NH2-OE1 3.77Å; R855-E1108 PolarHBondContact NH2-OE1 3.16Å; R855-E1108 IonicContact NH2-OE2 3.54Å; R855-E1108 PolarHBondContact NH2-OE2 3.45Å; L942-E1108 HydrophobicContact CD1-CB 4.35Å; L942-E1108 VanDerWaalsContact CD1-CD 3.48Å; L942-E1108 HydrophobicContact CD1-CG 3.9Å; L942-E1108 WeakPolarHBondContact CD1-OE1 3.2Å; L1089-E1108 HydrophobicContact CD2-CB 4.08Å; L1089-E1108 HydrophobicContact CD2-CG 4.38Å; R1090-E1108 HydrophobicContact CB-CB 4.37Å; R1090-E1108 PolarHBondContact O-N 2.83Å; F1092-E1108 HydrophobicContact CE2-CB 4.26Å; E1108-M1110 HydrophobicContact CG-SD 4.3Å
1109W86.1Confident84.7Confident79 Ų7931.1 Ų31.130%0.29916%0.155SC..  trans-77.6127.8173.8179.858.6000111.3L998 I1107 P1111L998-W1109 HydrophobicContact CB-CD2 4.21Å; L998-W1109 HydrophobicContact CB-CE3 3.8Å; L998-W1109 HydrophobicContact CB-CZ3 4.31Å; L998-W1109 HydrophobicContact CD1-CE3 3.88Å; L998-W1109 HydrophobicContact CD1-CH2 3.87Å; L998-W1109 HydrophobicContact CD1-CZ3 3.52Å; I1107-W1109 PolarHBondContact O-N 3.43Å; W1109-P1111 HydrophobicContact CD2-CB 4.45Å; W1109-P1111 HydrophobicContact CE3-CB 4.33Å; W1109-P1111 HydrophobicContact CE3-CG 4.36Å; W1109-P1111 HydrophobicContact CH2-CB 3.64Å; W1109-P1111 HydrophobicContact CH2-CG 4.38Å; W1109-P1111 HydrophobicContact CZ2-CB 3.72Å; W1109-P1111 HydrophobicContact CZ3-CB 3.94Å; W1109-P1111 HydrophobicContact CZ3-CG 4.18Å; W1109-P1111 WeakPolarHBondContact O-CD 3.36Å
1110M85.4Confident84.7Confident15 Ų1529.7 Ų29.77%0.07415%0.151CC..  trans-112.694.5179.3-65.7-68-77.100110.1R855 I856 A857 L1089 E1108 G1112 G1113R855-M1110 HydrophobicContact CB-CE 3.67Å; R855-M1110 HydrophobicContact CB-SD 4.19Å; I856-M1110 VanDerWaalsContact N-CE 3.33Å; A857-M1110 HydrophobicContact CB-CB 3.92Å; A857-M1110 HydrophobicContact CB-CG 4.03Å; L1089-M1110 HydrophobicContact CD2-CG 3.3Å; L1089-M1110 HydrophobicContact CD2-SD 3.84Å; L1089-M1110 HydrophobicContact CG-CG 4.44Å; E1108-M1110 HydrophobicContact CG-SD 4.3Å; M1110-G1112 PolarHBondContact O-N 2.81Å; M1110-G1113 PolarHBondContact O-N 2.93Å
1111P74.3Confident84.6Confident56 Ų5627.7 Ų27.736%0.36415%0.148SC..THydrogen-bonded Turntrans-66.5-21.7-176.324.6-33.8000113.5W1109 G1113W1109-P1111 HydrophobicContact CD2-CB 4.45Å; W1109-P1111 HydrophobicContact CE3-CB 4.33Å; W1109-P1111 HydrophobicContact CE3-CG 4.36Å; W1109-P1111 HydrophobicContact CH2-CB 3.64Å; W1109-P1111 HydrophobicContact CH2-CG 4.38Å; W1109-P1111 HydrophobicContact CZ2-CB 3.72Å; W1109-P1111 HydrophobicContact CZ3-CB 3.94Å; W1109-P1111 HydrophobicContact CZ3-CG 4.18Å; W1109-P1111 WeakPolarHBondContact O-CD 3.36Å; P1111-G1113 PolarHBondContact O-N 2.93Å; P1111-G1113 VanDerWaalsContact O-N 3.16Å
1112G74.4Confident84.4Confident22 Ų2230.9 Ų30.923%0.22716%0.155CC..THydrogen-bonded Turntrans-72.1-0.1-178.300000114.6M1110M1110-G1112 PolarHBondContact O-N 2.81Å
1113G77.3Confident84.1Confident3 Ų331.9 Ų31.93%0.03117%0.169CC..  trans65.5-154-173.500000111.4A857 A861 M1110 P1111A857-G1113 PolarHBondContact N-O 2.86Å; A861-G1113 WeakPolarHBondContact CB-O 3.25Å; M1110-G1113 PolarHBondContact O-N 2.93Å; P1111-G1113 PolarHBondContact O-N 2.93Å; P1111-G1113 VanDerWaalsContact O-N 3.16Å
1114S79.1Confident83.7Confident5 Ų536.5 Ų36.54%0.03521%0.207CC..BIsolated β-bridgetrans-111.2159.6-174.455.40000108A857 A861 T1116 S1117 L1118A857-S1114 WeakPolarHBondContact O-CA 3.4Å; A861-S1114 VanDerWaalsContact CB-CA 3.41Å; S1114-T1116 PolarHBondContact O-N 3.27Å; S1114-S1117 PolarHBondContact N-OG 3.05Å; S1114-S1117 PolarHBondContact O-N 2.83Å; S1114-S1117 PolarHBondContact O-OG 3.11Å; S1114-S1117 PolarHBondContact OG-N 2.71Å; S1114-S1117 PolarHBondContact OG-OG 3.24Å; S1114-L1118 WeakPolarHBondContact O-CB 3.24Å; S1114-L1118 WeakPolarHBondContact O-CG 3.33Å; S1114-L1118 PolarHBondContact O-N 2.74Å
1115I81.8Confident83.2Confident25 Ų2538.3 Ų38.313%0.12822%0.215CC..Hα-helixtrans-56.2-38.9169.9-66.6-169.6000110.2I856 A857 L858 L1118 L1119 F1125 Y1133I856-I1115 HydrophobicContact CG2-CG1 3.61Å; A857-I1115 PolarHBondContact O-N 3.47Å; L858-I1115 HydrophobicContact CD2-CD1 3.47Å; L858-I1115 VanDerWaalsContact CD2-CD1 3.47Å; L858-I1115 HydrophobicContact CD2-CG1 4.18Å; L858-I1115 HydrophobicContact CG-CD1 4.47Å; I1115-L1118 PolarHBondContact O-N 3.33Å; I1115-L1119 HydrophobicContact CG2-CD1 3.66Å; I1115-L1119 HydrophobicContact CG2-CG 4.1Å; I1115-L1119 WeakPolarHBondContact O-CB 3.17Å; I1115-L1119 VanDerWaalsContact O-CG 3.25Å; I1115-L1119 WeakPolarHBondContact O-CG 3.35Å; I1115-L1119 PolarHBondContact O-N 3.39Å; I1115-F1125 HydrophobicContact CG2-CE2 4.11Å; I1115-Y1133 HydrophobicContact CD1-CD2 4.48Å; I1115-Y1133 HydrophobicContact CD1-CG 4.27Å
1116T80.3Confident82.9Confident15 Ų1542.2 Ų42.29%0.09224%0.236CC..Hα-helixtrans-57.9-52175.1-59.70000112.7E859 S1114 L1118 L1119 Q1120 N1157E859-T1116 PolarHBondContact OE1-OG1 2.81Å; S1114-T1116 PolarHBondContact O-N 3.27Å; T1116-L1118 VanDerWaalsContact C-N 3.28Å; T1116-L1118 PolarHBondContact O-N 3.01Å; T1116-L1119 PolarHBondContact O-N 2.7Å; T1116-Q1120 WeakPolarHBondContact O-CG 3.3Å; T1116-Q1120 PolarHBondContact O-N 2.65Å; T1116-N1157 WeakPolarHBondContact CG2-O 3.41Å; T1116-N1157 PolarHBondContact OG1-N 3.12Å; T1116-N1157 PolarHBondContact OG1-O 3.41Å
1117S76.3Confident82.6Confident12 Ų1249.7 Ų49.78%0.08427%0.271CS..Hα-helixtrans-63.3-37.2-18062.30000111.7S1114 Q1120 Q1121S1114-S1117 PolarHBondContact N-OG 3.05Å; S1114-S1117 PolarHBondContact O-N 2.83Å; S1114-S1117 PolarHBondContact O-OG 3.11Å; S1114-S1117 PolarHBondContact OG-N 2.71Å; S1114-S1117 PolarHBondContact OG-OG 3.24Å; S1117-Q1120 PolarHBondContact O-N 2.76Å; S1117-Q1121 WeakPolarHBondContact O-CB 3.32Å; S1117-Q1121 PolarHBondContact O-N 2.6Å
1118L81.8Confident82.3Confident23 Ų2353 Ų5312%0.1230%0.295CS..Hα-helixtrans-69-38.5176.1-69172.6000112.5I856 S1114 I1115 T1116 Q1121 Y1122 F1125I856-L1118 HydrophobicContact CD1-CD1 3.21Å; I856-L1118 HydrophobicContact CG1-CD1 3.66Å; I856-L1118 HydrophobicContact CG2-CD1 4.05Å; S1114-L1118 WeakPolarHBondContact O-CB 3.24Å; S1114-L1118 WeakPolarHBondContact O-CG 3.33Å; S1114-L1118 PolarHBondContact O-N 2.74Å; I1115-L1118 PolarHBondContact O-N 3.33Å; T1116-L1118 VanDerWaalsContact C-N 3.28Å; T1116-L1118 PolarHBondContact O-N 3.01Å; L1118-Q1121 PolarHBondContact O-N 2.72Å; L1118-Y1122 HydrophobicContact CD2-CD2 4.32Å; L1118-Y1122 HydrophobicContact CD2-CE2 4.04Å; L1118-Y1122 WeakPolarHBondContact O-CD2 3.16Å; L1118-Y1122 PolarHBondContact O-N 3.26Å; L1118-F1125 HydrophobicContact CB-CE1 4.2Å; L1118-F1125 HydrophobicContact CB-CZ 3.69Å
1119L83.4Confident82.1Confident34 Ų3453.8 Ų53.818%0.17830%0.3CS..Hα-helixtrans-67.6-37175-74.9170.8000111.7I1115 T1116 G1123 F1125 V1158I1115-L1119 HydrophobicContact CG2-CD1 3.66Å; I1115-L1119 HydrophobicContact CG2-CG 4.1Å; I1115-L1119 WeakPolarHBondContact O-CB 3.17Å; I1115-L1119 VanDerWaalsContact O-CG 3.25Å; I1115-L1119 WeakPolarHBondContact O-CG 3.35Å; I1115-L1119 PolarHBondContact O-N 3.39Å; T1116-L1119 PolarHBondContact O-N 2.7Å; L1119-G1123 WeakPolarHBondContact CD2-O 3.17Å; L1119-G1123 WeakPolarHBondContact O-CA 3.35Å; L1119-G1123 PolarHBondContact O-N 2.78Å; L1119-F1125 HydrophobicContact CD2-CD1 3.97Å; L1119-F1125 HydrophobicContact CD2-CD2 3.9Å; L1119-F1125 HydrophobicContact CD2-CE1 3.78Å; L1119-F1125 HydrophobicContact CD2-CE2 3.73Å; L1119-F1125 HydrophobicContact CD2-CG 4.02Å; L1119-F1125 HydrophobicContact CD2-CZ 3.64Å; L1119-F1125 HydrophobicContact CG-CE1 4.24Å; L1119-F1125 HydrophobicContact CG-CE2 3.95Å; L1119-F1125 HydrophobicContact CG-CZ 3.73Å; L1119-V1158 HydrophobicContact CB-CG2 4.22Å; L1119-V1158 HydrophobicContact CD1-CG2 3.56Å; L1119-V1158 HydrophobicContact CG-CG2 4.46Å
1120Q80.3Confident82.1Confident123 Ų12353.5 Ų53.558%0.57531%0.307SS*.Hα-helixtrans-65.4-40.6173.7-74.2175.5-2.900111.7T1116 S1117T1116-Q1120 WeakPolarHBondContact O-CG 3.3Å; T1116-Q1120 PolarHBondContact O-N 2.65Å; S1117-Q1120 PolarHBondContact O-N 2.76Å
1121Q80.6Confident82.2Confident103 Ų10357.5 Ų57.548%0.48133%0.328SS..Hα-helixtrans-74-38.3-177.5-172.2176.910.400113.2S1117 L1118S1117-Q1121 WeakPolarHBondContact O-CB 3.32Å; S1117-Q1121 PolarHBondContact O-N 2.6Å; L1118-Q1121 PolarHBondContact O-N 2.72Å
1122Y80.5Confident82.8Confident85 Ų8557.6 Ų57.633%0.33333%0.325SS..Hα-helixtrans-118.5-6.4-170.2-61.2-71.5000114.8Q924 V927 L1118Q924-Y1122 HydrophobicContact CG-CD1 4.47Å; V927-Y1122 WeakPolarHBondContact CG1-OH 3.38Å; L1118-Y1122 HydrophobicContact CD2-CD2 4.32Å; L1118-Y1122 HydrophobicContact CD2-CE2 4.04Å; L1118-Y1122 WeakPolarHBondContact O-CD2 3.16Å; L1118-Y1122 PolarHBondContact O-N 3.26Å
1123G84.2Confident83.3Confident35 Ų3557.9 Ų57.936%0.36132%0.32SS..  trans74.5-160.7-172.700000113L1119 F1125L1119-G1123 WeakPolarHBondContact CD2-O 3.17Å; L1119-G1123 WeakPolarHBondContact O-CA 3.35Å; L1119-G1123 PolarHBondContact O-N 2.78Å; G1123-F1125 PolarHBondContact O-N 3.45Å
1124A86.9Confident83.8Confident97 Ų9759 Ų5980%0.80233%0.332SS*.SBendtrans-64.7127.7-175.800000111.9
1125F83.9Confident84.3Confident43 Ų4362.8 Ų62.819%0.18935%0.35CS..PPolyproline II helixtrans-68.1149.3175.4-55.5-29.3000111.7I1115 L1118 L1119 G1123 I1129 Y1133I1115-F1125 HydrophobicContact CG2-CE2 4.11Å; L1118-F1125 HydrophobicContact CB-CE1 4.2Å; L1118-F1125 HydrophobicContact CB-CZ 3.69Å; L1119-F1125 HydrophobicContact CD2-CD1 3.97Å; L1119-F1125 HydrophobicContact CD2-CD2 3.9Å; L1119-F1125 HydrophobicContact CD2-CE1 3.78Å; L1119-F1125 HydrophobicContact CD2-CE2 3.73Å; L1119-F1125 HydrophobicContact CD2-CG 4.02Å; L1119-F1125 HydrophobicContact CD2-CZ 3.64Å; L1119-F1125 HydrophobicContact CG-CE1 4.24Å; L1119-F1125 HydrophobicContact CG-CE2 3.95Å; L1119-F1125 HydrophobicContact CG-CZ 3.73Å; G1123-F1125 PolarHBondContact O-N 3.45Å; F1125-I1129 HydrophobicContact CB-CB 4.1Å; F1125-I1129 HydrophobicContact CB-CG2 3.88Å; F1125-I1129 HydrophobicContact CD1-CG2 4.43Å; F1125-I1129 HydrophobicContact CD2-CG2 3.96Å; F1125-I1129 HydrophobicContact CG-CG2 3.84Å; F1125-Y1133 AromaticContact CD2-CD2 3.93Å; F1125-Y1133 HydrophobicContact CD2-CD2 3.93Å; F1125-Y1133 AromaticContact CD2-CE2 3.9Å; F1125-Y1133 HydrophobicContact CD2-CE2 3.9Å; F1125-Y1133 AromaticContact CE2-CD2 3.83Å; F1125-Y1133 HydrophobicContact CE2-CD2 3.83Å; F1125-Y1133 AromaticContact CE2-CE2 3.59Å; F1125-Y1133 HydrophobicContact CE2-CE2 3.59Å; F1125-Y1133 HydrophobicContact CZ-CE2 4.24Å
1126N88.3Confident84.6Confident83 Ų8362.3 Ų62.344%0.44435%0.348SS..PPolyproline II helixtrans-67.4166168.169.329.2000111.2S1128 I1129 T1130N1126-S1128 VanDerWaalsContact C-N 3.28Å; N1126-S1128 PolarHBondContact O-N 2.83Å; N1126-S1128 PolarHBondContact OD1-N 2.98Å; N1126-I1129 PolarHBondContact O-N 2.75Å; N1126-I1129 WeakPolarHBondContact OD1-CB 3.39Å; N1126-I1129 VanDerWaalsContact OD1-CG1 3.28Å; N1126-I1129 WeakPolarHBondContact OD1-CG1 3.42Å; N1126-I1129 PolarHBondContact OD1-N 3.37Å; N1126-T1130 WeakPolarHBondContact O-CB 3.28Å; N1126-T1130 PolarHBondContact O-N 2.81Å; N1126-T1130 PolarHBondContact O-OG1 2.81Å
1127E88.5Confident85Confident156 Ų15664 Ų6473%0.72936%0.356SS*.Hα-helixtrans-59.1-38.9-176.6-175.2173.1-175.100112.5T1130 L1131E1127-T1130 PolarHBondContact O-N 3.25Å; E1127-L1131 HydrophobicContact CG-CD1 4Å; E1127-L1131 HydrophobicContact CG-CG 4.35Å; E1127-L1131 WeakPolarHBondContact O-CB 3.42Å; E1127-L1131 VanDerWaalsContact O-CG 3.27Å; E1127-L1131 WeakPolarHBondContact O-CG 3.32Å; E1127-L1131 PolarHBondContact O-N 3.36Å
1128S85.6Confident85.8Confident85 Ų8568.8 Ų68.859%0.59438%0.38SS*.Hα-helixtrans-62-48.5-179.8-175.40000112.5N1126 L1131 N1132N1126-S1128 VanDerWaalsContact C-N 3.28Å; N1126-S1128 PolarHBondContact O-N 2.83Å; N1126-S1128 PolarHBondContact OD1-N 2.98Å; S1128-L1131 PolarHBondContact O-N 3.46Å; S1128-N1132 PolarHBondContact O-N 2.93Å
1129I84.4Confident86.3Confident30 Ų3073.5 Ų73.515%0.15440%0.396CS..Hα-helixtrans-65.2-43.5177.3-66.8166.8000110.2L928 F1125 N1126 L1131 N1132 Y1133L928-I1129 HydrophobicContact CD1-CD1 4.1Å; L928-I1129 HydrophobicContact CD2-CD1 4.2Å; L928-I1129 HydrophobicContact CD2-CG1 4.27Å; F1125-I1129 HydrophobicContact CB-CB 4.1Å; F1125-I1129 HydrophobicContact CB-CG2 3.88Å; F1125-I1129 HydrophobicContact CD1-CG2 4.43Å; F1125-I1129 HydrophobicContact CD2-CG2 3.96Å; F1125-I1129 HydrophobicContact CG-CG2 3.84Å; N1126-I1129 PolarHBondContact O-N 2.75Å; N1126-I1129 WeakPolarHBondContact OD1-CB 3.39Å; N1126-I1129 VanDerWaalsContact OD1-CG1 3.28Å; N1126-I1129 WeakPolarHBondContact OD1-CG1 3.42Å; N1126-I1129 PolarHBondContact OD1-N 3.37Å; I1129-L1131 VanDerWaalsContact C-N 3.32Å; I1129-L1131 PolarHBondContact O-N 3.11Å; I1129-N1132 PolarHBondContact O-N 3.35Å; I1129-N1132 VanDerWaalsContact O-N 3.14Å; I1129-Y1133 HydrophobicContact CG2-CD2 3.86Å; I1129-Y1133 HydrophobicContact CG2-CE2 3.4Å; I1129-Y1133 PolarHBondContact O-N 3.35Å
1130T87.3Confident86.6Confident74 Ų7472 Ų7245%0.45439%0.389SS..Hα-helixtrans-57.5-45.2177.2-57.30000111.4N1126 E1127 Y1133 G1134N1126-T1130 WeakPolarHBondContact O-CB 3.28Å; N1126-T1130 PolarHBondContact O-N 2.81Å; N1126-T1130 PolarHBondContact O-OG1 2.81Å; E1127-T1130 PolarHBondContact O-N 3.25Å; T1130-Y1133 PolarHBondContact O-N 3.43Å; T1130-G1134 PolarHBondContact O-N 2.51Å
1131L87.5Confident87.2Confident99 Ų9968 Ų6852%0.51837%0.371SS..Hα-helixtrans-63.9-40.3176.4-75.3171.3000111.9E1127 S1128 I1129 G1134 I1135E1127-L1131 HydrophobicContact CG-CD1 4Å; E1127-L1131 HydrophobicContact CG-CG 4.35Å; E1127-L1131 WeakPolarHBondContact O-CB 3.42Å; E1127-L1131 VanDerWaalsContact O-CG 3.27Å; E1127-L1131 WeakPolarHBondContact O-CG 3.32Å; E1127-L1131 PolarHBondContact O-N 3.36Å; S1128-L1131 PolarHBondContact O-N 3.46Å; I1129-L1131 VanDerWaalsContact C-N 3.32Å; I1129-L1131 PolarHBondContact O-N 3.11Å; L1131-G1134 PolarHBondContact O-N 3.25Å; L1131-I1135 VanDerWaalsContact O-CG1 3.27Å; L1131-I1135 WeakPolarHBondContact O-CG1 3.28Å; L1131-I1135 PolarHBondContact O-N 3.2Å
1132N85.9Confident87.8Confident57 Ų5765.9 Ų65.931%0.30537%0.371SS..Hα-helixtrans-62-48.1178-168-3.8000111.5S852 S1128 I1129 G1134 I1135 Q1136S852-N1132 PolarHBondContact O-ND2 2.57Å; S1128-N1132 PolarHBondContact O-N 2.93Å; I1129-N1132 PolarHBondContact O-N 3.35Å; I1129-N1132 VanDerWaalsContact O-N 3.14Å; N1132-G1134 PolarHBondContact O-N 3.01Å; N1132-I1135 PolarHBondContact O-N 3.01Å; N1132-Q1136 WeakPolarHBondContact O-CG 3.47Å; N1132-Q1136 PolarHBondContact O-N 3.44Å; N1132-Q1136 PolarHBondContact OD1-NE2 2.69Å
1133Y86Confident88.4Confident28 Ų2863.9 Ų63.911%0.1136%0.363CS..Hα-helixtrans-64.3-39.6173.4-66-41.6000112.6A854 I856 I1115 F1125 I1129 T1130 I1135 Q1136 L1137A854-Y1133 HydrophobicContact CB-CE1 4.35Å; I856-Y1133 HydrophobicContact CD1-CD1 4.29Å; I856-Y1133 HydrophobicContact CD1-CE1 3.22Å; I856-Y1133 HydrophobicContact CD1-CE2 4.29Å; I856-Y1133 WeakPolarHBondContact CD1-OH 3.34Å; I856-Y1133 HydrophobicContact CG1-CE1 4.41Å; I1115-Y1133 HydrophobicContact CD1-CD2 4.48Å; I1115-Y1133 HydrophobicContact CD1-CG 4.27Å; F1125-Y1133 AromaticContact CD2-CD2 3.93Å; F1125-Y1133 HydrophobicContact CD2-CD2 3.93Å; F1125-Y1133 AromaticContact CD2-CE2 3.9Å; F1125-Y1133 HydrophobicContact CD2-CE2 3.9Å; F1125-Y1133 AromaticContact CE2-CD2 3.83Å; F1125-Y1133 HydrophobicContact CE2-CD2 3.83Å; F1125-Y1133 AromaticContact CE2-CE2 3.59Å; F1125-Y1133 HydrophobicContact CE2-CE2 3.59Å; F1125-Y1133 HydrophobicContact CZ-CE2 4.24Å; I1129-Y1133 HydrophobicContact CG2-CD2 3.86Å; I1129-Y1133 HydrophobicContact CG2-CE2 3.4Å; I1129-Y1133 PolarHBondContact O-N 3.35Å; T1130-Y1133 PolarHBondContact O-N 3.43Å; Y1133-I1135 VanDerWaalsContact C-N 3.33Å; Y1133-I1135 PolarHBondContact O-N 2.86Å; Y1133-Q1136 PolarHBondContact O-N 3.45Å; Y1133-L1137 WeakPolarHBondContact O-CB 3.26Å; Y1133-L1137 PolarHBondContact O-N 3.16Å
1134G88.1Confident88.9Confident27 Ų2762.9 Ų62.928%0.27835%0.35SS..Hα-helixtrans-56.7-45.2175.600000112.5T1130 L1131 N1132 L1137 I1138T1130-G1134 PolarHBondContact O-N 2.51Å; L1131-G1134 PolarHBondContact O-N 3.25Å; N1132-G1134 PolarHBondContact O-N 3.01Å; G1134-L1137 PolarHBondContact O-N 2.85Å; G1134-I1138 WeakPolarHBondContact O-CB 3.43Å; G1134-I1138 WeakPolarHBondContact O-CD1 3.21Å; G1134-I1138 VanDerWaalsContact O-CG1 3.22Å; G1134-I1138 WeakPolarHBondContact O-CG1 3.31Å; G1134-I1138 PolarHBondContact O-N 3.38Å
1135I89.8Confident89.3Confident84 Ų8463.1 Ų63.143%0.43133%0.334SS..Hα-helixtrans-62.9-44.6177.4-70.9164.7000111L1131 N1132 Y1133 I1138 R1139L1131-I1135 VanDerWaalsContact O-CG1 3.27Å; L1131-I1135 WeakPolarHBondContact O-CG1 3.28Å; L1131-I1135 PolarHBondContact O-N 3.2Å; N1132-I1135 PolarHBondContact O-N 3.01Å; Y1133-I1135 VanDerWaalsContact C-N 3.33Å; Y1133-I1135 PolarHBondContact O-N 2.86Å; I1135-I1138 PolarHBondContact O-N 3.4Å; I1135-R1139 VanDerWaalsContact O-CG 3.3Å; I1135-R1139 WeakPolarHBondContact O-CG 3.18Å; I1135-R1139 PolarHBondContact O-N 3.44Å
1136Q87.1Confident89.7Confident16 Ų1669.6 Ų69.68%0.07536%0.362CS..Hα-helixtrans-63.2-44.3178.5-70.4-171.368.100112.1A854 N1087 N1132 Y1133 R1139 G1140A854-Q1136 PolarHBondContact O-NE2 3.28Å; A854-Q1136 VanDerWaalsContact O-NE2 3.16Å; A854-Q1136 PolarHBondContact O-OE1 3.36Å; N1087-Q1136 WeakPolarHBondContact CB-O 3.46Å; N1087-Q1136 WeakPolarHBondContact ND2-CB 3.47Å; N1087-Q1136 PolarHBondContact ND2-OE1 3.43Å; N1132-Q1136 WeakPolarHBondContact O-CG 3.47Å; N1132-Q1136 PolarHBondContact O-N 3.44Å; N1132-Q1136 PolarHBondContact OD1-NE2 2.69Å; Y1133-Q1136 PolarHBondContact O-N 3.45Å; Q1136-R1139 PolarHBondContact O-N 3.23Å; Q1136-G1140 PolarHBondContact O-N 2.84Å
1137L89.6Confident89.9Confident51 Ų5169.8 Ų69.827%0.26736%0.36SS..Hα-helixtrans-62-47.3177.7-168.2166.1000110.7L858 Y1133 G1134 R1139 G1140 L1141 L1154L858-L1137 HydrophobicContact CD1-CB 4.33Å; L858-L1137 HydrophobicContact CD1-CD1 4Å; L858-L1137 HydrophobicContact CD1-CG 3.77Å; L858-L1137 HydrophobicContact CD2-CD1 3.8Å; L858-L1137 HydrophobicContact CD2-CG 4.49Å; Y1133-L1137 WeakPolarHBondContact O-CB 3.26Å; Y1133-L1137 PolarHBondContact O-N 3.16Å; G1134-L1137 PolarHBondContact O-N 2.85Å; L1137-R1139 VanDerWaalsContact C-N 3.32Å; L1137-R1139 PolarHBondContact O-N 3.38Å; L1137-G1140 PolarHBondContact O-N 3.47Å; L1137-L1141 HydrophobicContact CD2-CD1 3.44Å; L1137-L1141 VanDerWaalsContact CD2-CD1 3.44Å; L1137-L1141 HydrophobicContact CD2-CG 3.94Å; L1137-L1141 WeakPolarHBondContact O-CB 3.45Å; L1137-L1141 PolarHBondContact O-N 3.43Å; L1137-L1154 HydrophobicContact CD2-CD1 4.11Å
1138I92.3Very high89.9Confident112 Ų11265.5 Ų65.557%0.57436%0.358SS*.Hα-helixtrans-62.5-38.5178-68.9166.9000111.4G1134 I1135 L1141 A1142G1134-I1138 WeakPolarHBondContact O-CB 3.43Å; G1134-I1138 WeakPolarHBondContact O-CD1 3.21Å; G1134-I1138 VanDerWaalsContact O-CG1 3.22Å; G1134-I1138 WeakPolarHBondContact O-CG1 3.31Å; G1134-I1138 PolarHBondContact O-N 3.38Å; I1135-I1138 PolarHBondContact O-N 3.4Å; I1138-L1141 PolarHBondContact O-N 2.89Å; I1138-A1142 VanDerWaalsContact O-CB 3.29Å; I1138-A1142 WeakPolarHBondContact O-CB 3.1Å; I1138-A1142 PolarHBondContact O-N 3.09Å
1139R91.8Very high90.1Very high121 Ų12163.2 Ų63.246%0.45734%0.339SS..Hα-helixtrans-61.7-45.8174.6-75.9173.3176.3166.71.4112I1135 Q1136 L1137 A1142 Y1143I1135-R1139 VanDerWaalsContact O-CG 3.3Å; I1135-R1139 WeakPolarHBondContact O-CG 3.18Å; I1135-R1139 PolarHBondContact O-N 3.44Å; Q1136-R1139 PolarHBondContact O-N 3.23Å; L1137-R1139 VanDerWaalsContact C-N 3.32Å; L1137-R1139 PolarHBondContact O-N 3.38Å; R1139-A1142 PolarHBondContact O-N 3.11Å; R1139-Y1143 PolarHBondContact O-N 3.19Å; R1139-Y1143 VanDerWaalsContact O-N 3.15Å
1140G90.4Very high90.3Very high4 Ų467 Ų674%0.04136%0.359CS..Hα-helixtrans-61.1-45.9174.800000112.5Q1136 L1137 Y1143 L1144Q1136-G1140 PolarHBondContact O-N 2.84Å; L1137-G1140 PolarHBondContact O-N 3.47Å; G1140-Y1143 WeakPolarHBondContact O-CB 3.3Å; G1140-Y1143 PolarHBondContact O-N 3.5Å; G1140-L1144 PolarHBondContact O-N 2.72Å
1141L92.3Very high90.2Very high39 Ų3967.9 Ų67.920%0.20436%0.357CS..Hα-helixtrans-61.5-44.4176.5-89.1-179.7000113.2L1137 I1138 Y1143 L1144 H1145 H1151 L1154L1137-L1141 HydrophobicContact CD2-CD1 3.44Å; L1137-L1141 VanDerWaalsContact CD2-CD1 3.44Å; L1137-L1141 HydrophobicContact CD2-CG 3.94Å; L1137-L1141 WeakPolarHBondContact O-CB 3.45Å; L1137-L1141 PolarHBondContact O-N 3.43Å; I1138-L1141 PolarHBondContact O-N 2.89Å; L1141-Y1143 PolarHBondContact O-N 3.47Å; L1141-L1144 PolarHBondContact O-N 2.84Å; L1141-H1145 WeakPolarHBondContact O-CB 3.38Å; L1141-H1145 VanDerWaalsContact O-CG 3.25Å; L1141-H1145 PolarHBondContact O-N 3.21Å; L1141-H1151 HydrophobicContact CD2-CB 4.5Å; L1141-L1154 HydrophobicContact CD1-CD1 3.59Å; L1141-L1154 HydrophobicContact CD2-CD1 3.38Å; L1141-L1154 HydrophobicContact CG-CD1 3.59Å
1142A93.9Very high89.8Confident57 Ų5774.2 Ų74.247%0.47138%0.375SS..Hα-helixtrans-59.6-39.417800000111.3I1138 R1139 K1146I1138-A1142 VanDerWaalsContact O-CB 3.29Å; I1138-A1142 WeakPolarHBondContact O-CB 3.1Å; I1138-A1142 PolarHBondContact O-N 3.09Å; R1139-A1142 PolarHBondContact O-N 3.11Å; A1142-K1146 WeakPolarHBondContact O-CB 3.37Å; A1142-K1146 PolarHBondContact O-N 2.81Å
1143Y93.5Very high89.4Confident44 Ų4476 Ų7617%0.17338%0.384CS..Hα-helixtrans-64.6-45.9174.1-179.8-85.4000112.4L1083 D1084 H1085 I1088 R1139 G1140 L1141 H1145 K1146 H1147L1083-Y1143 HydrophobicContact CB-CE1 4.34Å; L1083-Y1143 HydrophobicContact CD2-CE1 3.85Å; D1084-Y1143 PolarHBondContact N-OH 3.33Å; D1084-Y1143 WeakPolarHBondContact O-CE2 3.44Å; D1084-Y1143 VanDerWaalsContact O-CZ 3.3Å; D1084-Y1143 PolarHBondContact O-OH 2.77Å; D1084-Y1143 VanDerWaalsContact O-OH 3.1Å; H1085-Y1143 HydrophobicContact CB-CD1 3.82Å; H1085-Y1143 HydrophobicContact CB-CD2 3.87Å; H1085-Y1143 HydrophobicContact CB-CE1 3.97Å; H1085-Y1143 HydrophobicContact CB-CE2 4.01Å; H1085-Y1143 HydrophobicContact CB-CG 3.75Å; H1085-Y1143 AromaticContact CD2-CD2 3.49Å; H1085-Y1143 VanDerWaalsContact CD2-CD2 3.49Å; H1085-Y1143 WeakPolarHBondContact CD2-CD2 3.41Å; H1085-Y1143 AromaticContact CD2-CG 3.69Å; H1085-Y1143 AromaticContact CG-CD2 3.9Å; H1085-Y1143 AromaticContact CG-CG 3.75Å; I1088-Y1143 HydrophobicContact CD1-CD1 3.34Å; I1088-Y1143 HydrophobicContact CD1-CE1 3.96Å; I1088-Y1143 HydrophobicContact CD1-CG 4.16Å; R1139-Y1143 PolarHBondContact O-N 3.19Å; R1139-Y1143 VanDerWaalsContact O-N 3.15Å; G1140-Y1143 WeakPolarHBondContact O-CB 3.3Å; G1140-Y1143 PolarHBondContact O-N 3.5Å; L1141-Y1143 PolarHBondContact O-N 3.47Å; Y1143-H1145 PolarHBondContact O-N 3.24Å; Y1143-K1146 WeakPolarHBondContact O-CB 3.42Å; Y1143-K1146 PolarHBondContact O-N 3.21Å; Y1143-H1147 AromaticContact CD1-ND1 3.77Å; Y1143-H1147 AromaticContact CD2-CE1 3.88Å; Y1143-H1147 AromaticContact CE1-CE1 3.59Å; Y1143-H1147 AromaticContact CE1-ND1 3.57Å; Y1143-H1147 AromaticContact CE2-CE1 3.37Å; Y1143-H1147 WeakPolarHBondContact CE2-CE1 3.34Å; Y1143-H1147 AromaticContact CZ-CE1 3.21Å; Y1143-H1147 AromaticContact CZ-ND1 3.71Å; Y1143-H1147 AromaticContact CZ-NE2 3.92Å; Y1143-H1147 PolarHBondContact O-N 3.27Å; Y1143-H1147 PolarHBondContact O-ND1 2.86Å
1144L93Very high89Confident14 Ų1477.9 Ų77.97%0.07340%0.396CS..Hα-helixtrans-59.3-47.1176.6-72.4177.2000111.6L1083 I1088 G1140 L1141 K1146 H1147 G1148 I1149 H1151L1083-L1144 HydrophobicContact CD1-CD2 3.72Å; L1083-L1144 HydrophobicContact CD2-CD2 4.07Å; I1088-L1144 HydrophobicContact CD1-CD2 3.66Å; I1088-L1144 HydrophobicContact CD1-CG 3.71Å; G1140-L1144 PolarHBondContact O-N 2.72Å; L1141-L1144 PolarHBondContact O-N 2.84Å; L1144-K1146 VanDerWaalsContact C-N 3.31Å; L1144-K1146 PolarHBondContact O-N 2.95Å; L1144-H1147 CarbonylContact O-C 3.5Å; L1144-H1147 WeakPolarHBondContact O-CA 3.47Å; L1144-H1147 PolarHBondContact O-N 3.25Å; L1144-G1148 PolarHBondContact O-N 3.31Å; L1144-I1149 CarbonylContact C-O 3.59Å; L1144-I1149 HydrophobicContact CB-CB 4.37Å; L1144-I1149 HydrophobicContact CD2-CB 4.28Å; L1144-I1149 HydrophobicContact CD2-CD1 4.46Å; L1144-I1149 HydrophobicContact CD2-CG2 4.05Å; L1144-I1149 PolarHBondContact O-N 2.71Å; L1144-H1151 HydrophobicContact CD1-CB 4.17Å
1145H95.9Very high88.3Confident102 Ų10280.3 Ų80.347%0.47240%0.398SS..Hα-helixtrans-62.3-38.2178.6-66.5172.5000112L1141 Y1143 H1147 G1148 I1149L1141-H1145 WeakPolarHBondContact O-CB 3.38Å; L1141-H1145 VanDerWaalsContact O-CG 3.25Å; L1141-H1145 PolarHBondContact O-N 3.21Å; Y1143-H1145 PolarHBondContact O-N 3.24Å; H1145-H1147 PolarHBondContact O-N 3.32Å; H1145-G1148 PolarHBondContact O-N 3.09Å; H1145-I1149 PolarHBondContact CD2-O 2.98Å
1146K93.5Very high87Confident179 Ų17978.2 Ų78.278%0.77840%0.398SS*.Hα-helixtrans-60.1-30.3173.6-175.6-179.5176.2-175.70112.5A1142 Y1143 L1144 G1148A1142-K1146 WeakPolarHBondContact O-CB 3.37Å; A1142-K1146 PolarHBondContact O-N 2.81Å; Y1143-K1146 WeakPolarHBondContact O-CB 3.42Å; Y1143-K1146 PolarHBondContact O-N 3.21Å; L1144-K1146 VanDerWaalsContact C-N 3.31Å; L1144-K1146 PolarHBondContact O-N 2.95Å; K1146-G1148 VanDerWaalsContact C-N 3.33Å
1147H91.1Very high85.5Confident86 Ų8681.2 Ų81.240%0.39841%0.414SS..THydrogen-bonded Turntrans-91.29.8175.3-67.681.6000113.3Y1143 L1144 H1145 I1149Y1143-H1147 AromaticContact CD1-ND1 3.77Å; Y1143-H1147 AromaticContact CD2-CE1 3.88Å; Y1143-H1147 AromaticContact CE1-CE1 3.59Å; Y1143-H1147 AromaticContact CE1-ND1 3.57Å; Y1143-H1147 AromaticContact CE2-CE1 3.37Å; Y1143-H1147 WeakPolarHBondContact CE2-CE1 3.34Å; Y1143-H1147 AromaticContact CZ-CE1 3.21Å; Y1143-H1147 AromaticContact CZ-ND1 3.71Å; Y1143-H1147 AromaticContact CZ-NE2 3.92Å; Y1143-H1147 PolarHBondContact O-N 3.27Å; Y1143-H1147 PolarHBondContact O-ND1 2.86Å; L1144-H1147 CarbonylContact O-C 3.5Å; L1144-H1147 WeakPolarHBondContact O-CA 3.47Å; L1144-H1147 PolarHBondContact O-N 3.25Å; H1145-H1147 PolarHBondContact O-N 3.32Å; H1147-I1149 VanDerWaalsContact C-N 3.27Å; H1147-I1149 HydrophobicContact CB-CD1 4.05Å; H1147-I1149 PolarHBondContact O-N 3.23Å
1148G89.6Confident83.3Confident67 Ų6783.6 Ų83.669%0.69143%0.431SS*.THydrogen-bonded Turntrans71.518.2179.600000114.3L1144 H1145 K1146L1144-G1148 PolarHBondContact O-N 3.31Å; H1145-G1148 PolarHBondContact O-N 3.09Å; K1146-G1148 VanDerWaalsContact C-N 3.33Å
1149I89.1Confident80.6Confident36 Ų3689.7 Ų89.719%0.18545%0.453CS..  trans-102.4128.4-177.4-63.8159.6000109.7I1079 L1083 L1144 H1145 H1147I1079-I1149 HydrophobicContact CG2-CD1 3.75Å; I1079-I1149 HydrophobicContact CG2-CG1 4.37Å; L1083-I1149 HydrophobicContact CD2-CD1 3.62Å; L1083-I1149 HydrophobicContact CG-CD1 4.5Å; L1144-I1149 CarbonylContact C-O 3.59Å; L1144-I1149 HydrophobicContact CB-CB 4.37Å; L1144-I1149 HydrophobicContact CD2-CB 4.28Å; L1144-I1149 HydrophobicContact CD2-CD1 4.46Å; L1144-I1149 HydrophobicContact CD2-CG2 4.05Å; L1144-I1149 PolarHBondContact O-N 2.71Å; H1145-I1149 PolarHBondContact CD2-O 2.98Å; H1147-I1149 VanDerWaalsContact C-N 3.27Å; H1147-I1149 HydrophobicContact CB-CD1 4.05Å; H1147-I1149 PolarHBondContact O-N 3.23Å
1150L87.8Confident80Confident111 Ų11188.2 Ų88.258%0.58145%0.453SS*.  trans-103.4120.6170.5-61.8174.9000108.7R1152L1150-R1152 VanDerWaalsContact C-N 3.34Å; L1150-R1152 HydrophobicContact CB-CG 4.1Å; L1150-R1152 PolarHBondContact O-N 2.93Å
1151H85.9Confident79.5Confident91 Ų9192.6 Ų92.642%0.42148%0.475SS..  trans-64.8-36.9-179.3-170-70.6000112.9L1141 L1144 D1153 L1154L1141-H1151 HydrophobicContact CD2-CB 4.5Å; L1144-H1151 HydrophobicContact CD1-CB 4.17Å; H1151-D1153 PolarHBondContact CE1-O 3.14Å; H1151-D1153 VanDerWaalsContact ND1-C 3.32Å; H1151-D1153 PolarHBondContact ND1-N 2.86Å; H1151-D1153 PolarHBondContact ND1-O 3.28Å; H1151-D1153 PolarHBondContact O-N 3.13Å; H1151-L1154 HydrophobicContact CB-CD1 4.34Å; H1151-L1154 HydrophobicContact CB-CG 4.08Å
1152R78.6Confident78.7Confident233 Ų23395.6 Ų95.688%0.87949%0.49SS*.  trans63.5-26.9179-60.7175.7177-175.2-0.5117.3L1150L1150-R1152 VanDerWaalsContact C-N 3.34Å; L1150-R1152 HydrophobicContact CB-CG 4.1Å; L1150-R1152 PolarHBondContact O-N 2.93Å
1153D77.7Confident77.8Confident93 Ų9397.8 Ų97.850%0.49749%0.491SS..  trans-126.857-179.3-167.232.2000113.4H1151 K1155H1151-D1153 PolarHBondContact CE1-O 3.14Å; H1151-D1153 VanDerWaalsContact ND1-C 3.32Å; H1151-D1153 PolarHBondContact ND1-N 2.86Å; H1151-D1153 PolarHBondContact ND1-O 3.28Å; H1151-D1153 PolarHBondContact O-N 3.13Å; D1153-K1155 IonicContact OD1-NZ 2.9Å; D1153-K1155 PolarHBondContact OD1-NZ 3.21Å; D1153-K1155 IonicContact OD2-NZ 3.82Å; D1153-K1155 PolarHBondContact OD2-NZ 2.8Å
1154L78.3Confident76.9Confident69 Ų69101.2 Ų101.236%0.36151%0.511SS..  trans-87.4115.1171-75.8173000110.2L858 L1137 L1141 H1151L858-L1154 HydrophobicContact CD1-CD2 4.4Å; L1137-L1154 HydrophobicContact CD2-CD1 4.11Å; L1141-L1154 HydrophobicContact CD1-CD1 3.59Å; L1141-L1154 HydrophobicContact CD2-CD1 3.38Å; L1141-L1154 HydrophobicContact CG-CD1 3.59Å; H1151-L1154 HydrophobicContact CB-CD1 4.34Å; H1151-L1154 HydrophobicContact CB-CG 4.08Å
1155K72.9Confident75.8Confident77 Ų77107 Ų10734%0.33554%0.54SS..  trans-146.5150.4177.766.5-166.4177-139.40111.2E859 D1153E859-K1155 WeakPolarHBondContact OE2-CE 3.14Å; D1153-K1155 IonicContact OD1-NZ 2.9Å; D1153-K1155 PolarHBondContact OD1-NZ 3.21Å; D1153-K1155 IonicContact OD2-NZ 3.82Å; D1153-K1155 PolarHBondContact OD2-NZ 2.8Å
1156G61.9Low74.4Confident41 Ų41107.4 Ų107.442%0.42355%0.545SS..  trans-120.196.9160.300000106.3V1158G1156-V1158 PolarHBondContact O-N 2.98Å; G1156-V1158 VanDerWaalsContact O-N 3.1Å
1157N55.8Low72.9Confident78 Ų78101.8 Ų101.842%0.41753%0.527SS..  trans-74.3102.1-177.1-78.4-28.4000110T1116 K1159T1116-N1157 WeakPolarHBondContact CG2-O 3.41Å; T1116-N1157 PolarHBondContact OG1-N 3.12Å; T1116-N1157 PolarHBondContact OG1-O 3.41Å; N1157-K1159 PolarHBondContact O-N 3.25Å
1158V44.4Very low71.4Confident101 Ų101103.2 Ų103.261%0.61254%0.538SS*.  trans-77.5108.6153.2-172.40000105.5L1119 G1156L1119-V1158 HydrophobicContact CB-CG2 4.22Å; L1119-V1158 HydrophobicContact CD1-CG2 3.56Å; L1119-V1158 HydrophobicContact CG-CG2 4.46Å; G1156-V1158 PolarHBondContact O-N 2.98Å; G1156-V1158 VanDerWaalsContact O-N 3.1Å
1159K34.7Very low69.7Low241 Ų241106.5 Ų106.5100%1.04852%0.524SS*.  trans-66.70168-93.1-171.7177.6179.20110N1157N1157-K1159 PolarHBondContact O-N 3.25Å

Retrieved 1,159 of 1,159 residues in 1438.4 ms (Link to these results)

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