A0A3Q0KLM2_SCHMA Loading...

Protein FAM91A1

AlphaFold DB , UniProt , Accession A0A3Q0KLM2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 815 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
1M51.4Low80.4Confident108 Ų10870.6 Ų70.653%0.53233%0.329SS..  0133.60-150.4-170.3-65.100107.1L3 E19 V20M1-L3 PolarHBondContact O-N 3.15Å; M1-E19 PolarHBondContact N-OE2 3.47Å; M1-V20 VanDerWaalsContact O-CG2 3.26Å; M1-V20 WeakPolarHBondContact O-CG2 3.38Å
2D76.4Confident81Confident91 Ų9168.5 Ų68.549%0.48733%0.328SS..  trans-61.7133.6-177-58.2-45.6000111.3W4 K5 S6D2-W4 PolarHBondContact O-N 2.88Å; D2-K5 HydrophobicContact CB-CD 4.29Å; D2-K5 HydrophobicContact CB-CG 4.41Å; D2-K5 PolarHBondContact O-N 3.32Å; D2-K5 IonicContact OD2-NZ 2.79Å; D2-K5 PolarHBondContact OD2-NZ 3.4Å; D2-S6 PolarHBondContact O-N 2.9Å
3L81.5Confident81.2Confident7 Ų766.5 Ų66.54%0.03732%0.315CS..Hα-helixtrans-43.4-42.9178.6172.365.3000113.4M1 S6 I7 V20 L24 Y31 Q34M1-L3 PolarHBondContact O-N 3.15Å; L3-S6 WeakPolarHBondContact O-CB 3.21Å; L3-S6 PolarHBondContact O-N 2.8Å; L3-I7 HydrophobicContact CD1-CD1 4.48Å; L3-I7 HydrophobicContact CG-CD1 4.41Å; L3-I7 PolarHBondContact O-N 2.96Å; L3-V20 HydrophobicContact CD1-CG1 3.6Å; L3-L24 HydrophobicContact CD1-CD1 3.8Å; L3-L24 HydrophobicContact CD1-CD2 4.4Å; L3-L24 HydrophobicContact CD1-CG 4.36Å; L3-L24 HydrophobicContact CD2-CD2 4.2Å; L3-Y31 HydrophobicContact CD1-CD2 3.98Å; L3-Y31 HydrophobicContact CD1-CE2 3.99Å; L3-Q34 HydrophobicContact CD2-CB 4.25Å; L3-Q34 HydrophobicContact CD2-CG 4.03Å
4W83Confident81.5Confident108 Ų10875 Ų7541%0.40935%0.35SS..Hα-helixtrans-67.9-39-176.7-46.3121.6000113D2 S6 I7 E8 Q34 H38D2-W4 PolarHBondContact O-N 2.88Å; W4-S6 PolarHBondContact O-N 3.35Å; W4-I7 HydrophobicContact CE3-CD1 3.99Å; W4-I7 HydrophobicContact CZ3-CD1 4.28Å; W4-I7 PolarHBondContact O-N 3.06Å; W4-I7 VanDerWaalsContact O-N 3.11Å; W4-E8 WeakPolarHBondContact O-CG 3.26Å; W4-E8 PolarHBondContact O-N 3.25Å; W4-Q34 HydrophobicContact CZ3-CB 4.41Å; W4-H38 HydrophobicContact CE3-CB 4.19Å; W4-H38 AromaticContact CE3-ND1 3.55Å; W4-H38 HydrophobicContact CZ3-CB 4.15Å
5K83.9Confident81.8Confident104 Ų10478 Ų7845%0.45236%0.364SS..Hα-helixtrans-64.3-31176.6-71.3174.4179.3146.50111.6D2 K9D2-K5 HydrophobicContact CB-CD 4.29Å; D2-K5 HydrophobicContact CB-CG 4.41Å; D2-K5 PolarHBondContact O-N 3.32Å; D2-K5 IonicContact OD2-NZ 2.79Å; D2-K5 PolarHBondContact OD2-NZ 3.4Å; K5-K9 WeakPolarHBondContact O-CB 3.27Å; K5-K9 WeakPolarHBondContact O-CG 3.49Å; K5-K9 PolarHBondContact O-N 3.4Å; K5-K9 VanDerWaalsContact O-N 3.12Å
6S82.6Confident81.9Confident1 Ų173.9 Ų73.91%0.00735%0.346CS..Hα-helixtrans-68.2-39.2174.6-55.60000111.7D2 L3 W4 K9 N10 L11D2-S6 PolarHBondContact O-N 2.9Å; L3-S6 WeakPolarHBondContact O-CB 3.21Å; L3-S6 PolarHBondContact O-N 2.8Å; W4-S6 PolarHBondContact O-N 3.35Å; S6-K9 PolarHBondContact O-N 3.26Å; S6-N10 PolarHBondContact O-N 3.43Å; S6-L11 WeakPolarHBondContact O-CB 3.38Å; S6-L11 PolarHBondContact O-N 2.9Å
7I83.7Confident82.2Confident1 Ų171.9 Ų71.91%0.00534%0.342CS..Hα-helixtrans-67.7-44.9176.4-64.1168.9000110.5L3 W4 K9 N10 Y31 Q34 I35 H38 I50L3-I7 HydrophobicContact CD1-CD1 4.48Å; L3-I7 HydrophobicContact CG-CD1 4.41Å; L3-I7 PolarHBondContact O-N 2.96Å; W4-I7 HydrophobicContact CE3-CD1 3.99Å; W4-I7 HydrophobicContact CZ3-CD1 4.28Å; W4-I7 PolarHBondContact O-N 3.06Å; W4-I7 VanDerWaalsContact O-N 3.11Å; I7-K9 PolarHBondContact O-N 3.12Å; I7-N10 WeakPolarHBondContact O-CA 3.42Å; I7-N10 PolarHBondContact O-N 2.99Å; I7-Y31 HydrophobicContact CD1-CE2 4.27Å; I7-Y31 HydrophobicContact CG1-CE2 3.77Å; I7-Q34 HydrophobicContact CD1-CB 4.31Å; I7-I35 HydrophobicContact CD1-CG1 4.31Å; I7-I35 HydrophobicContact CG1-CG1 4.11Å; I7-I35 HydrophobicContact CG2-CG1 4.46Å; I7-H38 HydrophobicContact CD1-CB 4.19Å; I7-H38 HydrophobicContact CG2-CB 4.29Å; I7-I50 HydrophobicContact CG2-CG2 4.18Å
8E83.3Confident82.2Confident121 Ų12173.2 Ų73.257%0.56536%0.36SS*.Hα-helixtrans-60.2-33.8176.4-73.2171.4-177.300112.7W4 N10 H38W4-E8 WeakPolarHBondContact O-CG 3.26Å; W4-E8 PolarHBondContact O-N 3.25Å; E8-N10 PolarHBondContact O-N 3.21Å; E8-H38 IonicContact OE1-CE1 2.91Å
9K85.6Confident82.4Confident136 Ų13676.3 Ų76.359%0.59137%0.373SS*.THydrogen-bonded Turntrans-80.43.7174.3-73-179.9-179.9-177.60113.9K5 S6 I7 L11K5-K9 WeakPolarHBondContact O-CB 3.27Å; K5-K9 WeakPolarHBondContact O-CG 3.49Å; K5-K9 PolarHBondContact O-N 3.4Å; K5-K9 VanDerWaalsContact O-N 3.12Å; S6-K9 PolarHBondContact O-N 3.26Å; I7-K9 PolarHBondContact O-N 3.12Å; K9-L11 HydrophobicContact CB-CD1 4.4Å; K9-L11 HydrophobicContact CB-CD2 4.39Å; K9-L11 HydrophobicContact CB-CG 3.92Å; K9-L11 PolarHBondContact O-N 3.26Å
10N87.2Confident82.4Confident61 Ų6172.5 Ų72.533%0.32636%0.355SS..THydrogen-bonded Turntrans55.133.6-177.5-65.2-49000114.1S6 I7 E8 G48 N49 I50S6-N10 PolarHBondContact O-N 3.43Å; I7-N10 WeakPolarHBondContact O-CA 3.42Å; I7-N10 PolarHBondContact O-N 2.99Å; E8-N10 PolarHBondContact O-N 3.21Å; N10-G48 PolarHBondContact ND2-O 3.26Å; N10-N49 VanDerWaalsContact OD1-CA 3.32Å; N10-N49 WeakPolarHBondContact OD1-CA 3.41Å; N10-I50 HydrophobicContact CB-CB 4.24Å; N10-I50 PolarHBondContact OD1-N 3.17Å
11L86Confident82.5Confident39 Ų3970.6 Ų70.620%0.20435%0.345CS..  trans-72.9129.5-179.2-62.4-179.5000111.3S6 K9 E15 L16 Y31 I50S6-L11 WeakPolarHBondContact O-CB 3.38Å; S6-L11 PolarHBondContact O-N 2.9Å; K9-L11 HydrophobicContact CB-CD1 4.4Å; K9-L11 HydrophobicContact CB-CD2 4.39Å; K9-L11 HydrophobicContact CB-CG 3.92Å; K9-L11 PolarHBondContact O-N 3.26Å; L11-E15 HydrophobicContact CB-CB 4.33Å; L11-E15 HydrophobicContact CD2-CB 4.41Å; L11-L16 HydrophobicContact CB-CD2 4.32Å; L11-Y31 PolarHBondContact O-OH 2.86Å; L11-I50 VanDerWaalsContact C-CD1 3.49Å; L11-I50 WeakPolarHBondContact O-CD1 3.37Å
12S87.1Confident84.1Confident45 Ų4571 Ų7132%0.31535%0.348SS..  trans-69.1161.6174.8690000111.5F14 E15 L16S12-F14 PolarHBondContact O-N 2.96Å; S12-F14 VanDerWaalsContact O-N 3.09Å; S12-E15 WeakPolarHBondContact CB-OE2 3.08Å; S12-E15 PolarHBondContact N-OE2 3.48Å; S12-E15 PolarHBondContact O-N 3.3Å; S12-E15 VanDerWaalsContact OG-CD 3.22Å; S12-E15 WeakPolarHBondContact OG-CG 3.13Å; S12-E15 PolarHBondContact OG-OE2 2.58Å; S12-L16 PolarHBondContact O-N 3.24Å
13W84.2Confident84.5Confident43 Ų4372.5 Ų72.516%0.16335%0.352CS..G310 helixtrans-51.4-36.4179.7174.9-105.1000113.3E15 L16 H21 L24 D26 D27 P28 Y31W13-E15 VanDerWaalsContact C-N 3.33Å; W13-E15 PolarHBondContact O-N 3.05Å; W13-L16 HydrophobicContact CD2-CD1 4.34Å; W13-L16 HydrophobicContact CE3-CD1 3.52Å; W13-L16 HydrophobicContact CZ3-CD1 3.97Å; W13-H21 AromaticContact CD2-CE1 3.78Å; W13-H21 AromaticContact CE2-CE1 3.36Å; W13-H21 AromaticContact CE2-ND1 3.71Å; W13-H21 AromaticContact CH2-CE1 3.95Å; W13-H21 AromaticContact CH2-ND1 3.51Å; W13-H21 AromaticContact CZ2-CE1 3.48Å; W13-H21 VanDerWaalsContact CZ2-CE1 3.48Å; W13-H21 WeakPolarHBondContact CZ2-CE1 3.45Å; W13-H21 AromaticContact CZ2-ND1 3.3Å; W13-H21 VanDerWaalsContact CZ2-ND1 3.3Å; W13-H21 WeakPolarHBondContact CZ2-ND1 3.4Å; W13-H21 AromaticContact NE1-CE1 3.66Å; W13-H21 PolarHBondContact O-CE1 3.36Å; W13-H21 PolarHBondContact O-NE2 3.4Å; W13-L24 HydrophobicContact CH2-CB 4.42Å; W13-L24 HydrophobicContact CZ3-CB 4.37Å; W13-L24 HydrophobicContact CZ3-CD1 3.83Å; W13-D26 WeakPolarHBondContact CZ2-O 3.34Å; W13-D27 VanDerWaalsContact CH2-C 3.43Å; W13-D27 WeakPolarHBondContact CH2-O 3.4Å; W13-P28 HydrophobicContact CD2-CB 3.84Å; W13-P28 HydrophobicContact CE3-CB 4.37Å; W13-P28 HydrophobicContact CG-CB 4.11Å; W13-P28 HydrophobicContact CZ2-CB 4.12Å; W13-Y31 HydrophobicContact CB-CD1 4.25Å; W13-Y31 VanDerWaalsContact CE3-CB 3.46Å; W13-Y31 AromaticContact CE3-CD1 3.8Å; W13-Y31 HydrophobicContact CE3-CD1 3.8Å; W13-Y31 AromaticContact CE3-CG 3.74Å; W13-Y31 HydrophobicContact CE3-CG 3.74Å; W13-Y31 HydrophobicContact CZ3-CG 4.16Å
14F85.2Confident84.7Confident185 Ų18572.6 Ų72.681%0.81135%0.353SS*.G310 helixtrans-79.1-14.2-177.8-57.9-73.5000114S12S12-F14 PolarHBondContact O-N 2.96Å; S12-F14 VanDerWaalsContact O-N 3.09Å
15E85.2Confident84.8Confident120 Ų12073 Ų7356%0.56136%0.363SS*.G310 helixtrans-96-3.3178.9-66.2165.4143.400112.1L11 S12 W13L11-E15 HydrophobicContact CB-CB 4.33Å; L11-E15 HydrophobicContact CD2-CB 4.41Å; S12-E15 WeakPolarHBondContact CB-OE2 3.08Å; S12-E15 PolarHBondContact N-OE2 3.48Å; S12-E15 PolarHBondContact O-N 3.3Å; S12-E15 VanDerWaalsContact OG-CD 3.22Å; S12-E15 WeakPolarHBondContact OG-CG 3.13Å; S12-E15 PolarHBondContact OG-OE2 2.58Å; W13-E15 VanDerWaalsContact C-N 3.33Å; W13-E15 PolarHBondContact O-N 3.05Å
16L84.5Confident84.8Confident12 Ų1272.9 Ų72.96%0.06337%0.367CS..SBendtrans-68.8142.8179.4-64.9178.2000111.1L11 S12 W13 V20 H21 Y31L11-L16 HydrophobicContact CB-CD2 4.32Å; S12-L16 PolarHBondContact O-N 3.24Å; W13-L16 HydrophobicContact CD2-CD1 4.34Å; W13-L16 HydrophobicContact CE3-CD1 3.52Å; W13-L16 HydrophobicContact CZ3-CD1 3.97Å; L16-V20 HydrophobicContact CB-CB 4.48Å; L16-V20 HydrophobicContact CD1-CG1 4.08Å; L16-V20 HydrophobicContact CD2-CG1 4.29Å; L16-H21 PolarHBondContact O-CD2 3.22Å; L16-Y31 HydrophobicContact CD1-CD1 3.99Å; L16-Y31 HydrophobicContact CD1-CD2 3.91Å; L16-Y31 HydrophobicContact CD1-CE1 3.87Å; L16-Y31 HydrophobicContact CD1-CE2 3.83Å; L16-Y31 HydrophobicContact CD1-CG 4Å; L16-Y31 HydrophobicContact CD2-CE2 4.13Å; L16-Y31 HydrophobicContact CG-CE1 4.45Å
17S86Confident85.1Confident41 Ų4175.5 Ų75.529%0.28738%0.381SS..  trans-65.5151.7172.360.30000111.4E19 V20 H21S17-E19 PolarHBondContact O-N 2.79Å; S17-E19 VanDerWaalsContact O-N 3.11Å; S17-V20 PolarHBondContact O-N 3.41Å; S17-V20 WeakPolarHBondContact OG-CG2 3.44Å; S17-H21 PolarHBondContact O-N 2.84Å
18S83.1Confident85.3Confident95 Ų9578.1 Ų78.166%0.66440%0.398SS*.Hα-helixtrans-54.7-31.6177.9-48.30000113.8H21 I22S18-H21 WeakPolarHBondContact O-CB 3.31Å; S18-H21 PolarHBondContact O-N 3.46Å; S18-I22 WeakPolarHBondContact O-CD1 3.13Å; S18-I22 VanDerWaalsContact O-CG1 3.24Å; S18-I22 WeakPolarHBondContact O-CG1 3.43Å; S18-I22 PolarHBondContact O-N 3.15Å
19E86.1Confident85.6Confident132 Ų13279.1 Ų79.162%0.61740%0.401SS*.Hα-helixtrans-61.3-43.3175.2-68174.2171.800112.8M1 S17 I22 Q23M1-E19 PolarHBondContact N-OE2 3.47Å; S17-E19 PolarHBondContact O-N 2.79Å; S17-E19 VanDerWaalsContact O-N 3.11Å; E19-I22 PolarHBondContact O-N 2.88Å; E19-Q23 PolarHBondContact O-N 2.64Å
20V81.7Confident85.7Confident0 Ų076.1 Ų76.10%039%0.388CS..Hα-helixtrans-72.6-38.2-178.3177.90000110.3M1 L3 L16 S17 I22 Q23 L24M1-V20 VanDerWaalsContact O-CG2 3.26Å; M1-V20 WeakPolarHBondContact O-CG2 3.38Å; L3-V20 HydrophobicContact CD1-CG1 3.6Å; L16-V20 HydrophobicContact CB-CB 4.48Å; L16-V20 HydrophobicContact CD1-CG1 4.08Å; L16-V20 HydrophobicContact CD2-CG1 4.29Å; S17-V20 PolarHBondContact O-N 3.41Å; S17-V20 WeakPolarHBondContact OG-CG2 3.44Å; V20-I22 VanDerWaalsContact C-N 3.34Å; V20-I22 PolarHBondContact O-N 3.41Å; V20-Q23 WeakPolarHBondContact O-CB 3.32Å; V20-Q23 PolarHBondContact O-N 3.3Å; V20-L24 HydrophobicContact CG1-CD1 4.05Å; V20-L24 WeakPolarHBondContact O-CG 3.29Å; V20-L24 PolarHBondContact O-N 3.25Å
21H84.8Confident85.9Confident32 Ų3273.4 Ų73.415%0.14837%0.373CS..Hα-helixtrans-54.1-50.5170.1-90.7-65.3000111.6W13 L16 S17 S18 Q23 L24 N25 D26W13-H21 AromaticContact CD2-CE1 3.78Å; W13-H21 AromaticContact CE2-CE1 3.36Å; W13-H21 AromaticContact CE2-ND1 3.71Å; W13-H21 AromaticContact CH2-CE1 3.95Å; W13-H21 AromaticContact CH2-ND1 3.51Å; W13-H21 AromaticContact CZ2-CE1 3.48Å; W13-H21 VanDerWaalsContact CZ2-CE1 3.48Å; W13-H21 WeakPolarHBondContact CZ2-CE1 3.45Å; W13-H21 AromaticContact CZ2-ND1 3.3Å; W13-H21 VanDerWaalsContact CZ2-ND1 3.3Å; W13-H21 WeakPolarHBondContact CZ2-ND1 3.4Å; W13-H21 AromaticContact NE1-CE1 3.66Å; W13-H21 PolarHBondContact O-CE1 3.36Å; W13-H21 PolarHBondContact O-NE2 3.4Å; L16-H21 PolarHBondContact O-CD2 3.22Å; S17-H21 PolarHBondContact O-N 2.84Å; S18-H21 WeakPolarHBondContact O-CB 3.31Å; S18-H21 PolarHBondContact O-N 3.46Å; H21-Q23 PolarHBondContact O-N 2.94Å; H21-L24 CarbonylContact O-C 3.52Å; H21-L24 PolarHBondContact O-N 2.95Å; H21-N25 PolarHBondContact O-N 2.97Å; H21-D26 VanDerWaalsContact CB-OD1 3.28Å; H21-D26 WeakPolarHBondContact CB-OD1 3.44Å; H21-D26 IonicContact CG-OD1 2.76Å; H21-D26 IonicContact ND1-OD1 3.91Å; H21-D26 PolarHBondContact O-N 2.91Å
22I85.2Confident86.1Confident118 Ų11875.9 Ų75.961%0.60538%0.383SS*.Hα-helixtrans-61.2-44175.9-66.4163.1000111.2S18 E19 V20 L24 N25S18-I22 WeakPolarHBondContact O-CD1 3.13Å; S18-I22 VanDerWaalsContact O-CG1 3.24Å; S18-I22 WeakPolarHBondContact O-CG1 3.43Å; S18-I22 PolarHBondContact O-N 3.15Å; E19-I22 PolarHBondContact O-N 2.88Å; V20-I22 VanDerWaalsContact C-N 3.34Å; V20-I22 PolarHBondContact O-N 3.41Å; I22-L24 PolarHBondContact O-N 3.39Å; I22-N25 PolarHBondContact O-N 2.94Å
23Q85.5Confident86.3Confident121 Ų12179.6 Ų79.657%0.56540%0.396SS*.Hα-helixtrans-59.1-32178.7-171.9-179.97.700112.8E19 V20 H21E19-Q23 PolarHBondContact O-N 2.64Å; V20-Q23 WeakPolarHBondContact O-CB 3.32Å; V20-Q23 PolarHBondContact O-N 3.3Å; H21-Q23 PolarHBondContact O-N 2.94Å
24L85.1Confident86.6Confident10 Ų1080 Ų805%0.05240%0.4CS..THydrogen-bonded Turntrans-96.110.4178.9-62.7173.3000113L3 W13 V20 H21 I22 D26 D27 K30 Y31 Q34L3-L24 HydrophobicContact CD1-CD1 3.8Å; L3-L24 HydrophobicContact CD1-CD2 4.4Å; L3-L24 HydrophobicContact CD1-CG 4.36Å; L3-L24 HydrophobicContact CD2-CD2 4.2Å; W13-L24 HydrophobicContact CH2-CB 4.42Å; W13-L24 HydrophobicContact CZ3-CB 4.37Å; W13-L24 HydrophobicContact CZ3-CD1 3.83Å; V20-L24 HydrophobicContact CG1-CD1 4.05Å; V20-L24 WeakPolarHBondContact O-CG 3.29Å; V20-L24 PolarHBondContact O-N 3.25Å; H21-L24 CarbonylContact O-C 3.52Å; H21-L24 PolarHBondContact O-N 2.95Å; I22-L24 PolarHBondContact O-N 3.39Å; L24-D26 PolarHBondContact O-N 3.28Å; L24-D27 PolarHBondContact O-N 2.58Å; L24-K30 HydrophobicContact CD2-CB 4.29Å; L24-K30 WeakPolarHBondContact O-CD 3Å; L24-Y31 HydrophobicContact CD1-CD2 3.69Å; L24-Y31 HydrophobicContact CD1-CG 4.13Å; L24-Q34 HydrophobicContact CD2-CG 4.07Å
25N85.7Confident86.9Confident115 Ų11571.3 Ų71.362%0.61536%0.362SS*.THydrogen-bonded Turntrans53.836-175.7-56.1-16000113.6H21 I22 D27 K30H21-N25 PolarHBondContact O-N 2.97Å; I22-N25 PolarHBondContact O-N 2.94Å; N25-D27 PolarHBondContact O-N 2.99Å; N25-K30 PolarHBondContact ND2-NZ 2.92Å; N25-K30 VanDerWaalsContact ND2-NZ 3.14Å
26D83.9Confident87.3Confident103 Ų10366.9 Ų66.955%0.55134%0.341SS*.THydrogen-bonded Turntrans55.321.2-177.6-68.6-51.6000114.7W13 H21 L24 P28W13-D26 WeakPolarHBondContact CZ2-O 3.34Å; H21-D26 VanDerWaalsContact CB-OD1 3.28Å; H21-D26 WeakPolarHBondContact CB-OD1 3.44Å; H21-D26 IonicContact CG-OD1 2.76Å; H21-D26 IonicContact ND1-OD1 3.91Å; H21-D26 PolarHBondContact O-N 2.91Å; L24-D26 PolarHBondContact O-N 3.28Å; D26-P28 WeakPolarHBondContact O-CD 3.07Å
27D87.6Confident87.6Confident56 Ų5669.6 Ų69.630%0.29936%0.356SS..  trans-97.3110.1179.1-172-5.2000111.2W13 L24 N25 K29 K30W13-D27 VanDerWaalsContact CH2-C 3.43Å; W13-D27 WeakPolarHBondContact CH2-O 3.4Å; L24-D27 PolarHBondContact O-N 2.58Å; N25-D27 PolarHBondContact O-N 2.99Å; D27-K29 PolarHBondContact O-N 3.27Å; D27-K29 WeakPolarHBondContact OD1-CB 3.47Å; D27-K29 PolarHBondContact OD1-N 3.43Å; D27-K30 HydrophobicContact CB-CB 4.35Å; D27-K30 HydrophobicContact CB-CD 4.1Å; D27-K30 HydrophobicContact CB-CG 4.05Å; D27-K30 PolarHBondContact O-N 3.17Å
28P87.4Confident87.7Confident56 Ų5668.3 Ų68.336%0.36435%0.345SS..Hα-helixtrans-61.7-28.8178.624.5-33.3000112.5W13 D26 K30 Y31 E32W13-P28 HydrophobicContact CD2-CB 3.84Å; W13-P28 HydrophobicContact CE3-CB 4.37Å; W13-P28 HydrophobicContact CG-CB 4.11Å; W13-P28 HydrophobicContact CZ2-CB 4.12Å; D26-P28 WeakPolarHBondContact O-CD 3.07Å; P28-K30 VanDerWaalsContact C-N 3.33Å; P28-K30 PolarHBondContact O-N 3.35Å; P28-Y31 WeakPolarHBondContact O-CB 3.49Å; P28-Y31 PolarHBondContact O-N 3.41Å; P28-Y31 VanDerWaalsContact O-N 3.15Å; P28-E32 PolarHBondContact O-N 3.13Å; P28-E32 VanDerWaalsContact O-N 3.09Å
29K89.8Confident88.1Confident141 Ų14163.8 Ų63.861%0.61331%0.314SS*.Hα-helixtrans-67-36.6179.7-67.4-177.4177.8178.40112D27 Y31 E32 E33D27-K29 PolarHBondContact O-N 3.27Å; D27-K29 WeakPolarHBondContact OD1-CB 3.47Å; D27-K29 PolarHBondContact OD1-N 3.43Å; K29-Y31 PolarHBondContact O-N 3.11Å; K29-E32 WeakPolarHBondContact O-CB 3.49Å; K29-E32 PolarHBondContact O-N 2.9Å; K29-E33 WeakPolarHBondContact O-CG 3.32Å; K29-E33 PolarHBondContact O-N 3.47Å
30K89.1Confident88.4Confident73 Ų7358.5 Ų58.532%0.31729%0.289SS..Hα-helixtrans-63.9-35.2174.4-70-176-174.6173.60111.2L24 N25 D27 P28 E33 Q34L24-K30 HydrophobicContact CD2-CB 4.29Å; L24-K30 WeakPolarHBondContact O-CD 3Å; N25-K30 PolarHBondContact ND2-NZ 2.92Å; N25-K30 VanDerWaalsContact ND2-NZ 3.14Å; D27-K30 HydrophobicContact CB-CB 4.35Å; D27-K30 HydrophobicContact CB-CD 4.1Å; D27-K30 HydrophobicContact CB-CG 4.05Å; D27-K30 PolarHBondContact O-N 3.17Å; P28-K30 VanDerWaalsContact C-N 3.33Å; P28-K30 PolarHBondContact O-N 3.35Å; K30-E33 PolarHBondContact O-N 3.16Å; K30-Q34 VanDerWaalsContact O-CG 3.24Å; K30-Q34 WeakPolarHBondContact O-CG 3.44Å; K30-Q34 PolarHBondContact O-N 2.9Å
31Y89.9Confident88.7Confident5 Ų563.5 Ų63.52%0.0231%0.308CS..Hα-helixtrans-64-44.8173.3-171.3-129.1000112L3 I7 L11 W13 L16 L24 P28 K29 E33 Q34 I35 I50L3-Y31 HydrophobicContact CD1-CD2 3.98Å; L3-Y31 HydrophobicContact CD1-CE2 3.99Å; I7-Y31 HydrophobicContact CD1-CE2 4.27Å; I7-Y31 HydrophobicContact CG1-CE2 3.77Å; L11-Y31 PolarHBondContact O-OH 2.86Å; W13-Y31 HydrophobicContact CB-CD1 4.25Å; W13-Y31 VanDerWaalsContact CE3-CB 3.46Å; W13-Y31 AromaticContact CE3-CD1 3.8Å; W13-Y31 HydrophobicContact CE3-CD1 3.8Å; W13-Y31 AromaticContact CE3-CG 3.74Å; W13-Y31 HydrophobicContact CE3-CG 3.74Å; W13-Y31 HydrophobicContact CZ3-CG 4.16Å; L16-Y31 HydrophobicContact CD1-CD1 3.99Å; L16-Y31 HydrophobicContact CD1-CD2 3.91Å; L16-Y31 HydrophobicContact CD1-CE1 3.87Å; L16-Y31 HydrophobicContact CD1-CE2 3.83Å; L16-Y31 HydrophobicContact CD1-CG 4Å; L16-Y31 HydrophobicContact CD2-CE2 4.13Å; L16-Y31 HydrophobicContact CG-CE1 4.45Å; L24-Y31 HydrophobicContact CD1-CD2 3.69Å; L24-Y31 HydrophobicContact CD1-CG 4.13Å; P28-Y31 WeakPolarHBondContact O-CB 3.49Å; P28-Y31 PolarHBondContact O-N 3.41Å; P28-Y31 VanDerWaalsContact O-N 3.15Å; K29-Y31 PolarHBondContact O-N 3.11Å; Y31-E33 VanDerWaalsContact C-N 3.31Å; Y31-E33 PolarHBondContact O-N 3.3Å; Y31-Q34 PolarHBondContact O-N 3.45Å; Y31-Q34 VanDerWaalsContact O-N 3.14Å; Y31-I35 HydrophobicContact CD1-CD1 3.63Å; Y31-I35 HydrophobicContact CD1-CG1 4.41Å; Y31-I35 HydrophobicContact CD2-CG1 4.48Å; Y31-I35 HydrophobicContact CE1-CD1 3.47Å; Y31-I35 VanDerWaalsContact CE1-CD1 3.47Å; Y31-I35 HydrophobicContact CE1-CG1 4.19Å; Y31-I35 HydrophobicContact CE2-CD1 4.37Å; Y31-I35 HydrophobicContact CE2-CG1 4.22Å; Y31-I35 HydrophobicContact CG-CD1 4.17Å; Y31-I35 WeakPolarHBondContact O-CG1 3.46Å; Y31-I35 PolarHBondContact O-N 3.4Å; Y31-I50 HydrophobicContact CE1-CD1 4.3Å
32E91.1Very high88.9Confident90 Ų9063.8 Ų63.842%0.42131%0.31SS..Hα-helixtrans-58.1-42.5174.8-65.7-178.4-17800111.9P28 K29 I35 L36 V54P28-E32 PolarHBondContact O-N 3.13Å; P28-E32 VanDerWaalsContact O-N 3.09Å; K29-E32 WeakPolarHBondContact O-CB 3.49Å; K29-E32 PolarHBondContact O-N 2.9Å; E32-I35 PolarHBondContact O-N 3.35Å; E32-L36 WeakPolarHBondContact O-CG 3.48Å; E32-L36 PolarHBondContact O-N 3.39Å; E32-V54 HydrophobicContact CB-CG1 3.93Å; E32-V54 HydrophobicContact CB-CG2 4.14Å; E32-V54 HydrophobicContact CG-CG1 4.3Å; E32-V54 HydrophobicContact CG-CG2 4.04Å
33E91.8Very high89.2Confident124 Ų12458.4 Ų58.458%0.57928%0.282SS*.Hα-helixtrans-61.6-42.2174.5-72.5175.8179.500112.2K29 K30 Y31 L36 L37K29-E33 WeakPolarHBondContact O-CG 3.32Å; K29-E33 PolarHBondContact O-N 3.47Å; K30-E33 PolarHBondContact O-N 3.16Å; Y31-E33 VanDerWaalsContact C-N 3.31Å; Y31-E33 PolarHBondContact O-N 3.3Å; E33-L36 PolarHBondContact O-N 3.46Å; E33-L37 WeakPolarHBondContact O-CB 3.42Å; E33-L37 PolarHBondContact O-N 3.29Å
34Q90.2Very high89.4Confident51 Ų5154.6 Ų54.624%0.23827%0.266CS..Hα-helixtrans-69.2-37.3177.3-66.8-60.6-20.900112.5L3 W4 I7 L24 K30 Y31 L36 L37 H38L3-Q34 HydrophobicContact CD2-CB 4.25Å; L3-Q34 HydrophobicContact CD2-CG 4.03Å; W4-Q34 HydrophobicContact CZ3-CB 4.41Å; I7-Q34 HydrophobicContact CD1-CB 4.31Å; L24-Q34 HydrophobicContact CD2-CG 4.07Å; K30-Q34 VanDerWaalsContact O-CG 3.24Å; K30-Q34 WeakPolarHBondContact O-CG 3.44Å; K30-Q34 PolarHBondContact O-N 2.9Å; Y31-Q34 PolarHBondContact O-N 3.45Å; Y31-Q34 VanDerWaalsContact O-N 3.14Å; Q34-L36 VanDerWaalsContact C-N 3.34Å; Q34-L37 PolarHBondContact O-N 3.19Å; Q34-H38 WeakPolarHBondContact O-CB 3.42Å; Q34-H38 PolarHBondContact O-N 3.22Å
35I91.7Very high89.7Confident3 Ų357.6 Ų57.62%0.01528%0.276CS..Hα-helixtrans-57.7-49.4171-73.1163.6000109.6I7 Y31 E32 S39 I50 V51 V54I7-I35 HydrophobicContact CD1-CG1 4.31Å; I7-I35 HydrophobicContact CG1-CG1 4.11Å; I7-I35 HydrophobicContact CG2-CG1 4.46Å; Y31-I35 HydrophobicContact CD1-CD1 3.63Å; Y31-I35 HydrophobicContact CD1-CG1 4.41Å; Y31-I35 HydrophobicContact CD2-CG1 4.48Å; Y31-I35 HydrophobicContact CE1-CD1 3.47Å; Y31-I35 VanDerWaalsContact CE1-CD1 3.47Å; Y31-I35 HydrophobicContact CE1-CG1 4.19Å; Y31-I35 HydrophobicContact CE2-CD1 4.37Å; Y31-I35 HydrophobicContact CE2-CG1 4.22Å; Y31-I35 HydrophobicContact CG-CD1 4.17Å; Y31-I35 WeakPolarHBondContact O-CG1 3.46Å; Y31-I35 PolarHBondContact O-N 3.4Å; E32-I35 PolarHBondContact O-N 3.35Å; I35-S39 WeakPolarHBondContact O-CB 3.29Å; I35-S39 PolarHBondContact O-N 3.43Å; I35-S39 PolarHBondContact O-OG 3.41Å; I35-I50 HydrophobicContact CD1-CD1 4.04Å; I35-I50 HydrophobicContact CD1-CG1 4.13Å; I35-I50 HydrophobicContact CD1-CG2 4.24Å; I35-I50 HydrophobicContact CG1-CG2 4.11Å; I35-I50 HydrophobicContact CG2-CG2 3.82Å; I35-V51 HydrophobicContact CG2-CB 4.27Å; I35-V51 HydrophobicContact CG2-CG2 4.49Å; I35-V54 HydrophobicContact CB-CG2 4.4Å; I35-V54 HydrophobicContact CD1-CG2 4.14Å; I35-V54 HydrophobicContact CG2-CG2 4.05Å
36L92.5Very high90Very high26 Ų2653 Ų5314%0.13625%0.251CS..Hα-helixtrans-62.9-48.7-179.8-71.5175.6000111.4E32 E33 Q34 H38 S39 F40 V51 V54 I55E32-L36 WeakPolarHBondContact O-CG 3.48Å; E32-L36 PolarHBondContact O-N 3.39Å; E33-L36 PolarHBondContact O-N 3.46Å; Q34-L36 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 3.3Å; L36-S39 PolarHBondContact O-N 2.75Å; L36-F40 HydrophobicContact CB-CD2 4.4Å; L36-F40 HydrophobicContact CB-CE2 3.86Å; L36-F40 HydrophobicContact CB-CZ 4.21Å; L36-F40 HydrophobicContact CD2-CE1 4.47Å; L36-F40 HydrophobicContact CD2-CE2 4.39Å; L36-F40 HydrophobicContact CD2-CZ 3.89Å; L36-F40 WeakPolarHBondContact O-CB 3.42Å; L36-F40 WeakPolarHBondContact O-CD2 3.34Å; L36-F40 WeakPolarHBondContact O-CG 3.33Å; L36-F40 PolarHBondContact O-N 3.37Å; L36-V51 HydrophobicContact CD2-CG2 3.76Å; L36-V54 HydrophobicContact CD1-CG1 3.95Å; L36-V54 HydrophobicContact CD2-CG1 4.13Å; L36-V54 HydrophobicContact CG-CG1 3.98Å; L36-I55 HydrophobicContact CD2-CD1 3.43Å; L36-I55 VanDerWaalsContact CD2-CD1 3.43Å; L36-I55 HydrophobicContact CD2-CG1 3.96Å
37L91.1Very high90.1Very high69 Ų6950.8 Ų50.836%0.36124%0.241SC..Hα-helixtrans-59.2-47.5179.5-176.863.8000111.6E33 Q34 F40 R41 Y68E33-L37 WeakPolarHBondContact O-CB 3.42Å; E33-L37 PolarHBondContact O-N 3.29Å; Q34-L37 PolarHBondContact O-N 3.19Å; L37-F40 PolarHBondContact O-N 3Å; L37-R41 VanDerWaalsContact O-CB 3.24Å; L37-R41 WeakPolarHBondContact O-CB 3.41Å; L37-R41 PolarHBondContact O-N 2.73Å; L37-Y68 HydrophobicContact CD1-CE2 3.92Å; L37-Y68 WeakPolarHBondContact CD1-OH 3.42Å
38H89.2Confident90Very high14 Ų1450.6 Ų50.67%0.06525%0.252CS..Hα-helixtrans-62.2-44.5176.6-177.5101.3000111.2W4 I7 E8 Q34 L36 F40 R41 N42W4-H38 HydrophobicContact CE3-CB 4.19Å; W4-H38 AromaticContact CE3-ND1 3.55Å; W4-H38 HydrophobicContact CZ3-CB 4.15Å; I7-H38 HydrophobicContact CD1-CB 4.19Å; I7-H38 HydrophobicContact CG2-CB 4.29Å; E8-H38 IonicContact OE1-CE1 2.91Å; Q34-H38 WeakPolarHBondContact O-CB 3.42Å; Q34-H38 PolarHBondContact O-N 3.22Å; L36-H38 PolarHBondContact O-N 3.3Å; H38-F40 VanDerWaalsContact C-N 3.34Å; H38-F40 PolarHBondContact O-N 3.14Å; H38-R41 PolarHBondContact O-N 3.06Å; H38-N42 PolarHBondContact CD2-ND2 2.86Å; H38-N42 PolarHBondContact CE1-ND2 3.11Å; H38-N42 PolarHBondContact ND1-ND2 3.22Å; H38-N42 PolarHBondContact NE2-ND2 3.35Å; H38-N42 WeakPolarHBondContact O-CB 3.5Å; H38-N42 PolarHBondContact O-N 2.73Å; H38-N42 PolarHBondContact O-ND2 3.42Å
39S91.8Very high90.1Very high1 Ų149.7 Ų49.71%0.00724%0.244CC..Hα-helixtrans-64.5-37.6180-59.90000112.5I35 L36 Q43 L44I35-S39 WeakPolarHBondContact O-CB 3.29Å; I35-S39 PolarHBondContact O-N 3.43Å; I35-S39 PolarHBondContact O-OG 3.41Å; L36-S39 PolarHBondContact O-N 2.75Å; S39-Q43 WeakPolarHBondContact O-CA 3.45Å; S39-Q43 PolarHBondContact O-N 3.24Å; S39-L44 PolarHBondContact O-N 2.78Å
40F92.2Very high90.1Very high20 Ų2043.9 Ų43.99%0.08822%0.219CC..Hα-helixtrans-74.6-45.3177.5-59-33.6000111.8L36 L37 H38 N42 Q43 Y61 K64 L65 Y68L36-F40 HydrophobicContact CB-CD2 4.4Å; L36-F40 HydrophobicContact CB-CE2 3.86Å; L36-F40 HydrophobicContact CB-CZ 4.21Å; L36-F40 HydrophobicContact CD2-CE1 4.47Å; L36-F40 HydrophobicContact CD2-CE2 4.39Å; L36-F40 HydrophobicContact CD2-CZ 3.89Å; L36-F40 WeakPolarHBondContact O-CB 3.42Å; L36-F40 WeakPolarHBondContact O-CD2 3.34Å; L36-F40 WeakPolarHBondContact O-CG 3.33Å; L36-F40 PolarHBondContact O-N 3.37Å; L37-F40 PolarHBondContact O-N 3Å; H38-F40 VanDerWaalsContact C-N 3.34Å; H38-F40 PolarHBondContact O-N 3.14Å; F40-N42 VanDerWaalsContact C-N 3.3Å; F40-N42 PolarHBondContact O-N 3.28Å; F40-Q43 PolarHBondContact O-N 3.45Å; F40-Q43 VanDerWaalsContact O-N 3.08Å; F40-Y61 AromaticContact CD1-CE2 3.92Å; F40-Y61 HydrophobicContact CD1-CE2 3.92Å; F40-Y61 AromaticContact CE1-CD2 3.78Å; F40-Y61 HydrophobicContact CE1-CD2 3.78Å; F40-Y61 AromaticContact CE1-CE2 3.52Å; F40-Y61 HydrophobicContact CE1-CE2 3.52Å; F40-K64 HydrophobicContact CE1-CB 4.01Å; F40-K64 HydrophobicContact CE2-CB 4.47Å; F40-K64 HydrophobicContact CZ-CB 3.67Å; F40-K64 HydrophobicContact CZ-CD 4.2Å; F40-L65 HydrophobicContact CD1-CB 3.92Å; F40-L65 HydrophobicContact CD1-CG 4.33Å; F40-L65 HydrophobicContact CE1-CB 4.22Å; F40-Y68 HydrophobicContact CB-CD1 3.42Å; F40-Y68 VanDerWaalsContact CB-CD1 3.42Å; F40-Y68 HydrophobicContact CB-CD2 4.21Å; F40-Y68 HydrophobicContact CB-CE1 3.81Å; F40-Y68 HydrophobicContact CB-CG 3.64Å; F40-Y68 HydrophobicContact CD2-CD2 4.06Å; F40-Y68 HydrophobicContact CD2-CG 4.07Å; F40-Y68 HydrophobicContact CG-CD1 4.37Å; F40-Y68 HydrophobicContact CG-CG 4.12Å
41R88Confident90.1Very high106 Ų10640.4 Ų40.440%0.420%0.204SC..Hα-helixtrans-60.6-39.7178.8-170.8178.5-178.9-173-4.1112.2L37 H38 I268L37-R41 VanDerWaalsContact O-CB 3.24Å; L37-R41 WeakPolarHBondContact O-CB 3.41Å; L37-R41 PolarHBondContact O-N 2.73Å; H38-R41 PolarHBondContact O-N 3.06Å; R41-I268 HydrophobicContact CG-CD1 3.98Å; R41-I268 VanDerWaalsContact CZ-CD1 3.48Å
42N87.9Confident90.1Very high37 Ų3744 Ų4420%0.19822%0.222CC..THydrogen-bonded Turntrans-91.42.3177.2-66.4-48.7000113.6H38 F40 L44H38-N42 PolarHBondContact CD2-ND2 2.86Å; H38-N42 PolarHBondContact CE1-ND2 3.11Å; H38-N42 PolarHBondContact ND1-ND2 3.22Å; H38-N42 PolarHBondContact NE2-ND2 3.35Å; H38-N42 WeakPolarHBondContact O-CB 3.5Å; H38-N42 PolarHBondContact O-N 2.73Å; H38-N42 PolarHBondContact O-ND2 3.42Å; F40-N42 VanDerWaalsContact C-N 3.3Å; F40-N42 PolarHBondContact O-N 3.28Å; N42-L44 VanDerWaalsContact C-N 3.31Å; N42-L44 HydrophobicContact CB-CD2 3.8Å; N42-L44 HydrophobicContact CB-CG 4Å; N42-L44 PolarHBondContact O-N 3.44Å
43Q91.3Very high89.9Confident5 Ų543.7 Ų43.72%0.02323%0.229CC..THydrogen-bonded Turntrans49.148.6179.4-56.4176.5-17.100112.7S39 F40 L75 P77 H79S39-Q43 WeakPolarHBondContact O-CA 3.45Å; S39-Q43 PolarHBondContact O-N 3.24Å; F40-Q43 PolarHBondContact O-N 3.45Å; F40-Q43 VanDerWaalsContact O-N 3.08Å; Q43-L75 PolarHBondContact NE2-O 2.89Å; Q43-P77 HydrophobicContact CB-CB 4.23Å; Q43-P77 HydrophobicContact CG-CB 4.37Å; Q43-H79 PolarHBondContact O-CE1 3.37Å; Q43-H79 VanDerWaalsContact O-CE1 3.27Å; Q43-H79 PolarHBondContact O-NE2 2.81Å
44L90.4Very high89.7Confident41 Ų4139.3 Ų39.322%0.21521%0.211CC..  trans-69.1155.9-174-59.6-176.2000112.3S39 N42 Y61S39-L44 PolarHBondContact O-N 2.78Å; N42-L44 VanDerWaalsContact C-N 3.31Å; N42-L44 HydrophobicContact CB-CD2 3.8Å; N42-L44 HydrophobicContact CB-CG 4Å; N42-L44 PolarHBondContact O-N 3.44Å; L44-Y61 PolarHBondContact O-OH 3.44Å
45R91.5Very high89.7Confident73 Ų7337.6 Ų37.628%0.27520%0.203SC..  trans-71.7145.9169.9-83.4-175.1174.8-102.8-10.3109.8N49 H79 L80 D82R45-N49 WeakPolarHBondContact O-CB 3.38Å; R45-N49 PolarHBondContact O-ND2 2.88Å; R45-H79 PolarHBondContact NH2-O 2.94Å; R45-L80 HydrophobicContact CB-CD2 4.27Å; R45-L80 HydrophobicContact CG-CD2 3.27Å; R45-D82 IonicContact CZ-OD1 2.75Å; R45-D82 IonicContact CZ-OD2 2.66Å; R45-D82 IonicContact NH1-OD1 2.78Å; R45-D82 IonicContact NH1-OD2 2.91Å; R45-D82 PolarHBondContact NH1-OD2 3.26Å; R45-D82 IonicContact NH2-OD1 3.46Å; R45-D82 PolarHBondContact NH2-OD1 3.02Å; R45-D82 IonicContact NH2-OD2 3.08Å; R45-D82 PolarHBondContact NH2-OD2 2.81Å
46Y90.9Very high89.6Confident20 Ų2046.4 Ų46.48%0.07824%0.241CC..SBendtrans-61.9-48.6173.5-177.7-104.9000111.4V51 Q52 I55 K56 E58 Y61 Y62Y46-V51 HydrophobicContact CD2-CG1 4.03Å; Y46-Q52 HydrophobicContact CD1-CG 4.05Å; Y46-Q52 HydrophobicContact CD2-CG 4.28Å; Y46-Q52 HydrophobicContact CE1-CB 4.46Å; Y46-Q52 HydrophobicContact CE1-CG 3.74Å; Y46-Q52 HydrophobicContact CE2-CB 4.33Å; Y46-Q52 HydrophobicContact CE2-CG 3.97Å; Y46-Q52 HydrophobicContact CG-CG 4.31Å; Y46-Q52 WeakPolarHBondContact O-CG 3.34Å; Y46-Q52 PolarHBondContact O-NE2 3.38Å; Y46-I55 WeakPolarHBondContact CE2-O 3.5Å; Y46-I55 VanDerWaalsContact CZ-O 3.32Å; Y46-I55 PolarHBondContact OH-O 2.99Å; Y46-K56 PolarHBondContact OH-O 2.95Å; Y46-E58 HydrophobicContact CD1-CB 3.62Å; Y46-E58 HydrophobicContact CD1-CG 3.63Å; Y46-E58 HydrophobicContact CE1-CB 3.77Å; Y46-E58 HydrophobicContact CE1-CG 4.3Å; Y46-E58 HydrophobicContact CG-CB 4.03Å; Y46-E58 HydrophobicContact CG-CG 3.79Å; Y46-Y61 AromaticContact CD2-CD1 3.84Å; Y46-Y61 HydrophobicContact CD2-CD1 3.84Å; Y46-Y61 AromaticContact CD2-CG 3.86Å; Y46-Y61 HydrophobicContact CD2-CG 3.86Å; Y46-Y61 HydrophobicContact CG-CD1 4.3Å; Y46-Y62 WeakPolarHBondContact CB-OH 3.38Å; Y46-Y62 PolarHBondContact N-OH 2.99Å
47T87.2Confident89.6Confident55 Ų5554.3 Ų54.334%0.33727%0.269SS..THydrogen-bonded Turntrans-71.5131.2-179.1-48.10000111.5N49T47-N49 VanDerWaalsContact C-N 3.33Å
48G85.6Confident89.6Confident52 Ų5254 Ų5454%0.53627%0.266SS..THydrogen-bonded Turntrans84.5-0.4178.200000115.1N10N10-G48 PolarHBondContact ND2-O 3.26Å
49N88.9Confident89.8Confident37 Ų3759.2 Ų59.220%0.19829%0.288CS..SBendtrans-115.1152.4177.4-70.4-73.3000111.9N10 R45 T47 V51 Q52N10-N49 VanDerWaalsContact OD1-CA 3.32Å; N10-N49 WeakPolarHBondContact OD1-CA 3.41Å; R45-N49 WeakPolarHBondContact O-CB 3.38Å; R45-N49 PolarHBondContact O-ND2 2.88Å; T47-N49 VanDerWaalsContact C-N 3.33Å; N49-V51 HydrophobicContact CB-CG1 4.27Å; N49-V51 PolarHBondContact O-N 3.21Å; N49-Q52 WeakPolarHBondContact O-CG 3.5Å; N49-Q52 PolarHBondContact O-N 3.12Å
50I89Confident89.9Confident19 Ų1964.3 Ų64.310%0.09731%0.31CS..THydrogen-bonded Turntrans-60.7-16.8-177.2-172.1163.4000114I7 N10 L11 Y31 I35 Q52 S53I7-I50 HydrophobicContact CG2-CG2 4.18Å; N10-I50 HydrophobicContact CB-CB 4.24Å; N10-I50 PolarHBondContact OD1-N 3.17Å; L11-I50 VanDerWaalsContact C-CD1 3.49Å; L11-I50 WeakPolarHBondContact O-CD1 3.37Å; Y31-I50 HydrophobicContact CE1-CD1 4.3Å; I35-I50 HydrophobicContact CD1-CD1 4.04Å; I35-I50 HydrophobicContact CD1-CG1 4.13Å; I35-I50 HydrophobicContact CD1-CG2 4.24Å; I35-I50 HydrophobicContact CG1-CG2 4.11Å; I35-I50 HydrophobicContact CG2-CG2 3.82Å; I50-Q52 PolarHBondContact O-N 3.5Å; I50-S53 WeakPolarHBondContact O-CB 3.27Å; I50-S53 PolarHBondContact O-N 2.74Å; I50-S53 PolarHBondContact O-OG 2.84Å
51V90Very high90Very high0 Ų063.4 Ų63.40%031%0.306CS..Hα-helixtrans-57.1-21.6177.573.80000113.8I35 L36 Y46 N49 S53 V54 I55 Y61I35-V51 HydrophobicContact CG2-CB 4.27Å; I35-V51 HydrophobicContact CG2-CG2 4.49Å; L36-V51 HydrophobicContact CD2-CG2 3.76Å; Y46-V51 HydrophobicContact CD2-CG1 4.03Å; N49-V51 HydrophobicContact CB-CG1 4.27Å; N49-V51 PolarHBondContact O-N 3.21Å; V51-S53 PolarHBondContact O-N 3.14Å; V51-V54 PolarHBondContact O-N 2.97Å; V51-V54 VanDerWaalsContact O-N 3.11Å; V51-I55 PolarHBondContact O-N 2.76Å; V51-Y61 HydrophobicContact CB-CE2 4.27Å; V51-Y61 HydrophobicContact CG1-CD2 4.31Å; V51-Y61 HydrophobicContact CG1-CE2 4.01Å; V51-Y61 HydrophobicContact CG2-CD2 3.59Å; V51-Y61 HydrophobicContact CG2-CE2 3.49Å; V51-Y61 VanDerWaalsContact CG2-CE2 3.49Å
52Q89.4Confident90.4Very high82 Ų8258.6 Ų58.638%0.38329%0.288SS..Hα-helixtrans-58.9-32.9172.3-61-174-37.300113.2Y46 N49 I50 V54Y46-Q52 HydrophobicContact CD1-CG 4.05Å; Y46-Q52 HydrophobicContact CD2-CG 4.28Å; Y46-Q52 HydrophobicContact CE1-CB 4.46Å; Y46-Q52 HydrophobicContact CE1-CG 3.74Å; Y46-Q52 HydrophobicContact CE2-CB 4.33Å; Y46-Q52 HydrophobicContact CE2-CG 3.97Å; Y46-Q52 HydrophobicContact CG-CG 4.31Å; Y46-Q52 WeakPolarHBondContact O-CG 3.34Å; Y46-Q52 PolarHBondContact O-NE2 3.38Å; N49-Q52 WeakPolarHBondContact O-CG 3.5Å; N49-Q52 PolarHBondContact O-N 3.12Å; I50-Q52 PolarHBondContact O-N 3.5Å; Q52-V54 VanDerWaalsContact C-N 3.3Å; Q52-V54 PolarHBondContact O-N 3.2Å
53S86.4Confident90.8Very high83 Ų8360.7 Ų60.758%0.5830%0.297SS*.Hα-helixtrans-68.8-31.5177.668.40000112.1I50 V51I50-S53 WeakPolarHBondContact O-CB 3.27Å; I50-S53 PolarHBondContact O-N 2.74Å; I50-S53 PolarHBondContact O-OG 2.84Å; V51-S53 PolarHBondContact O-N 3.14Å
54V88.2Confident91Very high31 Ų3164.8 Ų64.819%0.18831%0.314CS..Hα-helixtrans-87.9-48.4-176.5-172.30000111.4E32 I35 L36 V51 Q52E32-V54 HydrophobicContact CB-CG1 3.93Å; E32-V54 HydrophobicContact CB-CG2 4.14Å; E32-V54 HydrophobicContact CG-CG1 4.3Å; E32-V54 HydrophobicContact CG-CG2 4.04Å; I35-V54 HydrophobicContact CB-CG2 4.4Å; I35-V54 HydrophobicContact CD1-CG2 4.14Å; I35-V54 HydrophobicContact CG2-CG2 4.05Å; L36-V54 HydrophobicContact CD1-CG1 3.95Å; L36-V54 HydrophobicContact CD2-CG1 4.13Å; L36-V54 HydrophobicContact CG-CG1 3.98Å; V51-V54 PolarHBondContact O-N 2.97Å; V51-V54 VanDerWaalsContact O-N 3.11Å; Q52-V54 VanDerWaalsContact C-N 3.3Å; Q52-V54 PolarHBondContact O-N 3.2Å
55I89.9Confident91.2Very high16 Ų1663 Ų638%0.08231%0.305CS..  trans-112.5109.2179.4-64175.9000109L36 Y46 V51 R57 K60 Y61 K64L36-I55 HydrophobicContact CD2-CD1 3.43Å; L36-I55 VanDerWaalsContact CD2-CD1 3.43Å; L36-I55 HydrophobicContact CD2-CG1 3.96Å; Y46-I55 WeakPolarHBondContact CE2-O 3.5Å; Y46-I55 VanDerWaalsContact CZ-O 3.32Å; Y46-I55 PolarHBondContact OH-O 2.99Å; V51-I55 PolarHBondContact O-N 2.76Å; I55-R57 VanDerWaalsContact C-N 3.31Å; I55-R57 WeakPolarHBondContact CG2-O 3.24Å; I55-R57 PolarHBondContact O-N 3.17Å; I55-K60 HydrophobicContact CG2-CB 4.38Å; I55-Y61 HydrophobicContact CD1-CD2 4.16Å; I55-K64 HydrophobicContact CD1-CD 3.97Å
56K90.6Very high91.4Very high187 Ų18759.8 Ų59.881%0.81329%0.294SS*.SBendtrans-71-20.8-178.9-61.6-174.3179.6-176.20115Y46Y46-K56 PolarHBondContact OH-O 2.95Å
57R91.9Very high91.6Very high193 Ų19362 Ų6273%0.72831%0.307SS*.  trans-108.7111.8-176.1-68.1-175.5-177.6173.60.5109.9I55 K59 K60 Y61I55-R57 VanDerWaalsContact C-N 3.31Å; I55-R57 WeakPolarHBondContact CG2-O 3.24Å; I55-R57 PolarHBondContact O-N 3.17Å; R57-K59 PolarHBondContact O-N 2.93Å; R57-K60 HydrophobicContact CB-CB 3.97Å; R57-K60 WeakPolarHBondContact O-CB 3.37Å; R57-K60 PolarHBondContact O-N 3.18Å; R57-K60 VanDerWaalsContact O-N 3.11Å; R57-Y61 PolarHBondContact O-N 2.87Å; R57-Y61 VanDerWaalsContact O-N 3.16Å
58E91.6Very high92Very high62 Ų6261.2 Ų61.229%0.2930%0.298SS..Hα-helixtrans-53-48.8179.2-179.6174.4-167.600112.4Y46 K60 Y61 Y62 K83Y46-E58 HydrophobicContact CD1-CB 3.62Å; Y46-E58 HydrophobicContact CD1-CG 3.63Å; Y46-E58 HydrophobicContact CE1-CB 3.77Å; Y46-E58 HydrophobicContact CE1-CG 4.3Å; Y46-E58 HydrophobicContact CG-CB 4.03Å; Y46-E58 HydrophobicContact CG-CG 3.79Å; E58-K60 VanDerWaalsContact C-N 3.29Å; E58-K60 PolarHBondContact O-N 2.98Å; E58-Y61 WeakPolarHBondContact O-CB 3.48Å; E58-Y61 PolarHBondContact O-N 2.62Å; E58-Y62 HydrophobicContact CG-CD2 3.83Å; E58-Y62 HydrophobicContact CG-CE2 3.37Å; E58-Y62 WeakPolarHBondContact O-CD2 3.24Å; E58-Y62 PolarHBondContact O-N 3.48Å; E58-Y62 VanDerWaalsContact O-N 3.16Å; E58-Y62 WeakPolarHBondContact OE1-CE2 3.17Å; E58-K83 IonicContact OE1-NZ 2.76Å
59K92.4Very high92.3Very high123 Ų12358.8 Ų58.854%0.53527%0.273SS..Hα-helixtrans-54.6-44.4178.2-175.5172.9174.9161.40112.5R57 Y61 Y62 E63 G87 L88R57-K59 PolarHBondContact O-N 2.93Å; K59-Y61 VanDerWaalsContact C-N 3.3Å; K59-Y61 PolarHBondContact O-N 2.91Å; K59-Y62 PolarHBondContact O-N 2.99Å; K59-E63 VanDerWaalsContact CE-OE1 3.28Å; K59-E63 WeakPolarHBondContact CE-OE1 3.46Å; K59-E63 WeakPolarHBondContact O-CG 3.3Å; K59-E63 PolarHBondContact O-N 3.33Å; K59-G87 WeakPolarHBondContact CE-O 3.46Å; K59-G87 PolarHBondContact NZ-O 3.43Å; K59-L88 HydrophobicContact CD-CD2 4.38Å; K59-L88 HydrophobicContact CG-CD2 3.67Å
60K93.8Very high92.6Very high109 Ų10959.4 Ų59.447%0.47427%0.273SS..Hα-helixtrans-67-30.9179.5-172.3174.8-177.7176.70112.5I55 R57 E58 K64I55-K60 HydrophobicContact CG2-CB 4.38Å; R57-K60 HydrophobicContact CB-CB 3.97Å; R57-K60 WeakPolarHBondContact O-CB 3.37Å; R57-K60 PolarHBondContact O-N 3.18Å; R57-K60 VanDerWaalsContact O-N 3.11Å; E58-K60 VanDerWaalsContact C-N 3.29Å; E58-K60 PolarHBondContact O-N 2.98Å; K60-K64 WeakPolarHBondContact O-CG 3.49Å; K60-K64 PolarHBondContact O-N 3.11Å
61Y95.5Very high92.7Very high0 Ų064.5 Ų64.50%030%0.296CS..Hα-helixtrans-65.5-49.4174.2166.3-104.9000110.7F40 L44 Y46 V51 I55 R57 E58 K59 E63 K64 L65F40-Y61 AromaticContact CD1-CE2 3.92Å; F40-Y61 HydrophobicContact CD1-CE2 3.92Å; F40-Y61 AromaticContact CE1-CD2 3.78Å; F40-Y61 HydrophobicContact CE1-CD2 3.78Å; F40-Y61 AromaticContact CE1-CE2 3.52Å; F40-Y61 HydrophobicContact CE1-CE2 3.52Å; L44-Y61 PolarHBondContact O-OH 3.44Å; Y46-Y61 AromaticContact CD2-CD1 3.84Å; Y46-Y61 HydrophobicContact CD2-CD1 3.84Å; Y46-Y61 AromaticContact CD2-CG 3.86Å; Y46-Y61 HydrophobicContact CD2-CG 3.86Å; Y46-Y61 HydrophobicContact CG-CD1 4.3Å; V51-Y61 HydrophobicContact CB-CE2 4.27Å; V51-Y61 HydrophobicContact CG1-CD2 4.31Å; V51-Y61 HydrophobicContact CG1-CE2 4.01Å; V51-Y61 HydrophobicContact CG2-CD2 3.59Å; V51-Y61 HydrophobicContact CG2-CE2 3.49Å; V51-Y61 VanDerWaalsContact CG2-CE2 3.49Å; I55-Y61 HydrophobicContact CD1-CD2 4.16Å; R57-Y61 PolarHBondContact O-N 2.87Å; R57-Y61 VanDerWaalsContact O-N 3.16Å; E58-Y61 WeakPolarHBondContact O-CB 3.48Å; E58-Y61 PolarHBondContact O-N 2.62Å; K59-Y61 VanDerWaalsContact C-N 3.3Å; K59-Y61 PolarHBondContact O-N 2.91Å; Y61-E63 VanDerWaalsContact C-N 3.34Å; Y61-E63 PolarHBondContact O-N 3.46Å; Y61-K64 PolarHBondContact O-N 3.36Å; Y61-L65 HydrophobicContact CE1-CD1 3.92Å; Y61-L65 WeakPolarHBondContact O-CB 3.35Å; Y61-L65 PolarHBondContact O-N 3.41Å; Y61-L65 WeakPolarHBondContact OH-CD1 3.47Å
62Y96Very high92.7Very high6 Ų669.2 Ų69.22%0.02432%0.318CS..Hα-helixtrans-67.5-33.3179.6-65.8-58000113Y46 E58 K59 L65 V66 L80 K83Y46-Y62 WeakPolarHBondContact CB-OH 3.38Å; Y46-Y62 PolarHBondContact N-OH 2.99Å; E58-Y62 HydrophobicContact CG-CD2 3.83Å; E58-Y62 HydrophobicContact CG-CE2 3.37Å; E58-Y62 WeakPolarHBondContact O-CD2 3.24Å; E58-Y62 PolarHBondContact O-N 3.48Å; E58-Y62 VanDerWaalsContact O-N 3.16Å; E58-Y62 WeakPolarHBondContact OE1-CE2 3.17Å; K59-Y62 PolarHBondContact O-N 2.99Å; Y62-L65 HydrophobicContact CD1-CD1 4.49Å; Y62-L65 PolarHBondContact O-N 2.93Å; Y62-V66 WeakPolarHBondContact O-CB 3.19Å; Y62-V66 VanDerWaalsContact O-CG2 3.31Å; Y62-V66 WeakPolarHBondContact O-CG2 3.49Å; Y62-V66 PolarHBondContact O-N 2.7Å; Y62-L80 HydrophobicContact CD1-CD1 4.34Å; Y62-L80 HydrophobicContact CE1-CD1 4.04Å; Y62-L80 HydrophobicContact CE1-CD2 4.35Å; Y62-K83 HydrophobicContact CD2-CB 3.95Å; Y62-K83 HydrophobicContact CE1-CB 4.42Å; Y62-K83 HydrophobicContact CE2-CB 3.59Å; Y62-K83 HydrophobicContact CE2-CD 4.34Å; Y62-K83 HydrophobicContact CE2-CG 3.79Å; Y62-K83 HydrophobicContact CG-CB 4.48Å
63E95.5Very high92.8Very high81 Ų8166.6 Ų66.638%0.37931%0.305SS..Hα-helixtrans-55.1-51.9170-74167.1179.600110.6K59 Y61 L65 V66 D67 L88K59-E63 VanDerWaalsContact CE-OE1 3.28Å; K59-E63 WeakPolarHBondContact CE-OE1 3.46Å; K59-E63 WeakPolarHBondContact O-CG 3.3Å; K59-E63 PolarHBondContact O-N 3.33Å; Y61-E63 VanDerWaalsContact C-N 3.34Å; Y61-E63 PolarHBondContact O-N 3.46Å; E63-L65 PolarHBondContact O-N 2.96Å; E63-V66 PolarHBondContact O-N 2.79Å; E63-D67 PolarHBondContact O-N 3.04Å; E63-L88 HydrophobicContact CG-CD1 4.31Å; E63-L88 HydrophobicContact CG-CD2 3.53Å
64K95.5Very high93.1Very high90 Ų9063.1 Ų63.139%0.39128%0.28SS..Hα-helixtrans-63.6-38.4177.6-74.1-172.1170.4-164.40113.3F40 I55 K60 Y61 D67 Y68F40-K64 HydrophobicContact CE1-CB 4.01Å; F40-K64 HydrophobicContact CE2-CB 4.47Å; F40-K64 HydrophobicContact CZ-CB 3.67Å; F40-K64 HydrophobicContact CZ-CD 4.2Å; I55-K64 HydrophobicContact CD1-CD 3.97Å; K60-K64 WeakPolarHBondContact O-CG 3.49Å; K60-K64 PolarHBondContact O-N 3.11Å; Y61-K64 PolarHBondContact O-N 3.36Å; K64-D67 PolarHBondContact O-N 3.46Å; K64-Y68 VanDerWaalsContact O-CB 3.26Å; K64-Y68 WeakPolarHBondContact O-CB 3.35Å; K64-Y68 PolarHBondContact O-N 3.32Å
65L95.3Very high93.3Very high3 Ų362.2 Ų62.22%0.01627%0.274CS..Hα-helixtrans-63.6-44.6178.3-177.8154.1000110.8F40 Y61 Y62 E63 Y68 G69 P77 L80F40-L65 HydrophobicContact CD1-CB 3.92Å; F40-L65 HydrophobicContact CD1-CG 4.33Å; F40-L65 HydrophobicContact CE1-CB 4.22Å; Y61-L65 HydrophobicContact CE1-CD1 3.92Å; Y61-L65 WeakPolarHBondContact O-CB 3.35Å; Y61-L65 PolarHBondContact O-N 3.41Å; Y61-L65 WeakPolarHBondContact OH-CD1 3.47Å; Y62-L65 HydrophobicContact CD1-CD1 4.49Å; Y62-L65 PolarHBondContact O-N 2.93Å; E63-L65 PolarHBondContact O-N 2.96Å; L65-Y68 PolarHBondContact O-N 3.22Å; L65-G69 PolarHBondContact O-N 3.06Å; L65-P77 HydrophobicContact CD2-CB 4.49Å; L65-P77 HydrophobicContact CD2-CG 4.01Å; L65-L80 HydrophobicContact CD1-CD1 3.83Å; L65-L80 HydrophobicContact CD2-CD1 4.12Å
66V95.7Very high93.6Very high6 Ų661.5 Ų61.54%0.03627%0.27CS..Hα-helixtrans-65.5-43.6177.51700000110.9Y62 E63 G69 R70 I84 L88 I90 Y95Y62-V66 WeakPolarHBondContact O-CB 3.19Å; Y62-V66 VanDerWaalsContact O-CG2 3.31Å; Y62-V66 WeakPolarHBondContact O-CG2 3.49Å; Y62-V66 PolarHBondContact O-N 2.7Å; E63-V66 PolarHBondContact O-N 2.79Å; V66-G69 PolarHBondContact O-N 3.05Å; V66-R70 WeakPolarHBondContact O-CB 3.26Å; V66-R70 PolarHBondContact O-N 2.73Å; V66-I84 HydrophobicContact CG2-CD1 3.94Å; V66-I84 HydrophobicContact CG2-CG1 4.14Å; V66-I84 HydrophobicContact CG2-CG2 4.03Å; V66-L88 HydrophobicContact CG2-CD1 4.08Å; V66-I90 HydrophobicContact CG1-CD1 3.88Å; V66-Y95 HydrophobicContact CG1-CD2 3.82Å; V66-Y95 HydrophobicContact CG1-CE2 4Å
67D95.6Very high93.8Very high66 Ų6652.6 Ų52.635%0.35323%0.232SC..Hα-helixtrans-63.7-43.6176.7-78.8-33.2000112.2E63 K64 R70 Q71E63-D67 PolarHBondContact O-N 3.04Å; K64-D67 PolarHBondContact O-N 3.46Å; D67-R70 PolarHBondContact O-N 3.22Å; D67-R70 IonicContact OD1-CZ 3.72Å; D67-R70 IonicContact OD1-NE 3.72Å; D67-R70 IonicContact OD1-NH2 3.59Å; D67-R70 PolarHBondContact OD1-NH2 3.18Å; D67-Q71 WeakPolarHBondContact O-CB 3.46Å; D67-Q71 VanDerWaalsContact O-CG 3.27Å; D67-Q71 WeakPolarHBondContact O-CG 3.3Å; D67-Q71 PolarHBondContact O-N 2.93Å
68Y94.7Very high93.9Very high39 Ų3944.1 Ų44.115%0.15320%0.199CC..Hα-helixtrans-59.9-49.2174.4-179.5-89.4000111.2L37 F40 K64 L65 R70 Q71 H72 L74L37-Y68 HydrophobicContact CD1-CE2 3.92Å; L37-Y68 WeakPolarHBondContact CD1-OH 3.42Å; F40-Y68 HydrophobicContact CB-CD1 3.42Å; F40-Y68 VanDerWaalsContact CB-CD1 3.42Å; F40-Y68 HydrophobicContact CB-CD2 4.21Å; F40-Y68 HydrophobicContact CB-CE1 3.81Å; F40-Y68 HydrophobicContact CB-CG 3.64Å; F40-Y68 HydrophobicContact CD2-CD2 4.06Å; F40-Y68 HydrophobicContact CD2-CG 4.07Å; F40-Y68 HydrophobicContact CG-CD1 4.37Å; F40-Y68 HydrophobicContact CG-CG 4.12Å; K64-Y68 VanDerWaalsContact O-CB 3.26Å; K64-Y68 WeakPolarHBondContact O-CB 3.35Å; K64-Y68 PolarHBondContact O-N 3.32Å; L65-Y68 PolarHBondContact O-N 3.22Å; Y68-R70 VanDerWaalsContact C-N 3.28Å; Y68-R70 PolarHBondContact O-N 3.28Å; Y68-Q71 PolarHBondContact O-N 3.08Å; Y68-H72 AromaticContact CD2-CD2 3.56Å; Y68-H72 AromaticContact CD2-NE2 3.79Å; Y68-H72 AromaticContact CE1-CD2 3.84Å; Y68-H72 AromaticContact CE2-CD2 3.3Å; Y68-H72 WeakPolarHBondContact CE2-CD2 3.23Å; Y68-H72 AromaticContact CE2-NE2 3.25Å; Y68-H72 WeakPolarHBondContact CE2-NE2 3.38Å; Y68-H72 AromaticContact CG-CD2 3.93Å; Y68-H72 AromaticContact CZ-CD2 3.45Å; Y68-H72 VanDerWaalsContact CZ-CD2 3.45Å; Y68-H72 AromaticContact CZ-NE2 3.66Å; Y68-H72 WeakPolarHBondContact O-CB 3.39Å; Y68-H72 PolarHBondContact O-CD2 2.74Å; Y68-H72 VanDerWaalsContact O-CD2 3.32Å; Y68-H72 PolarHBondContact O-N 2.82Å; Y68-L74 HydrophobicContact CD1-CD1 4.16Å; Y68-L74 HydrophobicContact CE1-CD1 4Å
69G93Very high93.8Very high2 Ų242.9 Ų42.92%0.02119%0.194CC..Hα-helixtrans-56.9-42.9178.400000112.3L65 V66 H72 Y73 L74 Y95L65-G69 PolarHBondContact O-N 3.06Å; V66-G69 PolarHBondContact O-N 3.05Å; G69-H72 CarbonylContact O-C 3.51Å; G69-H72 PolarHBondContact O-N 3.1Å; G69-Y73 PolarHBondContact O-N 2.96Å; G69-L74 PolarHBondContact O-N 2.88Å; G69-Y95 WeakPolarHBondContact CA-OH 3.19Å; G69-Y95 PolarHBondContact O-OH 3.1Å
70R93.6Very high93.9Very high50 Ų5037 Ų3719%0.18917%0.168CC..Hα-helixtrans-66.4-46178.1-177.9172.656.2127.6-4.8112.6V66 D67 Y68 H72 Y73 Y95 M99 D102V66-R70 WeakPolarHBondContact O-CB 3.26Å; V66-R70 PolarHBondContact O-N 2.73Å; D67-R70 PolarHBondContact O-N 3.22Å; D67-R70 IonicContact OD1-CZ 3.72Å; D67-R70 IonicContact OD1-NE 3.72Å; D67-R70 IonicContact OD1-NH2 3.59Å; D67-R70 PolarHBondContact OD1-NH2 3.18Å; Y68-R70 VanDerWaalsContact C-N 3.28Å; Y68-R70 PolarHBondContact O-N 3.28Å; R70-H72 PolarHBondContact O-N 2.93Å; R70-Y73 PolarHBondContact O-N 2.98Å; R70-Y95 HydrophobicContact CB-CE2 4.11Å; R70-Y95 PolarHBondContact N-OH 2.98Å; R70-M99 HydrophobicContact CG-CB 4.09Å; R70-M99 HydrophobicContact CG-CG 4.44Å; R70-D102 WeakPolarHBondContact CD-OD2 3.27Å; R70-D102 WeakPolarHBondContact CG-OD2 3.44Å; R70-D102 IonicContact CZ-OD2 2.93Å; R70-D102 IonicContact NE-OD2 3.99Å; R70-D102 IonicContact NH1-OD1 3.19Å; R70-D102 PolarHBondContact NH1-OD1 3.38Å; R70-D102 IonicContact NH1-OD2 3.89Å; R70-D102 PolarHBondContact NH1-OD2 3.31Å
71Q91.6Very high93.8Very high126 Ų12632 Ų3259%0.58915%0.146SC*.Hα-helixtrans-63.3-30.4178.9-72.9173.5500112.7D67 Y68D67-Q71 WeakPolarHBondContact O-CB 3.46Å; D67-Q71 VanDerWaalsContact O-CG 3.27Å; D67-Q71 WeakPolarHBondContact O-CG 3.3Å; D67-Q71 PolarHBondContact O-N 2.93Å; Y68-Q71 PolarHBondContact O-N 3.08Å
72H91Very high93.5Very high99 Ų9933.4 Ų33.446%0.45815%0.154SC..THydrogen-bonded Turntrans-100.69.8178.8-71.6-81.4000114.2Y68 G69 R70 L74Y68-H72 AromaticContact CD2-CD2 3.56Å; Y68-H72 AromaticContact CD2-NE2 3.79Å; Y68-H72 AromaticContact CE1-CD2 3.84Å; Y68-H72 AromaticContact CE2-CD2 3.3Å; Y68-H72 WeakPolarHBondContact CE2-CD2 3.23Å; Y68-H72 AromaticContact CE2-NE2 3.25Å; Y68-H72 WeakPolarHBondContact CE2-NE2 3.38Å; Y68-H72 AromaticContact CG-CD2 3.93Å; Y68-H72 AromaticContact CZ-CD2 3.45Å; Y68-H72 VanDerWaalsContact CZ-CD2 3.45Å; Y68-H72 AromaticContact CZ-NE2 3.66Å; Y68-H72 WeakPolarHBondContact O-CB 3.39Å; Y68-H72 PolarHBondContact O-CD2 2.74Å; Y68-H72 VanDerWaalsContact O-CD2 3.32Å; Y68-H72 PolarHBondContact O-N 2.82Å; G69-H72 CarbonylContact O-C 3.51Å; G69-H72 PolarHBondContact O-N 3.1Å; R70-H72 PolarHBondContact O-N 2.93Å; H72-L74 HydrophobicContact CB-CD2 4.31Å; H72-L74 HydrophobicContact CB-CG 4.04Å; H72-L74 PolarHBondContact O-N 3.37Å
73Y91.8Very high93.2Very high26 Ų2636.6 Ų36.610%0.10217%0.168CC..THydrogen-bonded Turntrans57.128.1178.6-48.9-57.4000115.3G69 R70 M99 L103 K108 L113 P114 T117G69-Y73 PolarHBondContact O-N 2.96Å; R70-Y73 PolarHBondContact O-N 2.98Å; Y73-M99 HydrophobicContact CD1-CG 3.79Å; Y73-M99 HydrophobicContact CD1-SD 4.02Å; Y73-M99 HydrophobicContact CE1-CG 4.31Å; Y73-L103 HydrophobicContact CD1-CD1 4.27Å; Y73-L103 HydrophobicContact CE1-CD1 3.59Å; Y73-L103 HydrophobicContact CE2-CD1 4.31Å; Y73-K108 HydrophobicContact CE2-CD 4.31Å; Y73-K108 WeakPolarHBondContact OH-CD 3.26Å; Y73-K108 PolarHBondContact OH-NZ 3.45Å; Y73-L113 HydrophobicContact CD1-CD2 3.69Å; Y73-L113 HydrophobicContact CG-CD2 3.81Å; Y73-P114 WeakPolarHBondContact O-CD 3.5Å; Y73-P114 WeakPolarHBondContact O-CG 3.36Å; Y73-T117 PolarHBondContact O-OG1 3.26Å
74L92.3Very high93.1Very high11 Ų1132.7 Ų32.76%0.05815%0.15CC..PPolyproline II helixtrans-71.9148.4-179.9-54.6-175.1000111.3Y68 G69 H72 Y95 M99Y68-L74 HydrophobicContact CD1-CD1 4.16Å; Y68-L74 HydrophobicContact CE1-CD1 4Å; G69-L74 PolarHBondContact O-N 2.88Å; H72-L74 HydrophobicContact CB-CD2 4.31Å; H72-L74 HydrophobicContact CB-CG 4.04Å; H72-L74 PolarHBondContact O-N 3.37Å; L74-Y95 WeakPolarHBondContact O-CE1 3.38Å; L74-Y95 PolarHBondContact O-OH 3.24Å; L74-M99 WeakPolarHBondContact O-CE 3.49Å
75L92.9Very high93Very high11 Ų1128.5 Ų28.56%0.05813%0.132CC..PPolyproline II helixtrans-55.9141.7172.3-173.574.3000110.2Q43 Y96 F116 T117 D120 I306Q43-L75 PolarHBondContact NE2-O 2.89Å; L75-Y96 VanDerWaalsContact CD1-OH 3.23Å; L75-Y96 WeakPolarHBondContact CD1-OH 3.13Å; L75-F116 HydrophobicContact CD1-CB 4.27Å; L75-F116 WeakPolarHBondContact CD1-O 3.48Å; L75-T117 WeakPolarHBondContact CA-OG1 3.22Å; L75-T117 PolarHBondContact N-OG1 2.92Å; L75-T117 VanDerWaalsContact N-OG1 3.17Å; L75-D120 HydrophobicContact CD1-CB 4.09Å; L75-I306 HydrophobicContact CD2-CD1 3.8Å; L75-I306 HydrophobicContact CD2-CG1 4.25Å; L75-I306 HydrophobicContact CD2-CG2 3.85Å
76Y95.3Very high92.5Very high1 Ų135.1 Ų35.10%0.00416%0.157CC..PPolyproline II helixtrans-54.3131175.6-179.4-92.9000110.7Y78 Q81 I84 I90 Q92 Y95 Y96Y76-Y78 VanDerWaalsContact C-N 3.31Å; Y76-Y78 HydrophobicContact CD1-CD1 4.02Å; Y76-Y78 HydrophobicContact CD1-CD2 4.2Å; Y76-Y78 HydrophobicContact CD1-CE1 4.06Å; Y76-Y78 HydrophobicContact CD1-CE2 4.25Å; Y76-Y78 HydrophobicContact CD1-CG 4.07Å; Y76-Y78 HydrophobicContact CE1-CD1 4.39Å; Y76-Y78 WeakPolarHBondContact O-CD2 3.37Å; Y76-Y78 PolarHBondContact O-N 2.88Å; Y76-Q81 HydrophobicContact CE1-CB 4.31Å; Y76-Q81 HydrophobicContact CE1-CG 4.16Å; Y76-I84 HydrophobicContact CE2-CG2 4.08Å; Y76-I84 WeakPolarHBondContact OH-CG2 3.39Å; Y76-I90 PolarHBondContact OH-O 3.47Å; Y76-Q92 HydrophobicContact CD1-CB 4.32Å; Y76-Q92 HydrophobicContact CD1-CG 3.67Å; Y76-Q92 HydrophobicContact CD2-CB 4.48Å; Y76-Q92 HydrophobicContact CE1-CG 3.65Å; Y76-Q92 HydrophobicContact CE2-CG 4.47Å; Y76-Q92 HydrophobicContact CG-CB 4.27Å; Y76-Q92 HydrophobicContact CG-CG 4.12Å; Y76-Y95 AromaticContact CD2-CD1 3.81Å; Y76-Y95 HydrophobicContact CD2-CD1 3.81Å; Y76-Y95 HydrophobicContact CD2-CD2 4.16Å; Y76-Y95 HydrophobicContact CD2-CE1 4.44Å; Y76-Y95 AromaticContact CD2-CG 3.64Å; Y76-Y95 HydrophobicContact CD2-CG 3.64Å; Y76-Y95 HydrophobicContact CE2-CG 4.38Å; Y76-Y95 HydrophobicContact CG-CD1 4.37Å; Y76-Y96 VanDerWaalsContact CB-OH 3.26Å; Y76-Y96 WeakPolarHBondContact CB-OH 3.46Å; Y76-Y96 PolarHBondContact N-OH 2.85Å
77P94Very high92Very high1 Ų136.5 Ų36.51%0.00617%0.172CC..  trans-74.979-178.131.9-38.7000111.7Q43 L65 H79 L80 I84Q43-P77 HydrophobicContact CB-CB 4.23Å; Q43-P77 HydrophobicContact CG-CB 4.37Å; L65-P77 HydrophobicContact CD2-CB 4.49Å; L65-P77 HydrophobicContact CD2-CG 4.01Å; P77-H79 PolarHBondContact O-N 3.43Å; P77-L80 HydrophobicContact CB-CB 4.2Å; P77-L80 HydrophobicContact CB-CD1 3.99Å; P77-L80 HydrophobicContact CB-CG 4.16Å; P77-L80 HydrophobicContact CG-CB 4.5Å; P77-L80 HydrophobicContact CG-CD1 4.46Å; P77-L80 PolarHBondContact O-N 3.08Å; P77-I84 HydrophobicContact CB-CD1 4.34Å; P77-I84 HydrophobicContact CG-CD1 3.29Å
78Y93.9Very high91.8Very high14 Ų1434.5 Ų34.56%0.05516%0.161CC..G310 helixtrans-55-33.9-178.4-80-75.7000114.5Y76 L80 Q81 Q92 D120 R123 I306 R309Y76-Y78 VanDerWaalsContact C-N 3.31Å; Y76-Y78 HydrophobicContact CD1-CD1 4.02Å; Y76-Y78 HydrophobicContact CD1-CD2 4.2Å; Y76-Y78 HydrophobicContact CD1-CE1 4.06Å; Y76-Y78 HydrophobicContact CD1-CE2 4.25Å; Y76-Y78 HydrophobicContact CD1-CG 4.07Å; Y76-Y78 HydrophobicContact CE1-CD1 4.39Å; Y76-Y78 WeakPolarHBondContact O-CD2 3.37Å; Y76-Y78 PolarHBondContact O-N 2.88Å; Y78-L80 PolarHBondContact O-N 3.48Å; Y78-Q81 WeakPolarHBondContact O-CB 3.42Å; Y78-Q81 PolarHBondContact O-N 2.8Å; Y78-Q92 HydrophobicContact CD1-CG 4.5Å; Y78-Q92 HydrophobicContact CE1-CG 3.64Å; Y78-D120 VanDerWaalsContact CE2-OD2 3.22Å; Y78-D120 WeakPolarHBondContact CE2-OD2 3.28Å; Y78-D120 VanDerWaalsContact CZ-OD2 3.28Å; Y78-D120 VanDerWaalsContact OH-CG 3.22Å; Y78-D120 PolarHBondContact OH-OD1 2.98Å; Y78-D120 VanDerWaalsContact OH-OD1 3.12Å; Y78-D120 PolarHBondContact OH-OD2 2.85Å; Y78-R123 PolarHBondContact OH-NH2 3.43Å; Y78-I306 HydrophobicContact CD2-CG1 4.22Å; Y78-R309 VanDerWaalsContact CE1-NE 3.28Å
79H91.1Very high91.6Very high36 Ų3637.8 Ų37.817%0.16718%0.178CC..G310 helixtrans-73.8-6.1177.570-59.2000113.6Q43 R45 P77 R269 Q302Q43-H79 PolarHBondContact O-CE1 3.37Å; Q43-H79 VanDerWaalsContact O-CE1 3.27Å; Q43-H79 PolarHBondContact O-NE2 2.81Å; R45-H79 PolarHBondContact NH2-O 2.94Å; P77-H79 PolarHBondContact O-N 3.43Å; H79-R269 PolarHBondContact CE1-NH2 3.03Å; H79-R269 PolarHBondContact ND1-NH2 2.99Å; H79-Q302 HydrophobicContact CB-CG 3.77Å
80L93.3Very high91.6Very high0 Ų038.6 Ų38.60%018%0.181CC..G310 helixtrans-112.110.4174.5-57.5-178.5000112.5R45 Y62 L65 P77 Y78 D82 K83 I84R45-L80 HydrophobicContact CB-CD2 4.27Å; R45-L80 HydrophobicContact CG-CD2 3.27Å; Y62-L80 HydrophobicContact CD1-CD1 4.34Å; Y62-L80 HydrophobicContact CE1-CD1 4.04Å; Y62-L80 HydrophobicContact CE1-CD2 4.35Å; L65-L80 HydrophobicContact CD1-CD1 3.83Å; L65-L80 HydrophobicContact CD2-CD1 4.12Å; P77-L80 HydrophobicContact CB-CB 4.2Å; P77-L80 HydrophobicContact CB-CD1 3.99Å; P77-L80 HydrophobicContact CB-CG 4.16Å; P77-L80 HydrophobicContact CG-CB 4.5Å; P77-L80 HydrophobicContact CG-CD1 4.46Å; P77-L80 PolarHBondContact O-N 3.08Å; Y78-L80 PolarHBondContact O-N 3.48Å; L80-D82 PolarHBondContact O-N 3.23Å; L80-K83 PolarHBondContact O-N 2.96Å; L80-I84 HydrophobicContact CB-CD1 3.78Å; L80-I84 HydrophobicContact CB-CG1 4.32Å; L80-I84 WeakPolarHBondContact O-CG1 3.23Å; L80-I84 PolarHBondContact O-N 3.36Å
81Q92.3Very high91.6Very high4 Ų437.2 Ų37.22%0.01918%0.179CC..Hα-helixtrans-60.2-32.9-174.2-167.2165.5-64.900112.6Y76 Y78 K83 I84 V85 Y240 I241Y76-Q81 HydrophobicContact CE1-CB 4.31Å; Y76-Q81 HydrophobicContact CE1-CG 4.16Å; Y78-Q81 WeakPolarHBondContact O-CB 3.42Å; Y78-Q81 PolarHBondContact O-N 2.8Å; Q81-K83 PolarHBondContact O-N 3.37Å; Q81-I84 PolarHBondContact O-N 2.99Å; Q81-V85 HydrophobicContact CG-CG2 3.5Å; Q81-V85 VanDerWaalsContact CG-CG2 3.5Å; Q81-V85 WeakPolarHBondContact O-CB 3.16Å; Q81-V85 WeakPolarHBondContact O-CG2 3.36Å; Q81-V85 PolarHBondContact O-N 2.97Å; Q81-Y240 HydrophobicContact CB-CE2 4.37Å; Q81-Y240 HydrophobicContact CG-CD2 3.79Å; Q81-Y240 HydrophobicContact CG-CE2 4.03Å; Q81-Y240 HydrophobicContact CG-CG 3.99Å; Q81-Y240 VanDerWaalsContact NE2-CB 3.25Å; Q81-Y240 VanDerWaalsContact NE2-CG 3.31Å; Q81-I241 PolarHBondContact NE2-O 3.12Å
82D89.4Confident91.7Very high29 Ų2931.5 Ų31.516%0.15515%0.152CC..Hα-helixtrans-56.2-36.1173.260.7-52000112.7R45 L80 R86 Y240R45-D82 IonicContact CZ-OD1 2.75Å; R45-D82 IonicContact CZ-OD2 2.66Å; R45-D82 IonicContact NH1-OD1 2.78Å; R45-D82 IonicContact NH1-OD2 2.91Å; R45-D82 PolarHBondContact NH1-OD2 3.26Å; R45-D82 IonicContact NH2-OD1 3.46Å; R45-D82 PolarHBondContact NH2-OD1 3.02Å; R45-D82 IonicContact NH2-OD2 3.08Å; R45-D82 PolarHBondContact NH2-OD2 2.81Å; L80-D82 PolarHBondContact O-N 3.23Å; D82-R86 WeakPolarHBondContact O-CB 3.46Å; D82-Y240 WeakPolarHBondContact CA-OH 3.41Å
83K90.4Very high91.9Very high73 Ų7327.4 Ų27.432%0.31713%0.133SC..Hα-helixtrans-89.5-38.9180-56.8-60.1179.2173.40112.4E58 Y62 L80 Q81 G87E58-K83 IonicContact OE1-NZ 2.76Å; Y62-K83 HydrophobicContact CD2-CB 3.95Å; Y62-K83 HydrophobicContact CE1-CB 4.42Å; Y62-K83 HydrophobicContact CE2-CB 3.59Å; Y62-K83 HydrophobicContact CE2-CD 4.34Å; Y62-K83 HydrophobicContact CE2-CG 3.79Å; Y62-K83 HydrophobicContact CG-CB 4.48Å; L80-K83 PolarHBondContact O-N 2.96Å; Q81-K83 PolarHBondContact O-N 3.37Å; K83-G87 VanDerWaalsContact O-CA 3.27Å; K83-G87 WeakPolarHBondContact O-CA 3.3Å; K83-G87 PolarHBondContact O-N 3.39Å
84I93.5Very high92Very high0 Ų028 Ų280%014%0.139CC..Hα-helixtrans-77.9-47.6-173-65.5168000111.5V66 Y76 P77 L80 Q81 L88 Q89 I90V66-I84 HydrophobicContact CG2-CD1 3.94Å; V66-I84 HydrophobicContact CG2-CG1 4.14Å; V66-I84 HydrophobicContact CG2-CG2 4.03Å; Y76-I84 HydrophobicContact CE2-CG2 4.08Å; Y76-I84 WeakPolarHBondContact OH-CG2 3.39Å; P77-I84 HydrophobicContact CB-CD1 4.34Å; P77-I84 HydrophobicContact CG-CD1 3.29Å; L80-I84 HydrophobicContact CB-CD1 3.78Å; L80-I84 HydrophobicContact CB-CG1 4.32Å; L80-I84 WeakPolarHBondContact O-CG1 3.23Å; L80-I84 PolarHBondContact O-N 3.36Å; Q81-I84 PolarHBondContact O-N 2.99Å; I84-L88 HydrophobicContact CG2-CD1 4.44Å; I84-L88 WeakPolarHBondContact O-CA 3.48Å; I84-L88 VanDerWaalsContact O-CB 3.3Å; I84-L88 WeakPolarHBondContact O-CB 3.36Å; I84-L88 PolarHBondContact O-N 3.36Å; I84-Q89 PolarHBondContact O-N 3.38Å; I84-I90 HydrophobicContact CG2-CB 3.89Å; I84-I90 HydrophobicContact CG2-CG2 4.33Å; I84-I90 WeakPolarHBondContact CG2-O 3.4Å
85V91.4Very high92.2Very high2 Ų227.6 Ų27.61%0.01214%0.137CC..Hα-helixtrans-66.5-46.6-178.5179.90000109.9Q81 Q89 Y240Q81-V85 HydrophobicContact CG-CG2 3.5Å; Q81-V85 VanDerWaalsContact CG-CG2 3.5Å; Q81-V85 WeakPolarHBondContact O-CB 3.16Å; Q81-V85 WeakPolarHBondContact O-CG2 3.36Å; Q81-V85 PolarHBondContact O-N 2.97Å; V85-Q89 WeakPolarHBondContact O-CA 3.49Å; V85-Q89 PolarHBondContact O-N 3.18Å; V85-Q89 VanDerWaalsContact O-N 3.11Å; V85-Y240 HydrophobicContact CB-CD1 4Å; V85-Y240 HydrophobicContact CB-CE1 4.38Å; V85-Y240 HydrophobicContact CG1-CD1 3.89Å; V85-Y240 HydrophobicContact CG2-CD1 4.24Å; V85-Y240 HydrophobicContact CG2-CG 4.49Å
86R84.9Confident92.3Very high142 Ų14227 Ų2754%0.53613%0.134SC..Hα-helixtrans-75.8-44.7-177.6-165.7173.8-179.1153.8-0.4113D82 E205D82-R86 WeakPolarHBondContact O-CB 3.46Å; R86-E205 IonicContact CZ-OE2 2.72Å; R86-E205 IonicContact NH1-OE1 3.67Å; R86-E205 IonicContact NH1-OE2 3.5Å; R86-E205 PolarHBondContact NH1-OE2 2.74Å; R86-E205 IonicContact NH2-OE2 3.37Å
87G85.3Confident92.3Very high35 Ų3529.7 Ų29.736%0.36114%0.144SC..Hα-helixtrans-82.6-31.5-173.200000114.8K59 K83K59-G87 WeakPolarHBondContact CE-O 3.46Å; K59-G87 PolarHBondContact NZ-O 3.43Å; K83-G87 VanDerWaalsContact O-CA 3.27Å; K83-G87 WeakPolarHBondContact O-CA 3.3Å; K83-G87 PolarHBondContact O-N 3.39Å
88L91.5Very high92.3Very high24 Ų2435.2 Ų35.213%0.12616%0.164CC..Hα-helixtrans-115.4-10.5-175.3-51.5-177.4000113.8K59 E63 V66 I84 I90K59-L88 HydrophobicContact CD-CD2 4.38Å; K59-L88 HydrophobicContact CG-CD2 3.67Å; E63-L88 HydrophobicContact CG-CD1 4.31Å; E63-L88 HydrophobicContact CG-CD2 3.53Å; V66-L88 HydrophobicContact CG2-CD1 4.08Å; I84-L88 HydrophobicContact CG2-CD1 4.44Å; I84-L88 WeakPolarHBondContact O-CA 3.48Å; I84-L88 VanDerWaalsContact O-CB 3.3Å; I84-L88 WeakPolarHBondContact O-CB 3.36Å; I84-L88 PolarHBondContact O-N 3.36Å; L88-I90 HydrophobicContact CB-CB 4.45Å; L88-I90 HydrophobicContact CB-CD1 3.93Å; L88-I90 HydrophobicContact CB-CG1 3.96Å; L88-I90 HydrophobicContact CD1-CD1 4.32Å; L88-I90 PolarHBondContact O-N 2.97Å
89Q91.1Very high92.3Very high108 Ų10834.5 Ų34.551%0.50516%0.162SC..  trans59.232.5-173.9-44.9-169.7-67.200113I84 V85 S181I84-Q89 PolarHBondContact O-N 3.38Å; V85-Q89 WeakPolarHBondContact O-CA 3.49Å; V85-Q89 PolarHBondContact O-N 3.18Å; V85-Q89 VanDerWaalsContact O-N 3.11Å; Q89-S181 WeakPolarHBondContact CG-OG 3.39Å; Q89-S181 PolarHBondContact NE2-OG 3.28Å
90I93.1Very high92.4Very high18 Ų1832.9 Ų32.99%0.09215%0.154CC..  trans-107.8104.3179.3-59.9175000108.4V66 Y76 I84 L88 V94V66-I90 HydrophobicContact CG1-CD1 3.88Å; Y76-I90 PolarHBondContact OH-O 3.47Å; I84-I90 HydrophobicContact CG2-CB 3.89Å; I84-I90 HydrophobicContact CG2-CG2 4.33Å; I84-I90 WeakPolarHBondContact CG2-O 3.4Å; L88-I90 HydrophobicContact CB-CB 4.45Å; L88-I90 HydrophobicContact CB-CD1 3.93Å; L88-I90 HydrophobicContact CB-CG1 3.96Å; L88-I90 HydrophobicContact CD1-CD1 4.32Å; L88-I90 PolarHBondContact O-N 2.97Å; I90-V94 HydrophobicContact CG2-CG1 4.41Å
91T93.3Very high92.4Very high22 Ų2233.4 Ų33.414%0.13516%0.157CC..  trans-77.2166.616966.90000110.5F93 V94 Y95T91-F93 PolarHBondContact O-N 2.79Å; T91-V94 PolarHBondContact O-N 3.22Å; T91-V94 WeakPolarHBondContact OG1-CG2 3.41Å; T91-V94 PolarHBondContact OG1-N 2.89Å; T91-Y95 WeakPolarHBondContact O-CB 3.28Å; T91-Y95 PolarHBondContact O-N 2.92Å
92Q94.3Very high92.3Very high5 Ų535.5 Ų35.52%0.02317%0.168CC..Hα-helixtrans-60-41.8176.4-43.880.7300110.4Y76 Y78 Y95 Y96 L124Y76-Q92 HydrophobicContact CD1-CB 4.32Å; Y76-Q92 HydrophobicContact CD1-CG 3.67Å; Y76-Q92 HydrophobicContact CD2-CB 4.48Å; Y76-Q92 HydrophobicContact CE1-CG 3.65Å; Y76-Q92 HydrophobicContact CE2-CG 4.47Å; Y76-Q92 HydrophobicContact CG-CB 4.27Å; Y76-Q92 HydrophobicContact CG-CG 4.12Å; Y78-Q92 HydrophobicContact CD1-CG 4.5Å; Y78-Q92 HydrophobicContact CE1-CG 3.64Å; Q92-Y95 WeakPolarHBondContact O-CB 3.46Å; Q92-Y95 PolarHBondContact O-N 2.84Å; Q92-Y96 HydrophobicContact CB-CE2 4.32Å; Q92-Y96 WeakPolarHBondContact O-CD2 3.45Å; Q92-Y96 PolarHBondContact O-N 2.94Å; Q92-L124 HydrophobicContact CB-CD1 3.66Å
93F94.6Very high92.4Very high13 Ų1334.1 Ų34.16%0.05716%0.161CC..Hα-helixtrans-58.3-49.4175.6176-100.4000112T91 Y95 Y96 R97 L125 P162 S163 Q164 P165T91-F93 PolarHBondContact O-N 2.79Å; F93-Y95 VanDerWaalsContact C-N 3.3Å; F93-Y95 PolarHBondContact O-N 2.83Å; F93-Y96 PolarHBondContact O-N 3.44Å; F93-R97 WeakPolarHBondContact O-CB 3.44Å; F93-R97 PolarHBondContact O-N 2.87Å; F93-L125 HydrophobicContact CD2-CD2 4.49Å; F93-L125 HydrophobicContact CD2-CG 4.12Å; F93-L125 HydrophobicContact CE2-CD2 4.06Å; F93-L125 HydrophobicContact CE2-CG 3.95Å; F93-P162 HydrophobicContact CE2-CB 4.43Å; F93-P162 HydrophobicContact CZ-CB 4.36Å; F93-P162 WeakPolarHBondContact CZ-O 3.21Å; F93-S163 WeakPolarHBondContact CE1-O 3.47Å; F93-Q164 VanDerWaalsContact CE2-O 3.29Å; F93-Q164 WeakPolarHBondContact CE2-O 3.3Å; F93-Q164 WeakPolarHBondContact CZ-O 3.26Å; F93-P165 HydrophobicContact CB-CG 3.93Å; F93-P165 HydrophobicContact CD1-CG 4.37Å; F93-P165 HydrophobicContact CD2-CB 4Å; F93-P165 HydrophobicContact CD2-CG 3.86Å; F93-P165 HydrophobicContact CE2-CG 4.49Å; F93-P165 HydrophobicContact CG-CB 4.41Å; F93-P165 HydrophobicContact CG-CG 3.79Å
94V94Very high92.4Very high38 Ų3830.8 Ų30.823%0.2315%0.147CC..Hα-helixtrans-62.3-39.9178.1172.40000111.3I90 T91 R98I90-V94 HydrophobicContact CG2-CG1 4.41Å; T91-V94 PolarHBondContact O-N 3.22Å; T91-V94 WeakPolarHBondContact OG1-CG2 3.41Å; T91-V94 PolarHBondContact OG1-N 2.89Å; V94-R98 WeakPolarHBondContact O-CB 3.45Å; V94-R98 WeakPolarHBondContact O-CG 3.1Å; V94-R98 PolarHBondContact O-N 2.94Å
95Y96.4Very high92.1Very high3 Ų333.6 Ų33.61%0.01217%0.166CC..Hα-helixtrans-58.7-54.4177.4176.7-99.1000111.9V66 G69 R70 L74 Y76 T91 Q92 F93 R98 M99V66-Y95 HydrophobicContact CG1-CD2 3.82Å; V66-Y95 HydrophobicContact CG1-CE2 4Å; G69-Y95 WeakPolarHBondContact CA-OH 3.19Å; G69-Y95 PolarHBondContact O-OH 3.1Å; R70-Y95 HydrophobicContact CB-CE2 4.11Å; R70-Y95 PolarHBondContact N-OH 2.98Å; L74-Y95 WeakPolarHBondContact O-CE1 3.38Å; L74-Y95 PolarHBondContact O-OH 3.24Å; Y76-Y95 AromaticContact CD2-CD1 3.81Å; Y76-Y95 HydrophobicContact CD2-CD1 3.81Å; Y76-Y95 HydrophobicContact CD2-CD2 4.16Å; Y76-Y95 HydrophobicContact CD2-CE1 4.44Å; Y76-Y95 AromaticContact CD2-CG 3.64Å; Y76-Y95 HydrophobicContact CD2-CG 3.64Å; Y76-Y95 HydrophobicContact CE2-CG 4.38Å; Y76-Y95 HydrophobicContact CG-CD1 4.37Å; T91-Y95 WeakPolarHBondContact O-CB 3.28Å; T91-Y95 PolarHBondContact O-N 2.92Å; Q92-Y95 WeakPolarHBondContact O-CB 3.46Å; Q92-Y95 PolarHBondContact O-N 2.84Å; F93-Y95 VanDerWaalsContact C-N 3.3Å; F93-Y95 PolarHBondContact O-N 2.83Å; Y95-R98 PolarHBondContact O-N 3.43Å; Y95-M99 HydrophobicContact CD1-CE 4.27Å; Y95-M99 HydrophobicContact CE1-CE 3.42Å; Y95-M99 VanDerWaalsContact CE1-CE 3.42Å; Y95-M99 PolarHBondContact O-N 3.21Å
96Y96.2Very high91.9Very high0 Ų037.2 Ų37.20%019%0.189CC..Hα-helixtrans-72.4-33.8-178.9-66-56.3000113.2L75 Y76 Q92 F93 R98 M99 L100 T117 D120 L124L75-Y96 VanDerWaalsContact CD1-OH 3.23Å; L75-Y96 WeakPolarHBondContact CD1-OH 3.13Å; Y76-Y96 VanDerWaalsContact CB-OH 3.26Å; Y76-Y96 WeakPolarHBondContact CB-OH 3.46Å; Y76-Y96 PolarHBondContact N-OH 2.85Å; Q92-Y96 HydrophobicContact CB-CE2 4.32Å; Q92-Y96 WeakPolarHBondContact O-CD2 3.45Å; Q92-Y96 PolarHBondContact O-N 2.94Å; F93-Y96 PolarHBondContact O-N 3.44Å; Y96-R98 VanDerWaalsContact C-N 3.33Å; Y96-R98 PolarHBondContact O-N 3.02Å; Y96-M99 HydrophobicContact CD1-CE 4.24Å; Y96-M99 HydrophobicContact CD1-SD 4.27Å; Y96-M99 HydrophobicContact CE1-CE 4.42Å; Y96-M99 WeakPolarHBondContact O-CB 3.4Å; Y96-M99 PolarHBondContact O-N 3.12Å; Y96-L100 PolarHBondContact O-N 2.87Å; Y96-T117 HydrophobicContact CD1-CG2 4.37Å; Y96-T117 HydrophobicContact CE1-CG2 3.95Å; Y96-D120 HydrophobicContact CE2-CB 3.87Å; Y96-D120 VanDerWaalsContact CE2-CG 3.49Å; Y96-D120 WeakPolarHBondContact CE2-OD2 3.34Å; Y96-D120 PolarHBondContact OH-OD2 3.45Å; Y96-L124 HydrophobicContact CD2-CD1 3.56Å; Y96-L124 HydrophobicContact CE2-CD1 3.7Å
97R94.5Very high91.9Very high56 Ų5635.6 Ų35.621%0.21119%0.187CC..Hα-helixtrans-58-47.4172.8-175.6174.6175.5-118.30.9110.7F93 L100 I101 L125 C158 L161 P162F93-R97 WeakPolarHBondContact O-CB 3.44Å; F93-R97 PolarHBondContact O-N 2.87Å; R97-L100 PolarHBondContact O-N 3.42Å; R97-I101 HydrophobicContact CG-CD1 4.45Å; R97-I101 WeakPolarHBondContact O-CG1 3.43Å; R97-I101 PolarHBondContact O-N 3.27Å; R97-L125 HydrophobicContact CB-CD2 3.95Å; R97-L125 HydrophobicContact CG-CD2 4.43Å; R97-C158 PolarHBondContact NH2-O 3.19Å; R97-L161 HydrophobicContact CG-CD1 4.41Å; R97-P162 WeakPolarHBondContact CD-O 3.38Å; R97-P162 PolarHBondContact NE-O 3.08Å; R97-P162 VanDerWaalsContact NE-O 3.08Å
98R93.8Very high92.2Very high117 Ų11738.1 Ų38.144%0.44219%0.188SC..Hα-helixtrans-64.2-40.3175.6-72.5178.7-179.7169.83112.4V94 Y95 Y96 L100 I101 D102V94-R98 WeakPolarHBondContact O-CB 3.45Å; V94-R98 WeakPolarHBondContact O-CG 3.1Å; V94-R98 PolarHBondContact O-N 2.94Å; Y95-R98 PolarHBondContact O-N 3.43Å; Y96-R98 VanDerWaalsContact C-N 3.33Å; Y96-R98 PolarHBondContact O-N 3.02Å; R98-L100 VanDerWaalsContact C-N 3.33Å; R98-L100 PolarHBondContact O-N 3.16Å; R98-I101 WeakPolarHBondContact O-CB 3.49Å; R98-I101 PolarHBondContact O-N 3.39Å; R98-D102 VanDerWaalsContact O-CG 3.27Å; R98-D102 PolarHBondContact O-N 3.17Å
99M94.3Very high92.1Very high0 Ų039.7 Ų39.70%020%0.201CC..Hα-helixtrans-58.9-43.7175.4-173.8-173.3-71.700112R70 Y73 L74 Y95 Y96 D102 L103 L113 T117R70-M99 HydrophobicContact CG-CB 4.09Å; R70-M99 HydrophobicContact CG-CG 4.44Å; Y73-M99 HydrophobicContact CD1-CG 3.79Å; Y73-M99 HydrophobicContact CD1-SD 4.02Å; Y73-M99 HydrophobicContact CE1-CG 4.31Å; L74-M99 WeakPolarHBondContact O-CE 3.49Å; Y95-M99 HydrophobicContact CD1-CE 4.27Å; Y95-M99 HydrophobicContact CE1-CE 3.42Å; Y95-M99 VanDerWaalsContact CE1-CE 3.42Å; Y95-M99 PolarHBondContact O-N 3.21Å; Y96-M99 HydrophobicContact CD1-CE 4.24Å; Y96-M99 HydrophobicContact CD1-SD 4.27Å; Y96-M99 HydrophobicContact CE1-CE 4.42Å; Y96-M99 WeakPolarHBondContact O-CB 3.4Å; Y96-M99 PolarHBondContact O-N 3.12Å; M99-D102 PolarHBondContact O-N 3.01Å; M99-L103 WeakPolarHBondContact O-CB 3.32Å; M99-L103 PolarHBondContact O-N 3.41Å; M99-L113 HydrophobicContact SD-CD2 3.9Å; M99-T117 HydrophobicContact CE-CG2 4.25Å; M99-T117 HydrophobicContact SD-CG2 3.76Å
100L93.5Very high92.2Very high1 Ų134.7 Ų34.71%0.00518%0.178CC..Hα-helixtrans-68.3-36.7176.9-70.8-178.8000112.5Y96 R97 R98 D102 L103 I104 Y110 L113 L125 I127 Y132 L161Y96-L100 PolarHBondContact O-N 2.87Å; R97-L100 PolarHBondContact O-N 3.42Å; R98-L100 VanDerWaalsContact C-N 3.33Å; R98-L100 PolarHBondContact O-N 3.16Å; L100-D102 VanDerWaalsContact C-N 3.34Å; L100-D102 PolarHBondContact O-N 2.95Å; L100-L103 HydrophobicContact CD2-CD2 4.25Å; L100-L103 PolarHBondContact O-N 3.35Å; L100-I104 VanDerWaalsContact O-CG1 3.25Å; L100-I104 WeakPolarHBondContact O-CG1 3.38Å; L100-I104 PolarHBondContact O-N 3.1Å; L100-Y110 HydrophobicContact CD2-CE2 4.22Å; L100-L113 HydrophobicContact CD2-CD1 4.21Å; L100-L125 HydrophobicContact CD1-CD2 4.12Å; L100-I127 HydrophobicContact CD1-CB 4.21Å; L100-I127 HydrophobicContact CD1-CD1 3.71Å; L100-I127 HydrophobicContact CD1-CG2 4.2Å; L100-Y132 HydrophobicContact CD2-CD2 4.35Å; L100-L161 HydrophobicContact CB-CD1 4.45Å
101I91.9Very high92Very high12 Ų1235 Ų356%0.06218%0.18CC..Hα-helixtrans-55.8-52.2170.9-68.9168.8000109.4R97 R98 L103 I104 S105 L157 L161R97-I101 HydrophobicContact CG-CD1 4.45Å; R97-I101 WeakPolarHBondContact O-CG1 3.43Å; R97-I101 PolarHBondContact O-N 3.27Å; R98-I101 WeakPolarHBondContact O-CB 3.49Å; R98-I101 PolarHBondContact O-N 3.39Å; I101-L103 VanDerWaalsContact C-N 3.29Å; I101-L103 PolarHBondContact O-N 2.66Å; I101-I104 PolarHBondContact O-N 2.77Å; I101-S105 WeakPolarHBondContact O-CB 3.41Å; I101-S105 PolarHBondContact O-N 3.19Å; I101-S105 PolarHBondContact O-OG 3.46Å; I101-L157 HydrophobicContact CG1-CB 4.36Å; I101-L157 HydrophobicContact CG2-CB 4.48Å; I101-L157 HydrophobicContact CG2-CD1 4.02Å; I101-L161 HydrophobicContact CD1-CD1 4.29Å; I101-L161 HydrophobicContact CG1-CD1 3.46Å; I101-L161 VanDerWaalsContact CG1-CD1 3.46Å
102D90Very high91.8Very high48 Ų4836.8 Ų36.826%0.25719%0.192SC..Hα-helixtrans-60.9-38.3179.5-60.1-28.9000111.8R70 R98 M99 L100 T106R70-D102 WeakPolarHBondContact CD-OD2 3.27Å; R70-D102 WeakPolarHBondContact CG-OD2 3.44Å; R70-D102 IonicContact CZ-OD2 2.93Å; R70-D102 IonicContact NE-OD2 3.99Å; R70-D102 IonicContact NH1-OD1 3.19Å; R70-D102 PolarHBondContact NH1-OD1 3.38Å; R70-D102 IonicContact NH1-OD2 3.89Å; R70-D102 PolarHBondContact NH1-OD2 3.31Å; R98-D102 VanDerWaalsContact O-CG 3.27Å; R98-D102 PolarHBondContact O-N 3.17Å; M99-D102 PolarHBondContact O-N 3.01Å; L100-D102 VanDerWaalsContact C-N 3.34Å; L100-D102 PolarHBondContact O-N 2.95Å; D102-T106 WeakPolarHBondContact O-CB 3.28Å; D102-T106 WeakPolarHBondContact O-CG2 3.41Å; D102-T106 PolarHBondContact O-N 2.94Å; D102-T106 PolarHBondContact O-OG1 3.38Å
103L91.7Very high91.6Very high0 Ų036.6 Ų36.60%019%0.191CC..Hα-helixtrans-65.7-45.3178.8-161.378.4000112Y73 M99 L100 I101 T106 E107 K108 Y110 L113 Y132Y73-L103 HydrophobicContact CD1-CD1 4.27Å; Y73-L103 HydrophobicContact CE1-CD1 3.59Å; Y73-L103 HydrophobicContact CE2-CD1 4.31Å; M99-L103 WeakPolarHBondContact O-CB 3.32Å; M99-L103 PolarHBondContact O-N 3.41Å; L100-L103 HydrophobicContact CD2-CD2 4.25Å; L100-L103 PolarHBondContact O-N 3.35Å; I101-L103 VanDerWaalsContact C-N 3.29Å; I101-L103 PolarHBondContact O-N 2.66Å; L103-T106 PolarHBondContact O-N 3.28Å; L103-T106 PolarHBondContact O-OG1 3.49Å; L103-E107 PolarHBondContact O-N 3.4Å; L103-K108 HydrophobicContact CD1-CB 3.72Å; L103-K108 HydrophobicContact CD1-CD 4.34Å; L103-K108 HydrophobicContact CG-CB 4.17Å; L103-K108 PolarHBondContact O-N 3.04Å; L103-K108 VanDerWaalsContact O-N 3.11Å; L103-Y110 HydrophobicContact CD2-CD2 4.46Å; L103-L113 HydrophobicContact CD1-CD2 4.38Å; L103-L113 HydrophobicContact CD2-CD1 4.24Å; L103-L113 HydrophobicContact CD2-CD2 4.27Å; L103-L113 HydrophobicContact CD2-CG 4.15Å; L103-Y132 HydrophobicContact CB-CE2 4.39Å; L103-Y132 HydrophobicContact CD2-CD2 4.38Å; L103-Y132 HydrophobicContact CD2-CE2 3.59Å; L103-Y132 HydrophobicContact CG-CE2 4.19Å; L103-Y132 WeakPolarHBondContact CG-OH 3.38Å; L103-Y132 PolarHBondContact O-OH 2.88Å
104I90.5Very high91.5Very high3 Ų336.1 Ų36.12%0.01519%0.19CC..Hα-helixtrans-67.9-46.5178.3-64.3168.7000110.1L100 I101 T106 E107 Y132 L135 V136 Y139 L157 L161L100-I104 VanDerWaalsContact O-CG1 3.25Å; L100-I104 WeakPolarHBondContact O-CG1 3.38Å; L100-I104 PolarHBondContact O-N 3.1Å; I101-I104 PolarHBondContact O-N 2.77Å; I104-T106 PolarHBondContact O-N 2.93Å; I104-E107 PolarHBondContact O-N 2.89Å; I104-Y132 HydrophobicContact CD1-CE2 4.26Å; I104-Y132 HydrophobicContact CG1-CD2 4.22Å; I104-Y132 HydrophobicContact CG1-CE2 3.45Å; I104-Y132 VanDerWaalsContact CG1-CE2 3.45Å; I104-L135 HydrophobicContact CD1-CB 4.44Å; I104-V136 HydrophobicContact CG1-CG2 4.06Å; I104-V136 HydrophobicContact CG2-CG2 4.26Å; I104-Y139 HydrophobicContact CG2-CD1 3.6Å; I104-Y139 HydrophobicContact CG2-CD2 4.48Å; I104-Y139 HydrophobicContact CG2-CE1 4.03Å; I104-Y139 HydrophobicContact CG2-CG 3.83Å; I104-L157 HydrophobicContact CB-CD2 4.21Å; I104-L157 HydrophobicContact CD1-CD2 4.29Å; I104-L157 HydrophobicContact CG2-CD2 3.64Å; I104-L161 HydrophobicContact CD1-CD2 4.4Å
105S87.2Confident91.3Very high59 Ų5934.3 Ų34.341%0.41318%0.179SC..Hα-helixtrans-60.8-31.1178.7-63.50000112.8I101 L157I101-S105 WeakPolarHBondContact O-CB 3.41Å; I101-S105 PolarHBondContact O-N 3.19Å; I101-S105 PolarHBondContact O-OG 3.46Å; S105-L157 WeakPolarHBondContact OG-CD1 3.42Å
106T87.6Confident91.1Very high78 Ų7834.4 Ų34.448%0.47918%0.179SC..THydrogen-bonded Turntrans-91.53.917657.40000113.9D102 L103 I104 K108D102-T106 WeakPolarHBondContact O-CB 3.28Å; D102-T106 WeakPolarHBondContact O-CG2 3.41Å; D102-T106 PolarHBondContact O-N 2.94Å; D102-T106 PolarHBondContact O-OG1 3.38Å; L103-T106 PolarHBondContact O-N 3.28Å; L103-T106 PolarHBondContact O-OG1 3.49Å; I104-T106 PolarHBondContact O-N 2.93Å; T106-K108 PolarHBondContact O-N 3.25Å; T106-K108 VanDerWaalsContact O-N 3.16Å
107E86.1Confident90.9Very high108 Ų10834.5 Ų34.551%0.50518%0.18SC..THydrogen-bonded Turntrans50.133.6-177.7-57-162.5175.500114.8L103 I104 K140L103-E107 PolarHBondContact O-N 3.4Å; I104-E107 PolarHBondContact O-N 2.89Å; E107-K140 VanDerWaalsContact OE1-CE 3.32Å; E107-K140 WeakPolarHBondContact OE1-CE 3.16Å; E107-K140 IonicContact OE1-NZ 2.99Å; E107-K140 VanDerWaalsContact OE2-CE 3.29Å; E107-K140 WeakPolarHBondContact OE2-CE 3.31Å; E107-K140 IonicContact OE2-NZ 2.83Å; E107-K140 PolarHBondContact OE2-NZ 3.28Å
108K90.3Very high90.8Very high87 Ų8731.8 Ų31.838%0.37817%0.17SC..  trans-79.2154.3178.7-73.8178.5-176-178.80111.3Y73 L103 T106 Y132Y73-K108 HydrophobicContact CE2-CD 4.31Å; Y73-K108 WeakPolarHBondContact OH-CD 3.26Å; Y73-K108 PolarHBondContact OH-NZ 3.45Å; L103-K108 HydrophobicContact CD1-CB 3.72Å; L103-K108 HydrophobicContact CD1-CD 4.34Å; L103-K108 HydrophobicContact CG-CB 4.17Å; L103-K108 PolarHBondContact O-N 3.04Å; L103-K108 VanDerWaalsContact O-N 3.11Å; T106-K108 PolarHBondContact O-N 3.25Å; T106-K108 VanDerWaalsContact O-N 3.16Å; K108-Y132 WeakPolarHBondContact O-CE1 3.4Å; K108-Y132 PolarHBondContact O-OH 3.21Å
109S90.6Very high90.8Very high58 Ų5826.7 Ų26.741%0.40615%0.152SC..  trans-67.4143.8172.6-176.90000110.5D111 C112S109-D111 PolarHBondContact O-N 3.41Å; S109-D111 WeakPolarHBondContact OG-CB 3.4Å; S109-D111 PolarHBondContact OG-N 3.03Å; S109-C112 WeakPolarHBondContact O-CB 3.08Å; S109-C112 PolarHBondContact O-N 3.02Å; S109-C112 VanDerWaalsContact O-N 3.12Å
110Y91.5Very high90.7Very high2 Ų226.7 Ų26.71%0.00815%0.152CC..G310 helixtrans-57.2-27.1169.7-165.7-96.8000112.2L100 L103 C112 L113 A118 I127 R129 Y132 V260 N262L100-Y110 HydrophobicContact CD2-CE2 4.22Å; L103-Y110 HydrophobicContact CD2-CD2 4.46Å; Y110-C112 PolarHBondContact O-N 2.85Å; Y110-C112 VanDerWaalsContact O-N 3.07Å; Y110-L113 HydrophobicContact CD2-CD1 3.88Å; Y110-L113 HydrophobicContact CE1-CD1 4.39Å; Y110-L113 HydrophobicContact CE2-CD1 3.52Å; Y110-L113 HydrophobicContact CG-CD1 4.47Å; Y110-L113 WeakPolarHBondContact O-CB 3.44Å; Y110-L113 PolarHBondContact O-N 3.39Å; Y110-A118 HydrophobicContact CE1-CB 3.88Å; Y110-A118 PolarHBondContact OH-O 3.25Å; Y110-I127 PolarHBondContact OH-O 3.42Å; Y110-R129 HydrophobicContact CD1-CB 3.98Å; Y110-Y132 HydrophobicContact CD2-CD1 4.11Å; Y110-Y132 AromaticContact CD2-CD2 3.81Å; Y110-Y132 HydrophobicContact CD2-CD2 3.81Å; Y110-Y132 AromaticContact CD2-CG 3.56Å; Y110-Y132 HydrophobicContact CD2-CG 3.56Å; Y110-Y132 HydrophobicContact CE2-CG 4.48Å; Y110-Y132 HydrophobicContact CG-CD1 4.33Å; Y110-Y132 HydrophobicContact CG-CG 4.18Å; Y110-V260 HydrophobicContact CE1-CG1 4.11Å; Y110-N262 PolarHBondContact O-ND2 2.79Å; Y110-N262 VanDerWaalsContact O-ND2 3.14Å
111D89.6Confident90.8Very high26 Ų2626.7 Ų26.714%0.13915%0.152CC..G310 helixtrans-66.5-8.7179.6-61.4-9.1000113.3S109 L113 R129S109-D111 PolarHBondContact O-N 3.41Å; S109-D111 WeakPolarHBondContact OG-CB 3.4Å; S109-D111 PolarHBondContact OG-N 3.03Å; D111-L113 VanDerWaalsContact C-N 3.3Å; D111-R129 IonicContact OD1-CZ 3.2Å; D111-R129 IonicContact OD1-NE 2.85Å; D111-R129 IonicContact OD1-NH1 3.36Å; D111-R129 PolarHBondContact OD1-NH1 3.05Å; D111-R129 IonicContact OD1-NH2 2.86Å; D111-R129 PolarHBondContact OD1-NH2 3.2Å; D111-R129 IonicContact OD2-CZ 2.87Å; D111-R129 IonicContact OD2-NH1 3.79Å; D111-R129 PolarHBondContact OD2-NH1 3.29Å; D111-R129 IonicContact OD2-NH2 2.75Å; D111-R129 PolarHBondContact OD2-NH2 3.22Å
112C89.2Confident90.8Very high59 Ų5928.8 Ų28.840%0.39916%0.164SC..G310 helixtrans-76.1-17.3171.3-64.70000113.1S109 Y110S109-C112 WeakPolarHBondContact O-CB 3.08Å; S109-C112 PolarHBondContact O-N 3.02Å; S109-C112 VanDerWaalsContact O-N 3.12Å; Y110-C112 PolarHBondContact O-N 2.85Å; Y110-C112 VanDerWaalsContact O-N 3.07Å
113L90.8Very high90.9Very high0 Ų029.8 Ų29.80%016%0.164CC..SBendtrans-77.1130.7176.5-60.9-177.1000109.9Y73 M99 L100 L103 Y110 D111 T117 A118 N262Y73-L113 HydrophobicContact CD1-CD2 3.69Å; Y73-L113 HydrophobicContact CG-CD2 3.81Å; M99-L113 HydrophobicContact SD-CD2 3.9Å; L100-L113 HydrophobicContact CD2-CD1 4.21Å; L103-L113 HydrophobicContact CD1-CD2 4.38Å; L103-L113 HydrophobicContact CD2-CD1 4.24Å; L103-L113 HydrophobicContact CD2-CD2 4.27Å; L103-L113 HydrophobicContact CD2-CG 4.15Å; Y110-L113 HydrophobicContact CD2-CD1 3.88Å; Y110-L113 HydrophobicContact CE1-CD1 4.39Å; Y110-L113 HydrophobicContact CE2-CD1 3.52Å; Y110-L113 HydrophobicContact CG-CD1 4.47Å; Y110-L113 WeakPolarHBondContact O-CB 3.44Å; Y110-L113 PolarHBondContact O-N 3.39Å; D111-L113 VanDerWaalsContact C-N 3.3Å; L113-T117 HydrophobicContact CD2-CG2 4.42Å; L113-A118 HydrophobicContact CB-CB 4.14Å; L113-N262 WeakPolarHBondContact O-CB 3.28Å; L113-N262 PolarHBondContact O-ND2 3.43Å
114P91Very high91Very high4 Ų430 Ų303%0.02617%0.165CC..  trans-54.9154.8169.5-24.333.7000112.3Y73 F116 T117 A118Y73-P114 WeakPolarHBondContact O-CD 3.5Å; Y73-P114 WeakPolarHBondContact O-CG 3.36Å; P114-F116 PolarHBondContact O-N 2.9Å; P114-T117 WeakPolarHBondContact O-CB 3.2Å; P114-T117 PolarHBondContact O-N 2.82Å; P114-T117 VanDerWaalsContact O-N 3.16Å; P114-A118 WeakPolarHBondContact O-CB 3.4Å; P114-A118 PolarHBondContact O-N 3.36Å
115N90.5Very high91.1Very high0 Ų030.2 Ų30.20%017%0.166CC..Hα-helixtrans-61-44.4-170.6-70.83.6000111.7A118 A119 F259 N262 E270 Y274 E397N115-A118 PolarHBondContact O-N 3.2Å; N115-A119 WeakPolarHBondContact O-CB 3.17Å; N115-A119 PolarHBondContact O-N 3Å; N115-F259 HydrophobicContact CB-CE1 4.03Å; N115-F259 HydrophobicContact CB-CZ 3.96Å; N115-N262 VanDerWaalsContact OD1-C 3.25Å; N115-N262 VanDerWaalsContact OD1-CA 3.24Å; N115-N262 WeakPolarHBondContact OD1-CA 3.29Å; N115-N262 WeakPolarHBondContact OD1-CB 3.36Å; N115-N262 PolarHBondContact OD1-N 3.29Å; N115-N262 PolarHBondContact OD1-O 3.19Å; N115-N262 VanDerWaalsContact OD1-O 3.14Å; N115-E270 PolarHBondContact N-OE1 2.91Å; N115-Y274 WeakPolarHBondContact CB-OH 3.41Å; N115-Y274 PolarHBondContact ND2-OH 2.85Å; N115-E397 PolarHBondContact ND2-OE2 2.98Å; N115-E397 VanDerWaalsContact ND2-OE2 3.12Å
116F92.1Very high91.3Very high4 Ų428.7 Ų28.72%0.01816%0.16CC..Hα-helixtrans-70.4-35.5179.2-60.7-78.2000113L75 P114 D120 F259 E270 L273 Y274 F277 F307 L310 F312L75-F116 HydrophobicContact CD1-CB 4.27Å; L75-F116 WeakPolarHBondContact CD1-O 3.48Å; P114-F116 PolarHBondContact O-N 2.9Å; F116-D120 WeakPolarHBondContact O-CB 3.16Å; F116-D120 PolarHBondContact O-N 3.1Å; F116-F259 HydrophobicContact CE1-CE2 4.37Å; F116-E270 HydrophobicContact CD2-CB 4.47Å; F116-E270 HydrophobicContact CD2-CG 4Å; F116-E270 HydrophobicContact CE2-CG 4.08Å; F116-L273 HydrophobicContact CB-CD1 4.14Å; F116-L273 HydrophobicContact CD1-CD1 3.9Å; F116-L273 HydrophobicContact CD2-CB 4.22Å; F116-L273 HydrophobicContact CD2-CD1 3.45Å; F116-L273 VanDerWaalsContact CD2-CD1 3.45Å; F116-L273 HydrophobicContact CD2-CG 4.47Å; F116-L273 HydrophobicContact CE1-CB 4.28Å; F116-L273 HydrophobicContact CE1-CD1 4.17Å; F116-L273 HydrophobicContact CE2-CB 3.58Å; F116-L273 HydrophobicContact CE2-CD1 3.73Å; F116-L273 HydrophobicContact CE2-CG 4.3Å; F116-L273 HydrophobicContact CG-CD1 3.53Å; F116-L273 HydrophobicContact CZ-CB 3.62Å; F116-L273 HydrophobicContact CZ-CD1 4.09Å; F116-L273 HydrophobicContact CZ-CG 4.45Å; F116-Y274 HydrophobicContact CE2-CD2 4.41Å; F116-Y274 HydrophobicContact CE2-CE1 4.34Å; F116-Y274 HydrophobicContact CE2-CE2 4.02Å; F116-Y274 AromaticContact CE2-CZ 3.95Å; F116-Y274 HydrophobicContact CZ-CE1 4.35Å; F116-F277 AromaticContact CE1-CE2 3.76Å; F116-F277 HydrophobicContact CE1-CE2 3.76Å; F116-F277 AromaticContact CE1-CZ 3.74Å; F116-F277 HydrophobicContact CE1-CZ 3.74Å; F116-F277 HydrophobicContact CZ-CD2 4.21Å; F116-F277 AromaticContact CZ-CE2 3.65Å; F116-F277 HydrophobicContact CZ-CE2 3.65Å; F116-F277 HydrophobicContact CZ-CZ 4.08Å; F116-F307 HydrophobicContact CD1-CE1 4.46Å; F116-F307 HydrophobicContact CE1-CD1 4.23Å; F116-F307 AromaticContact CE1-CE1 3.67Å; F116-F307 HydrophobicContact CE1-CE1 3.67Å; F116-F307 HydrophobicContact CZ-CE1 4.08Å; F116-L310 HydrophobicContact CB-CD1 4.33Å; F116-L310 HydrophobicContact CD1-CD1 3.96Å; F116-F312 HydrophobicContact CD1-CD2 4.33Å; F116-F312 HydrophobicContact CD1-CE2 4.06Å; F116-F312 HydrophobicContact CE1-CD2 4.21Å; F116-F312 HydrophobicContact CE1-CE2 4.25Å
117T92.9Very high91.5Very high2 Ų225.4 Ų25.41%0.01214%0.139CC..Hα-helixtrans-63-46.4172.3-60.60000110.1Y73 L75 Y96 M99 L113 P114 D120 C121Y73-T117 PolarHBondContact O-OG1 3.26Å; L75-T117 WeakPolarHBondContact CA-OG1 3.22Å; L75-T117 PolarHBondContact N-OG1 2.92Å; L75-T117 VanDerWaalsContact N-OG1 3.17Å; Y96-T117 HydrophobicContact CD1-CG2 4.37Å; Y96-T117 HydrophobicContact CE1-CG2 3.95Å; M99-T117 HydrophobicContact CE-CG2 4.25Å; M99-T117 HydrophobicContact SD-CG2 3.76Å; L113-T117 HydrophobicContact CD2-CG2 4.42Å; P114-T117 WeakPolarHBondContact O-CB 3.2Å; P114-T117 PolarHBondContact O-N 2.82Å; P114-T117 VanDerWaalsContact O-N 3.16Å; T117-D120 PolarHBondContact O-N 3.28Å; T117-C121 PolarHBondContact O-N 3.03Å; T117-C121 PolarHBondContact O-SG 2.83Å; T117-C121 VanDerWaalsContact O-SG 3.38Å
118A92.8Very high91.8Very high0 Ų020.5 Ų20.50%012%0.118CC..Hα-helixtrans-65.2-38.9179.600000112.3Y110 L113 P114 N115 D120 C121 L122 V260 N262Y110-A118 HydrophobicContact CE1-CB 3.88Å; Y110-A118 PolarHBondContact OH-O 3.25Å; L113-A118 HydrophobicContact CB-CB 4.14Å; P114-A118 WeakPolarHBondContact O-CB 3.4Å; P114-A118 PolarHBondContact O-N 3.36Å; N115-A118 PolarHBondContact O-N 3.2Å; A118-D120 VanDerWaalsContact C-N 3.33Å; A118-C121 PolarHBondContact O-N 3.34Å; A118-L122 PolarHBondContact O-N 3.11Å; A118-V260 HydrophobicContact CB-CB 4.11Å; A118-V260 HydrophobicContact CB-CG1 3.67Å; A118-N262 WeakPolarHBondContact CB-ND2 3.46Å
119A92.3Very high91.7Very high10 Ų1021.7 Ų21.78%0.08312%0.12CC..Hα-helixtrans-61.1-41.8172.800000112N115 L122 R123 F312N115-A119 WeakPolarHBondContact O-CB 3.17Å; N115-A119 PolarHBondContact O-N 3Å; A119-L122 PolarHBondContact O-N 3.37Å; A119-R123 WeakPolarHBondContact O-CB 3.49Å; A119-R123 PolarHBondContact O-N 3.06Å; A119-F312 HydrophobicContact CB-CE2 3.95Å; A119-F312 HydrophobicContact CB-CZ 3.57Å
120D93.4Very high91.7Very high0 Ų023.9 Ų23.90%013%0.127CC..Hα-helixtrans-72.1-36.8179.6-150.611.8000112.3L75 Y78 Y96 F116 T117 A118 L122 R123 L124 L310L75-D120 HydrophobicContact CD1-CB 4.09Å; Y78-D120 VanDerWaalsContact CE2-OD2 3.22Å; Y78-D120 WeakPolarHBondContact CE2-OD2 3.28Å; Y78-D120 VanDerWaalsContact CZ-OD2 3.28Å; Y78-D120 VanDerWaalsContact OH-CG 3.22Å; Y78-D120 PolarHBondContact OH-OD1 2.98Å; Y78-D120 VanDerWaalsContact OH-OD1 3.12Å; Y78-D120 PolarHBondContact OH-OD2 2.85Å; Y96-D120 HydrophobicContact CE2-CB 3.87Å; Y96-D120 VanDerWaalsContact CE2-CG 3.49Å; Y96-D120 WeakPolarHBondContact CE2-OD2 3.34Å; Y96-D120 PolarHBondContact OH-OD2 3.45Å; F116-D120 WeakPolarHBondContact O-CB 3.16Å; F116-D120 PolarHBondContact O-N 3.1Å; T117-D120 PolarHBondContact O-N 3.28Å; A118-D120 VanDerWaalsContact C-N 3.33Å; D120-L122 VanDerWaalsContact C-N 3.35Å; D120-R123 PolarHBondContact O-N 2.96Å; D120-R123 IonicContact OD1-CZ 3.93Å; D120-R123 IonicContact OD1-NE 2.7Å; D120-R123 PolarHBondContact OD1-NE 2.92Å; D120-R123 IonicContact OD1-NH2 2.99Å; D120-R123 PolarHBondContact OD1-NH2 3.24Å; D120-L124 WeakPolarHBondContact O-CB 3.38Å; D120-L124 PolarHBondContact O-N 3.49Å; D120-L310 HydrophobicContact CB-CD2 3.72Å
121C93.9Very high91.7Very high0 Ų027.7 Ų27.70%015%0.145CC..Hα-helixtrans-57.7-46.9169.6-750000111.5T117 A118 R123 L124 L125T117-C121 PolarHBondContact O-N 3.03Å; T117-C121 PolarHBondContact O-SG 2.83Å; T117-C121 VanDerWaalsContact O-SG 3.38Å; A118-C121 PolarHBondContact O-N 3.34Å; C121-R123 VanDerWaalsContact C-N 3.34Å; C121-R123 PolarHBondContact O-N 3.47Å; C121-L124 PolarHBondContact O-N 3.39Å; C121-L125 HydrophobicContact CB-CD1 4.46Å; C121-L125 WeakPolarHBondContact O-CB 3.38Å; C121-L125 WeakPolarHBondContact O-CD1 3.38Å; C121-L125 PolarHBondContact O-N 3.4Å
122L92.8Very high91.9Very high57 Ų5726.9 Ų26.930%0.29814%0.14SC..Hα-helixtrans-61.8-43.8177.2178.861.8000111.2A118 A119 D120 G126 V260A118-L122 PolarHBondContact O-N 3.11Å; A119-L122 PolarHBondContact O-N 3.37Å; D120-L122 VanDerWaalsContact C-N 3.35Å; L122-G126 WeakPolarHBondContact O-CA 3.4Å; L122-G126 PolarHBondContact O-N 2.89Å; L122-V260 HydrophobicContact CB-CG2 4.36Å; L122-V260 HydrophobicContact CD2-CG2 3.69Å
123R91.8Very high92Very high69 Ų6927.7 Ų27.726%0.2614%0.14SC..Hα-helixtrans-63.2-41.6179.7-173.1-174.568.179.3-0.5113Y78 A119 D120 C121 I166 R309Y78-R123 PolarHBondContact OH-NH2 3.43Å; A119-R123 WeakPolarHBondContact O-CB 3.49Å; A119-R123 PolarHBondContact O-N 3.06Å; D120-R123 PolarHBondContact O-N 2.96Å; D120-R123 IonicContact OD1-CZ 3.93Å; D120-R123 IonicContact OD1-NE 2.7Å; D120-R123 PolarHBondContact OD1-NE 2.92Å; D120-R123 IonicContact OD1-NH2 2.99Å; D120-R123 PolarHBondContact OD1-NH2 3.24Å; C121-R123 VanDerWaalsContact C-N 3.34Å; C121-R123 PolarHBondContact O-N 3.47Å; R123-I166 WeakPolarHBondContact O-CD1 3.17Å; R123-R309 WeakPolarHBondContact CD-O 3.4Å
124L93.3Very high92.1Very high5 Ų533.5 Ų33.53%0.02617%0.166CC..Hα-helixtrans-91.7-37-173.1-73.6168.7000113.9Q92 Y96 D120 C121 P165 I166 Y234Q92-L124 HydrophobicContact CB-CD1 3.66Å; Y96-L124 HydrophobicContact CD2-CD1 3.56Å; Y96-L124 HydrophobicContact CE2-CD1 3.7Å; D120-L124 WeakPolarHBondContact O-CB 3.38Å; D120-L124 PolarHBondContact O-N 3.49Å; C121-L124 PolarHBondContact O-N 3.39Å; L124-P165 WeakPolarHBondContact O-CA 3.11Å; L124-I166 PolarHBondContact O-N 2.83Å; L124-Y234 WeakPolarHBondContact CD2-OH 3.47Å
125L93.9Very high92Very high7 Ų734.7 Ų34.74%0.03717%0.172CC..Hα-helixtrans-109-16.8-175.3-60.9101.1000113.5F93 R97 L100 C121 I127F93-L125 HydrophobicContact CD2-CD2 4.49Å; F93-L125 HydrophobicContact CD2-CG 4.12Å; F93-L125 HydrophobicContact CE2-CD2 4.06Å; F93-L125 HydrophobicContact CE2-CG 3.95Å; R97-L125 HydrophobicContact CB-CD2 3.95Å; R97-L125 HydrophobicContact CG-CD2 4.43Å; L100-L125 HydrophobicContact CD1-CD2 4.12Å; C121-L125 HydrophobicContact CB-CD1 4.46Å; C121-L125 WeakPolarHBondContact O-CB 3.38Å; C121-L125 WeakPolarHBondContact O-CD1 3.38Å; C121-L125 PolarHBondContact O-N 3.4Å; L125-I127 HydrophobicContact CB-CB 4.39Å; L125-I127 HydrophobicContact CB-CD1 3.94Å; L125-I127 HydrophobicContact CB-CG1 4.05Å; L125-I127 HydrophobicContact CD2-CD1 4.35Å; L125-I127 PolarHBondContact O-N 2.84Å
126G91.8Very high91.9Very high27 Ų2735.5 Ų35.528%0.27818%0.177SC..  trans75.315.3-175.900000112.7L122 I166L122-G126 WeakPolarHBondContact O-CA 3.4Å; L122-G126 PolarHBondContact O-N 2.89Å; G126-I166 VanDerWaalsContact N-CD1 3.25Å
127I91.9Very high91.8Very high8 Ų839.9 Ų39.94%0.04120%0.201CC..  trans-103.5103.6-176.3-60.2170.3000108.2L100 Y110 L125 Q131 L135 L161 P162L100-I127 HydrophobicContact CD1-CB 4.21Å; L100-I127 HydrophobicContact CD1-CD1 3.71Å; L100-I127 HydrophobicContact CD1-CG2 4.2Å; Y110-I127 PolarHBondContact OH-O 3.42Å; L125-I127 HydrophobicContact CB-CB 4.39Å; L125-I127 HydrophobicContact CB-CD1 3.94Å; L125-I127 HydrophobicContact CB-CG1 4.05Å; L125-I127 HydrophobicContact CD2-CD1 4.35Å; L125-I127 PolarHBondContact O-N 2.84Å; I127-Q131 HydrophobicContact CG2-CB 4.17Å; I127-L135 HydrophobicContact CD1-CD1 3.67Å; I127-L135 HydrophobicContact CG1-CD1 4.01Å; I127-L135 HydrophobicContact CG2-CD1 3.94Å; I127-L161 HydrophobicContact CD1-CD2 3.46Å; I127-L161 VanDerWaalsContact CD1-CD2 3.46Å; I127-P162 HydrophobicContact CD1-CG 4.45Å
128G91.2Very high91.5Very high6 Ų642.4 Ų42.46%0.06222%0.216CC..  trans-93.9-170.716400000111.3N130 Q131 Y132G128-N130 VanDerWaalsContact C-N 3.35Å; G128-N130 PolarHBondContact O-N 3.46Å; G128-Q131 VanDerWaalsContact N-OE1 3.08Å; G128-Q131 PolarHBondContact O-N 2.79Å; G128-Y132 WeakPolarHBondContact O-CB 3.5Å; G128-Y132 PolarHBondContact O-N 3.09Å
129R88.8Confident91Very high112 Ų11243 Ų4342%0.42322%0.219SC..Hα-helixtrans-55.5-45.5179.7-177.2-176.4-179.4132.615.2113.2Y110 D111 Y132 I133Y110-R129 HydrophobicContact CD1-CB 3.98Å; D111-R129 IonicContact OD1-CZ 3.2Å; D111-R129 IonicContact OD1-NE 2.85Å; D111-R129 IonicContact OD1-NH1 3.36Å; D111-R129 PolarHBondContact OD1-NH1 3.05Å; D111-R129 IonicContact OD1-NH2 2.86Å; D111-R129 PolarHBondContact OD1-NH2 3.2Å; D111-R129 IonicContact OD2-CZ 2.87Å; D111-R129 IonicContact OD2-NH1 3.79Å; D111-R129 PolarHBondContact OD2-NH1 3.29Å; D111-R129 IonicContact OD2-NH2 2.75Å; D111-R129 PolarHBondContact OD2-NH2 3.22Å; R129-Y132 PolarHBondContact O-N 3.42Å; R129-I133 HydrophobicContact CG-CD1 4.15Å; R129-I133 VanDerWaalsContact O-CG1 3.32Å; R129-I133 WeakPolarHBondContact O-CG1 3.33Å; R129-I133 PolarHBondContact O-N 3.35Å
130N89.8Confident90.6Very high104 Ų10446.4 Ų46.456%0.55623%0.232SC*.Hα-helixtrans-67.9-46.4-177-67.6-14.8000111.3G128 Y132 I133 E134G128-N130 VanDerWaalsContact C-N 3.35Å; G128-N130 PolarHBondContact O-N 3.46Å; N130-Y132 VanDerWaalsContact C-N 3.29Å; N130-Y132 PolarHBondContact O-N 2.85Å; N130-I133 PolarHBondContact O-N 3.03Å; N130-E134 PolarHBondContact O-N 2.79Å; N130-E134 VanDerWaalsContact O-N 3.08Å
131Q92.7Very high90.1Very high82 Ų8249.7 Ų49.738%0.38326%0.255SS..Hα-helixtrans-61-40.4175.6-66.476.221.500110.9I127 G128 I133 E134 L135I127-Q131 HydrophobicContact CG2-CB 4.17Å; G128-Q131 VanDerWaalsContact N-OE1 3.08Å; G128-Q131 PolarHBondContact O-N 2.79Å; Q131-I133 PolarHBondContact O-N 3.39Å; Q131-E134 PolarHBondContact O-N 3.46Å; Q131-L135 WeakPolarHBondContact O-CB 3.31Å; Q131-L135 WeakPolarHBondContact O-CG 3.25Å; Q131-L135 PolarHBondContact O-N 2.85Å
132Y93.8Very high89.4Confident8 Ų853.4 Ų53.43%0.03127%0.271CS..Hα-helixtrans-59.7-44.8175.2178.2-95.1000112.4L100 L103 I104 K108 Y110 G128 R129 N130 E134 L135 V136L100-Y132 HydrophobicContact CD2-CD2 4.35Å; L103-Y132 HydrophobicContact CB-CE2 4.39Å; L103-Y132 HydrophobicContact CD2-CD2 4.38Å; L103-Y132 HydrophobicContact CD2-CE2 3.59Å; L103-Y132 HydrophobicContact CG-CE2 4.19Å; L103-Y132 WeakPolarHBondContact CG-OH 3.38Å; L103-Y132 PolarHBondContact O-OH 2.88Å; I104-Y132 HydrophobicContact CD1-CE2 4.26Å; I104-Y132 HydrophobicContact CG1-CD2 4.22Å; I104-Y132 HydrophobicContact CG1-CE2 3.45Å; I104-Y132 VanDerWaalsContact CG1-CE2 3.45Å; K108-Y132 WeakPolarHBondContact O-CE1 3.4Å; K108-Y132 PolarHBondContact O-OH 3.21Å; Y110-Y132 HydrophobicContact CD2-CD1 4.11Å; Y110-Y132 AromaticContact CD2-CD2 3.81Å; Y110-Y132 HydrophobicContact CD2-CD2 3.81Å; Y110-Y132 AromaticContact CD2-CG 3.56Å; Y110-Y132 HydrophobicContact CD2-CG 3.56Å; Y110-Y132 HydrophobicContact CE2-CG 4.48Å; Y110-Y132 HydrophobicContact CG-CD1 4.33Å; Y110-Y132 HydrophobicContact CG-CG 4.18Å; G128-Y132 WeakPolarHBondContact O-CB 3.5Å; G128-Y132 PolarHBondContact O-N 3.09Å; R129-Y132 PolarHBondContact O-N 3.42Å; N130-Y132 VanDerWaalsContact C-N 3.29Å; N130-Y132 PolarHBondContact O-N 2.85Å; Y132-E134 VanDerWaalsContact C-N 3.33Å; Y132-E134 PolarHBondContact O-N 3.1Å; Y132-L135 WeakPolarHBondContact O-CB 3.25Å; Y132-L135 PolarHBondContact O-N 2.73Å; Y132-V136 HydrophobicContact CD1-CG2 4.01Å; Y132-V136 HydrophobicContact CD2-CG2 4.47Å; Y132-V136 HydrophobicContact CE1-CG2 3.53Å; Y132-V136 HydrophobicContact CE2-CG2 4.02Å; Y132-V136 HydrophobicContact CG-CG2 4.47Å; Y132-V136 WeakPolarHBondContact O-CG2 3.42Å; Y132-V136 PolarHBondContact O-N 3.45Å
133I90.9Very high88.6Confident77 Ų7753.4 Ų53.440%0.39527%0.271SS..Hα-helixtrans-61.3-43.5177.9-68.9164.6000110.6R129 N130 Q131 L135 V136 N137R129-I133 HydrophobicContact CG-CD1 4.15Å; R129-I133 VanDerWaalsContact O-CG1 3.32Å; R129-I133 WeakPolarHBondContact O-CG1 3.33Å; R129-I133 PolarHBondContact O-N 3.35Å; N130-I133 PolarHBondContact O-N 3.03Å; Q131-I133 PolarHBondContact O-N 3.39Å; I133-L135 PolarHBondContact O-N 3.46Å; I133-V136 PolarHBondContact O-N 3.26Å; I133-N137 WeakPolarHBondContact O-CB 3.48Å; I133-N137 PolarHBondContact O-N 2.95Å; I133-N137 PolarHBondContact O-ND2 2.63Å
134E91.6Very high87.7Confident121 Ų12155.4 Ų55.457%0.56530%0.296SS*.Hα-helixtrans-61-43.3175.8-69.9171.4-169.100112.1N130 Q131 Y132 N137 T138N130-E134 PolarHBondContact O-N 2.79Å; N130-E134 VanDerWaalsContact O-N 3.08Å; Q131-E134 PolarHBondContact O-N 3.46Å; Y132-E134 VanDerWaalsContact C-N 3.33Å; Y132-E134 PolarHBondContact O-N 3.1Å; E134-N137 PolarHBondContact O-N 3.02Å; E134-T138 WeakPolarHBondContact O-CB 3.34Å; E134-T138 PolarHBondContact O-N 3.4Å; E134-T138 PolarHBondContact O-OG1 3.36Å
135L90.4Very high86.6Confident29 Ų2959.3 Ų59.315%0.15232%0.323CS..Hα-helixtrans-62.4-44.9176.5-70.8167.8000112I104 I127 Q131 Y132 I133 T138 Y139 I160 L161I104-L135 HydrophobicContact CD1-CB 4.44Å; I127-L135 HydrophobicContact CD1-CD1 3.67Å; I127-L135 HydrophobicContact CG1-CD1 4.01Å; I127-L135 HydrophobicContact CG2-CD1 3.94Å; Q131-L135 WeakPolarHBondContact O-CB 3.31Å; Q131-L135 WeakPolarHBondContact O-CG 3.25Å; Q131-L135 PolarHBondContact O-N 2.85Å; Y132-L135 WeakPolarHBondContact O-CB 3.25Å; Y132-L135 PolarHBondContact O-N 2.73Å; I133-L135 PolarHBondContact O-N 3.46Å; L135-T138 WeakPolarHBondContact O-CB 3.38Å; L135-T138 PolarHBondContact O-N 3.33Å; L135-Y139 WeakPolarHBondContact O-CB 3.19Å; L135-Y139 PolarHBondContact O-N 3.15Å; L135-I160 HydrophobicContact CD2-CG2 3.35Å; L135-L161 HydrophobicContact CD1-CD2 3.89Å
136V88.5Confident85.1Confident17 Ų1761.9 Ų61.910%0.10334%0.336CS..Hα-helixtrans-63.9-42.6176.8171.70000111.1I104 Y132 I133 T138 Y139 K140I104-V136 HydrophobicContact CG1-CG2 4.06Å; I104-V136 HydrophobicContact CG2-CG2 4.26Å; Y132-V136 HydrophobicContact CD1-CG2 4.01Å; Y132-V136 HydrophobicContact CD2-CG2 4.47Å; Y132-V136 HydrophobicContact CE1-CG2 3.53Å; Y132-V136 HydrophobicContact CE2-CG2 4.02Å; Y132-V136 HydrophobicContact CG-CG2 4.47Å; Y132-V136 WeakPolarHBondContact O-CG2 3.42Å; Y132-V136 PolarHBondContact O-N 3.45Å; I133-V136 PolarHBondContact O-N 3.26Å; V136-T138 VanDerWaalsContact C-N 3.33Å; V136-T138 PolarHBondContact O-N 2.89Å; V136-Y139 PolarHBondContact O-N 2.93Å; V136-K140 HydrophobicContact CG1-CD 4.12Å; V136-K140 HydrophobicContact CG1-CG 4.4Å; V136-K140 WeakPolarHBondContact O-CB 3.34Å; V136-K140 WeakPolarHBondContact O-CG 3.28Å; V136-K140 PolarHBondContact O-N 3.15Å
137N88.5Confident83.7Confident97 Ų9762.8 Ų62.852%0.51935%0.345SS..Hα-helixtrans-63.2-42.1177.1-71.9-23.9000111.6I133 E134 K140 S141I133-N137 WeakPolarHBondContact O-CB 3.48Å; I133-N137 PolarHBondContact O-N 2.95Å; I133-N137 PolarHBondContact O-ND2 2.63Å; E134-N137 PolarHBondContact O-N 3.02Å; N137-K140 PolarHBondContact O-N 3.4Å; N137-S141 PolarHBondContact O-N 3.49Å
138T86.5Confident82.1Confident54 Ų5468.3 Ų68.333%0.33138%0.382SS..Hα-helixtrans-60.6-50174.9-59.60000110.4E134 L135 V136 K140 S141 F142 I160E134-T138 WeakPolarHBondContact O-CB 3.34Å; E134-T138 PolarHBondContact O-N 3.4Å; E134-T138 PolarHBondContact O-OG1 3.36Å; L135-T138 WeakPolarHBondContact O-CB 3.38Å; L135-T138 PolarHBondContact O-N 3.33Å; V136-T138 VanDerWaalsContact C-N 3.33Å; V136-T138 PolarHBondContact O-N 2.89Å; T138-K140 PolarHBondContact O-N 3.12Å; T138-S141 WeakPolarHBondContact O-CB 3.16Å; T138-S141 PolarHBondContact O-N 3.3Å; T138-S141 VanDerWaalsContact O-N 3.17Å; T138-S141 PolarHBondContact O-OG 3.3Å; T138-F142 HydrophobicContact CG2-CD2 3.84Å; T138-F142 HydrophobicContact CG2-CE2 3.41Å; T138-F142 VanDerWaalsContact CG2-CE2 3.41Å; T138-F142 HydrophobicContact CG2-CZ 4.49Å; T138-F142 WeakPolarHBondContact O-CD2 3.48Å; T138-F142 PolarHBondContact O-N 3.06Å; T138-F142 VanDerWaalsContact O-N 3.1Å; T138-I160 HydrophobicContact CG2-CD1 4.21Å
139Y83.9Confident80.9Confident14 Ų1473 Ų736%0.05541%0.406CS..Hα-helixtrans-58-45.5176.4174.6-108000112.9I104 L135 V136 S141 F142 L143 I153 L156 L157I104-Y139 HydrophobicContact CG2-CD1 3.6Å; I104-Y139 HydrophobicContact CG2-CD2 4.48Å; I104-Y139 HydrophobicContact CG2-CE1 4.03Å; I104-Y139 HydrophobicContact CG2-CG 3.83Å; L135-Y139 WeakPolarHBondContact O-CB 3.19Å; L135-Y139 PolarHBondContact O-N 3.15Å; V136-Y139 PolarHBondContact O-N 2.93Å; Y139-S141 VanDerWaalsContact C-N 3.31Å; Y139-S141 PolarHBondContact O-N 3.38Å; Y139-F142 PolarHBondContact O-N 3.01Å; Y139-F142 VanDerWaalsContact O-N 3.14Å; Y139-L143 HydrophobicContact CD1-CD1 3.93Å; Y139-L143 HydrophobicContact CD1-CG 4.41Å; Y139-L143 HydrophobicContact CE1-CD1 3.36Å; Y139-L143 HydrophobicContact CE1-CG 4.02Å; Y139-L143 HydrophobicContact CE2-CD1 4.41Å; Y139-L143 HydrophobicContact CE2-CD2 4.28Å; Y139-L143 HydrophobicContact CE2-CG 4.22Å; Y139-L143 PolarHBondContact O-N 2.95Å; Y139-I153 HydrophobicContact CE2-CG2 3.64Å; Y139-I153 WeakPolarHBondContact OH-CG2 3.36Å; Y139-L156 HydrophobicContact CD2-CD2 4.33Å; Y139-L157 HydrophobicContact CD2-CD1 4.39Å; Y139-L157 HydrophobicContact CD2-CD2 3.39Å; Y139-L157 HydrophobicContact CD2-CG 3.81Å; Y139-L157 HydrophobicContact CE2-CD1 3.8Å; Y139-L157 HydrophobicContact CE2-CD2 3.68Å; Y139-L157 HydrophobicContact CE2-CG 3.6Å; Y139-L157 HydrophobicContact CG-CD2 3.94Å
140K84.3Confident79.7Confident81 Ų8175.3 Ų75.335%0.35242%0.421SS..Hα-helixtrans-62.3-37.1175.9-74.7-177176.5-159.30112.9E107 V136 N137 T138 F142 L143 S144E107-K140 VanDerWaalsContact OE1-CE 3.32Å; E107-K140 WeakPolarHBondContact OE1-CE 3.16Å; E107-K140 IonicContact OE1-NZ 2.99Å; E107-K140 VanDerWaalsContact OE2-CE 3.29Å; E107-K140 WeakPolarHBondContact OE2-CE 3.31Å; E107-K140 IonicContact OE2-NZ 2.83Å; E107-K140 PolarHBondContact OE2-NZ 3.28Å; V136-K140 HydrophobicContact CG1-CD 4.12Å; V136-K140 HydrophobicContact CG1-CG 4.4Å; V136-K140 WeakPolarHBondContact O-CB 3.34Å; V136-K140 WeakPolarHBondContact O-CG 3.28Å; V136-K140 PolarHBondContact O-N 3.15Å; N137-K140 PolarHBondContact O-N 3.4Å; T138-K140 PolarHBondContact O-N 3.12Å; K140-F142 VanDerWaalsContact C-N 3.3Å; K140-F142 PolarHBondContact O-N 2.86Å; K140-L143 PolarHBondContact O-N 2.95Å; K140-S144 PolarHBondContact O-N 3.09Å; K140-S144 PolarHBondContact O-OG 2.84Å
141S82.1Confident78.6Confident69 Ų6977 Ų7748%0.48343%0.43SS..Hα-helixtrans-63.5-38.5175.179.60000111.5N137 T138 Y139 S144N137-S141 PolarHBondContact O-N 3.49Å; T138-S141 WeakPolarHBondContact O-CB 3.16Å; T138-S141 PolarHBondContact O-N 3.3Å; T138-S141 VanDerWaalsContact O-N 3.17Å; T138-S141 PolarHBondContact O-OG 3.3Å; Y139-S141 VanDerWaalsContact C-N 3.31Å; Y139-S141 PolarHBondContact O-N 3.38Å; S141-S144 PolarHBondContact O-N 3.13Å
142F78.1Confident77.4Confident77 Ų7778.4 Ų78.434%0.33844%0.437SS..Hα-helixtrans-72.9-40.4177-74.4-62.5000113.3T138 Y139 K140 S144 S145 I146 L156 I160T138-F142 HydrophobicContact CG2-CD2 3.84Å; T138-F142 HydrophobicContact CG2-CE2 3.41Å; T138-F142 VanDerWaalsContact CG2-CE2 3.41Å; T138-F142 HydrophobicContact CG2-CZ 4.49Å; T138-F142 WeakPolarHBondContact O-CD2 3.48Å; T138-F142 PolarHBondContact O-N 3.06Å; T138-F142 VanDerWaalsContact O-N 3.1Å; Y139-F142 PolarHBondContact O-N 3.01Å; Y139-F142 VanDerWaalsContact O-N 3.14Å; K140-F142 VanDerWaalsContact C-N 3.3Å; K140-F142 PolarHBondContact O-N 2.86Å; F142-S144 PolarHBondContact O-N 2.87Å; F142-S145 WeakPolarHBondContact CA-OG 3.47Å; F142-S145 CarbonylContact O-C 3.59Å; F142-S145 WeakPolarHBondContact O-CA 3.29Å; F142-S145 PolarHBondContact O-N 3.38Å; F142-S145 PolarHBondContact O-OG 2.97Å; F142-I146 PolarHBondContact O-N 3.27Å; F142-L156 HydrophobicContact CB-CD2 3.39Å; F142-L156 HydrophobicContact CD2-CD1 4.21Å; F142-L156 HydrophobicContact CD2-CD2 3.94Å; F142-L156 HydrophobicContact CE2-CD1 4.44Å; F142-L156 HydrophobicContact CG-CD1 4.29Å; F142-L156 HydrophobicContact CG-CD2 3.78Å; F142-I160 HydrophobicContact CD2-CD1 3.92Å; F142-I160 HydrophobicContact CE2-CD1 4.01Å
143L76.5Confident76.2Confident58 Ų5879.5 Ų79.530%0.30444%0.443SS..Hα-helixtrans-58.2-30.3173.8-75.2179.7000112.7Y139 K140 S145 I153Y139-L143 HydrophobicContact CD1-CD1 3.93Å; Y139-L143 HydrophobicContact CD1-CG 4.41Å; Y139-L143 HydrophobicContact CE1-CD1 3.36Å; Y139-L143 HydrophobicContact CE1-CG 4.02Å; Y139-L143 HydrophobicContact CE2-CD1 4.41Å; Y139-L143 HydrophobicContact CE2-CD2 4.28Å; Y139-L143 HydrophobicContact CE2-CG 4.22Å; Y139-L143 PolarHBondContact O-N 2.95Å; K140-L143 PolarHBondContact O-N 2.95Å; L143-S145 PolarHBondContact O-N 3.2Å; L143-I153 HydrophobicContact CD2-CD1 3.67Å; L143-I153 HydrophobicContact CD2-CG1 3.84Å; L143-I153 HydrophobicContact CD2-CG2 4.09Å
144S73.6Confident75.2Confident111 Ų11181.1 Ų81.178%0.77645%0.449SS*.THydrogen-bonded Turntrans-72.4-18175.2-560000112.7K140 S141 F142K140-S144 PolarHBondContact O-N 3.09Å; K140-S144 PolarHBondContact O-OG 2.84Å; S141-S144 PolarHBondContact O-N 3.13Å; F142-S144 PolarHBondContact O-N 2.87Å
145S70.2Confident74.4Confident86 Ų8676.9 Ų76.960%0.60144%0.438SS*.THydrogen-bonded Turntrans-104.4-25.2-176.568.80000114.5F142 L143F142-S145 WeakPolarHBondContact CA-OG 3.47Å; F142-S145 CarbonylContact O-C 3.59Å; F142-S145 WeakPolarHBondContact O-CA 3.29Å; F142-S145 PolarHBondContact O-N 3.38Å; F142-S145 PolarHBondContact O-OG 2.97Å; L143-S145 PolarHBondContact O-N 3.2Å
146I61.4Low73.8Confident62 Ų6276.9 Ų76.932%0.31844%0.438SS..SBendtrans-109.2139.5-175-62.3169.6000108.9F142 E152F142-I146 PolarHBondContact O-N 3.27Å; I146-E152 WeakPolarHBondContact CG2-OE2 3.49Å
147G63.9Low73.4Confident45 Ų4576.2 Ų76.246%0.46443%0.433SS..  trans-65.2178.9178.400000113.8D149G147-D149 PolarHBondContact O-N 2.9Å
148P57.8Low73.1Confident125 Ų12573.6 Ų73.681%0.81242%0.422SS*.SBendtrans-74.619.3-166.331.7-37.1000116.3E150P148-E150 PolarHBondContact O-N 2.99Å
149D65.4Low72.8Confident104 Ų10477.5 Ų77.556%0.55644%0.441SS*.  trans-78.6104.5-176.9-83.3-22.9000111.9G147 N151 E152 I153G147-D149 PolarHBondContact O-N 2.9Å; D149-N151 PolarHBondContact O-N 3.47Å; D149-N151 VanDerWaalsContact O-N 3.12Å; D149-E152 HydrophobicContact CB-CB 4.47Å; D149-E152 HydrophobicContact CB-CG 4.17Å; D149-E152 PolarHBondContact O-N 3.07Å; D149-I153 WeakPolarHBondContact O-CG1 3.43Å; D149-I153 PolarHBondContact O-N 2.95Å
150E64.3Low72.9Confident160 Ų16079 Ų7975%0.74845%0.45SS*.Hα-helixtrans-52.9-34.3-178.7-68.1-174.8164.400114P148 I153 Q154P148-E150 PolarHBondContact O-N 2.99Å; E150-I153 WeakPolarHBondContact O-CB 3.38Å; E150-I153 PolarHBondContact O-N 2.95Å; E150-Q154 PolarHBondContact O-N 2.93Å
151N66Low73.2Confident140 Ų14075.5 Ų75.575%0.74944%0.435SS*.Hα-helixtrans-68.9-37.4-179.9-69.1-31.2000112.3D149 I153 G155D149-N151 PolarHBondContact O-N 3.47Å; D149-N151 VanDerWaalsContact O-N 3.12Å; N151-I153 VanDerWaalsContact C-N 3.33Å; N151-G155 PolarHBondContact O-N 3.39Å; N151-G155 VanDerWaalsContact O-N 3.11Å
152E68.5Low73.5Confident111 Ų11174.4 Ų74.452%0.51943%0.426SS..Hα-helixtrans-69-37.8176.2-65.9-169.7162.400110.5I146 D149 G155 L156I146-E152 WeakPolarHBondContact CG2-OE2 3.49Å; D149-E152 HydrophobicContact CB-CB 4.47Å; D149-E152 HydrophobicContact CB-CG 4.17Å; D149-E152 PolarHBondContact O-N 3.07Å; E152-G155 PolarHBondContact O-N 3.26Å; E152-L156 WeakPolarHBondContact O-CB 3.49Å; E152-L156 PolarHBondContact O-N 3.22Å
153I67.8Low73.9Confident31 Ų3175.3 Ų75.316%0.15944%0.442CS..Hα-helixtrans-61.9-44.5177-63.8173.6000111.1Y139 L143 D149 E150 N151 L156 L157Y139-I153 HydrophobicContact CE2-CG2 3.64Å; Y139-I153 WeakPolarHBondContact OH-CG2 3.36Å; L143-I153 HydrophobicContact CD2-CD1 3.67Å; L143-I153 HydrophobicContact CD2-CG1 3.84Å; L143-I153 HydrophobicContact CD2-CG2 4.09Å; D149-I153 WeakPolarHBondContact O-CG1 3.43Å; D149-I153 PolarHBondContact O-N 2.95Å; E150-I153 WeakPolarHBondContact O-CB 3.38Å; E150-I153 PolarHBondContact O-N 2.95Å; N151-I153 VanDerWaalsContact C-N 3.33Å; I153-L156 PolarHBondContact O-N 2.85Å; I153-L157 PolarHBondContact O-N 3.25Å; I153-L157 VanDerWaalsContact O-N 3.14Å
154Q71.1Confident74.4Confident112 Ų11277.8 Ų77.852%0.52345%0.452SS..Hα-helixtrans-69.7-35.5178.5-166.5164.929.400112.2E150 C158E150-Q154 PolarHBondContact O-N 2.93Å; Q154-C158 PolarHBondContact O-N 2.8Å; Q154-C158 PolarHBondContact O-SG 3.29Å
155G74.2Confident75.2Confident32 Ų3273.2 Ų73.233%0.3342%0.419SS..Hα-helixtrans-60.2-46.5171.100000111.9N151 E152 L157 C158 D159N151-G155 PolarHBondContact O-N 3.39Å; N151-G155 VanDerWaalsContact O-N 3.11Å; E152-G155 PolarHBondContact O-N 3.26Å; G155-L157 PolarHBondContact O-N 2.92Å; G155-C158 WeakPolarHBondContact O-CA 3.46Å; G155-C158 VanDerWaalsContact O-CB 3.27Å; G155-C158 WeakPolarHBondContact O-CB 3.49Å; G155-C158 PolarHBondContact O-N 3.19Å; G155-D159 PolarHBondContact O-N 3.5Å
156L77.4Confident76.1Confident29 Ų2972.4 Ų72.415%0.15241%0.408CS..Hα-helixtrans-59.6-44.8178.5-178.972.4000112.5Y139 F142 E152 I153 C158 D159 I160Y139-L156 HydrophobicContact CD2-CD2 4.33Å; F142-L156 HydrophobicContact CB-CD2 3.39Å; F142-L156 HydrophobicContact CD2-CD1 4.21Å; F142-L156 HydrophobicContact CD2-CD2 3.94Å; F142-L156 HydrophobicContact CE2-CD1 4.44Å; F142-L156 HydrophobicContact CG-CD1 4.29Å; F142-L156 HydrophobicContact CG-CD2 3.78Å; E152-L156 WeakPolarHBondContact O-CB 3.49Å; E152-L156 PolarHBondContact O-N 3.22Å; I153-L156 PolarHBondContact O-N 2.85Å; L156-C158 PolarHBondContact O-N 3.39Å; L156-D159 PolarHBondContact O-N 3.19Å; L156-I160 HydrophobicContact CD1-CD1 4.04Å; L156-I160 HydrophobicContact CD1-CG1 4.28Å; L156-I160 HydrophobicContact CD2-CD1 4.19Å; L156-I160 HydrophobicContact CG-CD1 3.73Å; L156-I160 HydrophobicContact CG-CG1 4.32Å; L156-I160 WeakPolarHBondContact O-CG1 3.15Å; L156-I160 PolarHBondContact O-N 2.88Å
157L80.9Confident77.1Confident2 Ų273.4 Ų73.41%0.0141%0.414CS..Hα-helixtrans-62.7-33.2176.2-74.3172.9000112.2I101 I104 S105 Y139 I153 G155 D159 L161I101-L157 HydrophobicContact CG1-CB 4.36Å; I101-L157 HydrophobicContact CG2-CB 4.48Å; I101-L157 HydrophobicContact CG2-CD1 4.02Å; I104-L157 HydrophobicContact CB-CD2 4.21Å; I104-L157 HydrophobicContact CD1-CD2 4.29Å; I104-L157 HydrophobicContact CG2-CD2 3.64Å; S105-L157 WeakPolarHBondContact OG-CD1 3.42Å; Y139-L157 HydrophobicContact CD2-CD1 4.39Å; Y139-L157 HydrophobicContact CD2-CD2 3.39Å; Y139-L157 HydrophobicContact CD2-CG 3.81Å; Y139-L157 HydrophobicContact CE2-CD1 3.8Å; Y139-L157 HydrophobicContact CE2-CD2 3.68Å; Y139-L157 HydrophobicContact CE2-CG 3.6Å; Y139-L157 HydrophobicContact CG-CD2 3.94Å; I153-L157 PolarHBondContact O-N 3.25Å; I153-L157 VanDerWaalsContact O-N 3.14Å; G155-L157 PolarHBondContact O-N 2.92Å; L157-D159 VanDerWaalsContact C-N 3.27Å; L157-D159 PolarHBondContact O-N 3.29Å; L157-L161 WeakPolarHBondContact O-CB 3.45Å; L157-L161 WeakPolarHBondContact O-CG 3.38Å; L157-L161 PolarHBondContact O-N 3.05Å
158C81.3Confident78Confident42 Ų4279.8 Ų79.828%0.28443%0.429SS..Hα-helixtrans-66.7-30.8173.7-68.30000112.4R97 Q154 G155 L156R97-C158 PolarHBondContact NH2-O 3.19Å; Q154-C158 PolarHBondContact O-N 2.8Å; Q154-C158 PolarHBondContact O-SG 3.29Å; G155-C158 WeakPolarHBondContact O-CA 3.46Å; G155-C158 VanDerWaalsContact O-CB 3.27Å; G155-C158 WeakPolarHBondContact O-CB 3.49Å; G155-C158 PolarHBondContact O-N 3.19Å; L156-C158 PolarHBondContact O-N 3.39Å
159D81.6Confident79Confident137 Ų13775.3 Ų75.373%0.73340%0.399SS*.Hα-helixtrans-82.2-35.5-179.1-65.4-22.8000113G155 L156 L157G155-D159 PolarHBondContact O-N 3.5Å; L156-D159 PolarHBondContact O-N 3.19Å; L157-D159 VanDerWaalsContact C-N 3.27Å; L157-D159 PolarHBondContact O-N 3.29Å
160I84.5Confident79.9Confident46 Ų4675.6 Ų75.624%0.23640%0.399CS..Hα-helixtrans-76.7-36.6-179.5-59.6168.8000111L135 T138 F142 L156L135-I160 HydrophobicContact CD2-CG2 3.35Å; T138-I160 HydrophobicContact CG2-CD1 4.21Å; F142-I160 HydrophobicContact CD2-CD1 3.92Å; F142-I160 HydrophobicContact CE2-CD1 4.01Å; L156-I160 HydrophobicContact CD1-CD1 4.04Å; L156-I160 HydrophobicContact CD1-CG1 4.28Å; L156-I160 HydrophobicContact CD2-CD1 4.19Å; L156-I160 HydrophobicContact CG-CD1 3.73Å; L156-I160 HydrophobicContact CG-CG1 4.32Å; L156-I160 WeakPolarHBondContact O-CG1 3.15Å; L156-I160 PolarHBondContact O-N 2.88Å
161L90Very high81Confident6 Ų669 Ų693%0.03137%0.369CS..SBendtrans-78149.9178.7-71.4171.5000111.6R97 L100 I101 I104 I127 L135 L157 S163R97-L161 HydrophobicContact CG-CD1 4.41Å; L100-L161 HydrophobicContact CB-CD1 4.45Å; I101-L161 HydrophobicContact CD1-CD1 4.29Å; I101-L161 HydrophobicContact CG1-CD1 3.46Å; I101-L161 VanDerWaalsContact CG1-CD1 3.46Å; I104-L161 HydrophobicContact CD1-CD2 4.4Å; I127-L161 HydrophobicContact CD1-CD2 3.46Å; I127-L161 VanDerWaalsContact CD1-CD2 3.46Å; L135-L161 HydrophobicContact CD1-CD2 3.89Å; L157-L161 WeakPolarHBondContact O-CB 3.45Å; L157-L161 WeakPolarHBondContact O-CG 3.38Å; L157-L161 PolarHBondContact O-N 3.05Å; L161-S163 PolarHBondContact O-N 2.94Å
162P88.9Confident82.2Confident46 Ų4665.6 Ų65.630%0.29935%0.349SS..  trans-50.7138.9174.9-25.233000111.9F93 R97 I127F93-P162 HydrophobicContact CE2-CB 4.43Å; F93-P162 HydrophobicContact CZ-CB 4.36Å; F93-P162 WeakPolarHBondContact CZ-O 3.21Å; R97-P162 WeakPolarHBondContact CD-O 3.38Å; R97-P162 PolarHBondContact NE-O 3.08Å; R97-P162 VanDerWaalsContact NE-O 3.08Å; I127-P162 HydrophobicContact CD1-CG 4.45Å
163S86.5Confident83.1Confident96 Ų9663.3 Ų63.367%0.67134%0.344SS*.SBendtrans-89.8-18.8176.7590000113F93 L161F93-S163 WeakPolarHBondContact CE1-O 3.47Å; L161-S163 PolarHBondContact O-N 2.94Å
164Q87.9Confident84.2Confident110 Ų11064 Ų6451%0.51434%0.344SS..SBendtrans-135.4158.8178-67.9-177.9-7.800110.8F93F93-Q164 VanDerWaalsContact CE2-O 3.29Å; F93-Q164 WeakPolarHBondContact CE2-O 3.3Å; F93-Q164 WeakPolarHBondContact CZ-O 3.26Å
165P89.8Confident85.3Confident15 Ų1559.4 Ų59.410%0.09732%0.322CS..  trans-61.5161.6175.1-15.527.7000112.3F93 L124 D167 L235F93-P165 HydrophobicContact CB-CG 3.93Å; F93-P165 HydrophobicContact CD1-CG 4.37Å; F93-P165 HydrophobicContact CD2-CB 4Å; F93-P165 HydrophobicContact CD2-CG 3.86Å; F93-P165 HydrophobicContact CE2-CG 4.49Å; F93-P165 HydrophobicContact CG-CB 4.41Å; F93-P165 HydrophobicContact CG-CG 3.79Å; L124-P165 WeakPolarHBondContact O-CA 3.11Å; P165-D167 PolarHBondContact O-N 2.85Å; P165-L235 HydrophobicContact CB-CD2 4.08Å; P165-L235 HydrophobicContact CG-CD2 4.25Å
166I88.9Confident86.2Confident69 Ų6958.3 Ų58.335%0.35431%0.309SS..  trans-58.5131.6171.5-53.1173.8000109.6R123 L124 G126 K168 V169R123-I166 WeakPolarHBondContact O-CD1 3.17Å; L124-I166 PolarHBondContact O-N 2.83Å; G126-I166 VanDerWaalsContact N-CD1 3.25Å; I166-K168 HydrophobicContact CG2-CB 4.3Å; I166-K168 PolarHBondContact O-N 2.87Å; I166-V169 WeakPolarHBondContact O-CG2 3.41Å
167D82.4Confident87Confident84 Ų8457 Ų5745%0.44930%0.302SS..SBendtrans-64-25.9-175.9-169.424.1000113.2P165 V169 R231 L235P165-D167 PolarHBondContact O-N 2.85Å; D167-V169 PolarHBondContact O-N 2.85Å; D167-R231 VanDerWaalsContact C-NH2 3.33Å; D167-R231 PolarHBondContact O-NE 3.21Å; D167-R231 PolarHBondContact O-NH2 2.85Å; D167-R231 IonicContact OD1-CZ 3.17Å; D167-R231 IonicContact OD1-NE 3.37Å; D167-R231 PolarHBondContact OD1-NE 2.7Å; D167-R231 IonicContact OD1-NH2 3.67Å; D167-R231 PolarHBondContact OD1-NH2 3.43Å; D167-R231 IonicContact OD2-CZ 3.49Å; D167-R231 IonicContact OD2-NE 3.66Å; D167-R231 IonicContact OD2-NH2 2.95Å; D167-R231 PolarHBondContact OD2-NH2 3.2Å; D167-L235 WeakPolarHBondContact OD1-CD1 3.42Å
168K82.7Confident87.5Confident179 Ų17957.6 Ų57.678%0.77830%0.304SS*.  trans-76.663.5178.2-67.1-175.5179.3-179.60112.6I166I166-K168 HydrophobicContact CG2-CB 4.3Å; I166-K168 PolarHBondContact O-N 2.87Å
169V80Confident88Confident30 Ų3056 Ų5618%0.18229%0.293CS..  trans-77.6125.8177.9-173.30000110.3I166 D167 L171 Y234 L235 I241I166-V169 WeakPolarHBondContact O-CG2 3.41Å; D167-V169 PolarHBondContact O-N 2.85Å; V169-L171 HydrophobicContact CG1-CD2 3.86Å; V169-L171 HydrophobicContact CG1-CG 4.14Å; V169-L171 PolarHBondContact O-N 2.94Å; V169-Y234 HydrophobicContact CB-CD1 4.46Å; V169-Y234 HydrophobicContact CB-CE1 4.48Å; V169-Y234 HydrophobicContact CG1-CD1 4.01Å; V169-Y234 HydrophobicContact CG1-CE1 3.86Å; V169-Y234 HydrophobicContact CG2-CD1 3.71Å; V169-Y234 HydrophobicContact CG2-CE1 3.71Å; V169-L235 HydrophobicContact CG2-CD2 4.45Å; V169-I241 HydrophobicContact CG1-CD1 4.06Å
170I84.2Confident88.4Confident110 Ų11049.7 Ų49.756%0.56426%0.26SS*.  trans-78.1113.8174.3-57.9172.9000108.7E172I170-E172 HydrophobicContact CG2-CG 4.4Å
171L87.4Confident88.5Confident23 Ų2348.4 Ų48.412%0.1226%0.255CS..  trans-118.792.4178.8-63.4-179.9000109.8V169 V222 V230 R231 I241V169-L171 HydrophobicContact CG1-CD2 3.86Å; V169-L171 HydrophobicContact CG1-CG 4.14Å; V169-L171 PolarHBondContact O-N 2.94Å; L171-V222 HydrophobicContact CB-CG1 4.09Å; L171-V230 HydrophobicContact CD1-CB 4.41Å; L171-V230 HydrophobicContact CD1-CG1 3.96Å; L171-V230 HydrophobicContact CD2-CG1 4.45Å; L171-R231 HydrophobicContact CD1-CB 4.47Å; L171-I241 HydrophobicContact CD2-CD1 3.31Å; L171-I241 HydrophobicContact CD2-CG1 4.08Å
172E90.1Very high88.3Confident67 Ų6749.8 Ų49.831%0.31326%0.264SS..  trans-74146.5176-69.6-63.8152.400111.3I170 W174 Y175 V222I170-E172 HydrophobicContact CG2-CG 4.4Å; E172-W174 PolarHBondContact O-N 2.94Å; E172-Y175 HydrophobicContact CB-CD1 3.8Å; E172-Y175 HydrophobicContact CB-CD2 3.88Å; E172-Y175 HydrophobicContact CB-CE1 3.68Å; E172-Y175 HydrophobicContact CB-CE2 3.74Å; E172-Y175 HydrophobicContact CB-CG 3.9Å; E172-Y175 HydrophobicContact CG-CD2 4.46Å; E172-Y175 HydrophobicContact CG-CE1 3.97Å; E172-Y175 HydrophobicContact CG-CE2 3.82Å; E172-Y175 VanDerWaalsContact N-CD2 3.35Å; E172-Y175 WeakPolarHBondContact O-CB 3.43Å; E172-Y175 PolarHBondContact O-N 2.85Å; E172-V222 WeakPolarHBondContact O-CB 3.46Å
173P88.7Confident88.3Confident64 Ų6451.8 Ų51.842%0.41627%0.27SS..THydrogen-bonded Turntrans-57.9-27.5-176.1-25.234000114.7K223P173-K223 HydrophobicContact CB-CB 3.92Å; P173-K223 WeakPolarHBondContact O-CB 3.4Å; P173-K223 PolarHBondContact O-N 3.04Å; P173-K223 VanDerWaalsContact O-N 3.11Å
174W90.1Very high88.2Confident46 Ų4653.8 Ų53.817%0.17427%0.273CS..THydrogen-bonded Turntrans-92.1-2.8-177.565.5-88000114E172 L221 I243 P244 C308 K315E172-W174 PolarHBondContact O-N 2.94Å; W174-L221 WeakPolarHBondContact O-CD2 3.47Å; W174-I243 HydrophobicContact CH2-CG2 3.32Å; W174-I243 HydrophobicContact CZ2-CG2 4.29Å; W174-I243 HydrophobicContact CZ3-CG2 3.52Å; W174-P244 HydrophobicContact CE3-CG 4.26Å; W174-P244 HydrophobicContact CZ3-CG 4.38Å; W174-P244 VanDerWaalsContact CZ3-O 3.29Å; W174-P244 WeakPolarHBondContact CZ3-O 3.42Å; W174-C308 HydrophobicContact CH2-CB 4.32Å; W174-K315 HydrophobicContact CE3-CD 4.43Å; W174-K315 HydrophobicContact CH2-CB 4.23Å; W174-K315 HydrophobicContact CH2-CD 4.23Å; W174-K315 HydrophobicContact CZ2-CB 3.9Å; W174-K315 HydrophobicContact CZ2-CD 4.4Å; W174-K315 HydrophobicContact CZ3-CD 4.27Å
175Y93.9Very high88.2Confident14 Ų1451.8 Ų51.86%0.05527%0.271CS..  trans-69.8154.9173.2-67.4-8.2000110.9E172 L221 V222 I241 I243 C308E172-Y175 HydrophobicContact CB-CD1 3.8Å; E172-Y175 HydrophobicContact CB-CD2 3.88Å; E172-Y175 HydrophobicContact CB-CE1 3.68Å; E172-Y175 HydrophobicContact CB-CE2 3.74Å; E172-Y175 HydrophobicContact CB-CG 3.9Å; E172-Y175 HydrophobicContact CG-CD2 4.46Å; E172-Y175 HydrophobicContact CG-CE1 3.97Å; E172-Y175 HydrophobicContact CG-CE2 3.82Å; E172-Y175 VanDerWaalsContact N-CD2 3.35Å; E172-Y175 WeakPolarHBondContact O-CB 3.43Å; E172-Y175 PolarHBondContact O-N 2.85Å; Y175-L221 CarbonylContact O-C 3.59Å; Y175-L221 WeakPolarHBondContact O-CA 3.44Å; Y175-V222 WeakPolarHBondContact O-CG2 3.45Å; Y175-V222 PolarHBondContact O-N 3.42Å; Y175-I241 HydrophobicContact CD2-CG2 3.92Å; Y175-I241 HydrophobicContact CG-CG2 4.17Å; Y175-I243 HydrophobicContact CD1-CB 4.4Å; Y175-I243 HydrophobicContact CD1-CD1 4.35Å; Y175-I243 HydrophobicContact CD1-CG1 3.82Å; Y175-I243 HydrophobicContact CD1-CG2 4.14Å; Y175-I243 HydrophobicContact CD2-CG1 4.37Å; Y175-I243 HydrophobicContact CE1-CB 4.35Å; Y175-I243 HydrophobicContact CE1-CD1 3.82Å; Y175-I243 HydrophobicContact CE1-CG1 3.77Å; Y175-I243 HydrophobicContact CE1-CG2 3.79Å; Y175-I243 HydrophobicContact CE2-CD1 4.03Å; Y175-I243 HydrophobicContact CE2-CG1 4.35Å; Y175-I243 HydrophobicContact CG-CG1 4.13Å; Y175-C308 PolarHBondContact OH-O 2.98Å
176V93.2Very high88Confident10 Ų1053 Ų536%0.06128%0.276CS..EExtended strand (participates in β ladder)trans-110.7124.7-177.7177.20000109.5R178 P218 I220 L221 D242 P244V176-R178 HydrophobicContact CG1-CG 4.06Å; V176-P218 WeakPolarHBondContact CG1-O 3.43Å; V176-I220 CarbonylContact C-O 3.52Å; V176-I220 WeakPolarHBondContact CA-O 3.29Å; V176-L221 HydrophobicContact CG2-CD2 3.79Å; V176-D242 HydrophobicContact CB-CB 4.36Å; V176-D242 PolarHBondContact N-O 3.15Å; V176-D242 PolarHBondContact O-N 3.35Å; V176-P244 HydrophobicContact CG2-CG 3.81Å
177V94Very high87.9Confident0 Ų052.7 Ų52.70%028%0.275CS..EExtended strand (participates in β ladder)trans-89135.1173-173.90000108.9L201 G219 I220 V222 L225 V230 V239V177-L201 HydrophobicContact CB-CD2 4.17Å; V177-L201 HydrophobicContact CG1-CD1 3.93Å; V177-L201 HydrophobicContact CG1-CD2 4.02Å; V177-L201 WeakPolarHBondContact O-CD2 3.42Å; V177-G219 WeakPolarHBondContact O-CA 3.43Å; V177-I220 PolarHBondContact N-O 2.93Å; V177-I220 PolarHBondContact O-N 3.22Å; V177-I220 VanDerWaalsContact O-N 3.08Å; V177-V222 HydrophobicContact CG2-CG2 3.62Å; V177-L225 HydrophobicContact CB-CD1 3.76Å; V177-L225 HydrophobicContact CG1-CD1 4.27Å; V177-L225 HydrophobicContact CG2-CD1 3.75Å; V177-V230 HydrophobicContact CG1-CG1 4.36Å; V177-V230 HydrophobicContact CG2-CG1 3.75Å; V177-V230 HydrophobicContact CG2-CG2 4.11Å; V177-V239 HydrophobicContact CG1-CB 3.88Å; V177-V239 HydrophobicContact CG1-CG1 4.15Å; V177-V239 HydrophobicContact CG1-CG2 4.12Å
178R91.8Very high88.2Confident16 Ų1655.9 Ų55.96%0.0629%0.287CS..EExtended strand (participates in β ladder)trans-133.3152.7-178.5-61.4174.3171.9-69.3-0.7110.4V176 G180 S217 V239 Y240 D242V176-R178 HydrophobicContact CG1-CG 4.06Å; R178-G180 PolarHBondContact O-N 2.99Å; R178-S217 VanDerWaalsContact NH1-C 3.27Å; R178-S217 PolarHBondContact NH1-O 3.26Å; R178-S217 PolarHBondContact NH2-O 3.08Å; R178-V239 VanDerWaalsContact O-CA 3.31Å; R178-V239 WeakPolarHBondContact O-CA 3.25Å; R178-V239 WeakPolarHBondContact O-CB 3.17Å; R178-Y240 HydrophobicContact CB-CD1 4.29Å; R178-Y240 HydrophobicContact CB-CD2 3.83Å; R178-Y240 HydrophobicContact CB-CE1 3.88Å; R178-Y240 HydrophobicContact CB-CE2 3.51Å; R178-Y240 HydrophobicContact CB-CG 4.28Å; R178-Y240 VanDerWaalsContact CB-CZ 3.45Å; R178-Y240 WeakPolarHBondContact CD-OH 3.34Å; R178-Y240 HydrophobicContact CG-CD2 4.44Å; R178-Y240 HydrophobicContact CG-CE2 3.96Å; R178-Y240 PolarHBondContact N-O 3.36Å; R178-Y240 PolarHBondContact O-N 3.31Å; R178-D242 HydrophobicContact CG-CB 4.46Å; R178-D242 IonicContact CZ-OD2 3.97Å; R178-D242 VanDerWaalsContact NE-CB 3.31Å; R178-D242 IonicContact NE-OD2 2.97Å; R178-D242 PolarHBondContact NE-OD2 3.46Å; R178-D242 IonicContact NH2-OD2 2.71Å; R178-D242 PolarHBondContact NH2-OD2 2.99Å
179I91.1Very high88.4Confident8 Ų852.2 Ų52.24%0.04128%0.28CS..EExtended strand (participates in β ladder)trans-72.9131.6-178-158.262000110.6V182 I198 L201 I202 E205 V239 Y240I179-V182 HydrophobicContact CD1-CG2 3.64Å; I179-V182 HydrophobicContact CG1-CG2 3.99Å; I179-I198 HydrophobicContact CD1-CG1 4.36Å; I179-I198 HydrophobicContact CD1-CG2 4.12Å; I179-L201 HydrophobicContact CB-CB 4.43Å; I179-L201 HydrophobicContact CD1-CB 4.27Å; I179-L201 HydrophobicContact CD1-CD1 4.33Å; I179-I202 HydrophobicContact CG1-CG1 4.2Å; I179-E205 VanDerWaalsContact CG2-OE1 3.25Å; I179-E205 WeakPolarHBondContact CG2-OE1 3.23Å; I179-E205 VanDerWaalsContact CG2-OE2 3.22Å; I179-E205 WeakPolarHBondContact CG2-OE2 3.45Å; I179-V239 HydrophobicContact CD1-CG1 4.38Å; I179-Y240 WeakPolarHBondContact O-CD1 3.3Å; I179-Y240 WeakPolarHBondContact O-CE1 3.3Å
180G89.9Confident88.8Confident4 Ų451 Ų514%0.04127%0.273CS..  trans-84.6-147.217200000111.7R178 L238R178-G180 PolarHBondContact O-N 2.99Å; G180-L238 VanDerWaalsContact CA-O 3.23Å; G180-L238 WeakPolarHBondContact CA-O 3.26Å; G180-L238 PolarHBondContact N-O 2.86Å
181S86.5Confident89.2Confident20 Ų2049.6 Ų49.614%0.1427%0.269CS..  trans-92.9103.5172-167.80000109.1Q89Q89-S181 WeakPolarHBondContact CG-OG 3.39Å; Q89-S181 PolarHBondContact NE2-OG 3.28Å
182V87.3Confident89.3Confident34 Ų3453.8 Ų53.821%0.20629%0.292CS..  trans-102.7119176.3-177.50000109.4I179 D186 I187 I198 L238I179-V182 HydrophobicContact CD1-CG2 3.64Å; I179-V182 HydrophobicContact CG1-CG2 3.99Å; V182-D186 HydrophobicContact CG1-CB 4.21Å; V182-I187 HydrophobicContact CG1-CD1 4.21Å; V182-I187 HydrophobicContact CG1-CG1 3.74Å; V182-I198 HydrophobicContact CG1-CD1 4.37Å; V182-I198 HydrophobicContact CG1-CG2 4.4Å; V182-L238 HydrophobicContact CG2-CB 4.21Å; V182-L238 HydrophobicContact CG2-CD2 4.34Å
183M87.2Confident89.4Confident89 Ų8953.7 Ų53.744%0.43830%0.298SS..  trans-96.7164174.1-66-65.916900111.1S185 D186 I187M183-S185 PolarHBondContact O-N 3.48Å; M183-D186 WeakPolarHBondContact CA-OD2 3.27Å; M183-D186 WeakPolarHBondContact CB-OD2 3.27Å; M183-D186 PolarHBondContact N-OD2 3.11Å; M183-D186 WeakPolarHBondContact O-CB 3.41Å; M183-D186 PolarHBondContact O-N 3.19Å; M183-I187 PolarHBondContact O-N 3.23Å
184L85.3Confident89.6Confident138 Ų13851.7 Ų51.772%0.72328%0.284SS*.Hα-helixtrans-59.5-32.4177.5-67174.3000112.6D186 I187 Q188L184-D186 VanDerWaalsContact C-N 3.28Å; L184-D186 PolarHBondContact O-N 2.96Å; L184-I187 HydrophobicContact CD2-CD1 4.49Å; L184-I187 PolarHBondContact O-N 3.45Å; L184-Q188 WeakPolarHBondContact O-CG 3.43Å; L184-Q188 PolarHBondContact O-N 3.46Å
185S87.4Confident89.7Confident68 Ų6853.2 Ų53.248%0.47629%0.289SS..Hα-helixtrans-63.1-34173.849.80000112.8M183 Q188 T189M183-S185 PolarHBondContact O-N 3.48Å; S185-Q188 PolarHBondContact O-N 2.85Å; S185-T189 PolarHBondContact O-N 2.87Å; S185-T189 PolarHBondContact O-OG1 3.41Å; S185-T189 VanDerWaalsContact O-OG1 3.09Å
186D86.8Confident89.6Confident39 Ų3957.2 Ų57.221%0.20931%0.311CS..Hα-helixtrans-72.5-40.7-179.1-54.4-41.4000109.9V182 M183 L184 Q188 T189 S190 R236 L238V182-D186 HydrophobicContact CG1-CB 4.21Å; M183-D186 WeakPolarHBondContact CA-OD2 3.27Å; M183-D186 WeakPolarHBondContact CB-OD2 3.27Å; M183-D186 PolarHBondContact N-OD2 3.11Å; M183-D186 WeakPolarHBondContact O-CB 3.41Å; M183-D186 PolarHBondContact O-N 3.19Å; L184-D186 VanDerWaalsContact C-N 3.28Å; L184-D186 PolarHBondContact O-N 2.96Å; D186-Q188 VanDerWaalsContact C-N 3.3Å; D186-Q188 PolarHBondContact O-N 3.37Å; D186-T189 PolarHBondContact O-N 3.1Å; D186-T189 PolarHBondContact O-OG1 2.8Å; D186-S190 WeakPolarHBondContact O-CB 3.46Å; D186-S190 PolarHBondContact O-N 3.41Å; D186-S190 PolarHBondContact O-OG 3.43Å; D186-R236 PolarHBondContact O-NH2 3.4Å; D186-L238 HydrophobicContact CB-CD1 4.1Å; D186-L238 HydrophobicContact CB-CD2 3.71Å
187I86.3Confident89.6Confident64 Ų6457.1 Ų57.133%0.32831%0.31SS..Hα-helixtrans-63-38.3176.1-59.4173.5000111.1V182 M183 L184 T189 S190 R195V182-I187 HydrophobicContact CG1-CD1 4.21Å; V182-I187 HydrophobicContact CG1-CG1 3.74Å; M183-I187 PolarHBondContact O-N 3.23Å; L184-I187 HydrophobicContact CD2-CD1 4.49Å; L184-I187 PolarHBondContact O-N 3.45Å; I187-T189 VanDerWaalsContact C-N 3.31Å; I187-T189 PolarHBondContact O-N 3.03Å; I187-S190 PolarHBondContact O-N 3.47Å; I187-R195 HydrophobicContact CG2-CG 4.28Å; I187-R195 PolarHBondContact O-NE 2.89Å; I187-R195 PolarHBondContact O-NH2 3.42Å
188Q87.8Confident89.5Confident150 Ų15057.2 Ų57.270%0.70131%0.31SS*.Hα-helixtrans-64.6-34.9177.7-73.2172.51.300112.7L184 S185 D186 R195L184-Q188 WeakPolarHBondContact O-CG 3.43Å; L184-Q188 PolarHBondContact O-N 3.46Å; S185-Q188 PolarHBondContact O-N 2.85Å; D186-Q188 VanDerWaalsContact C-N 3.3Å; D186-Q188 PolarHBondContact O-N 3.37Å; Q188-R195 PolarHBondContact O-NH2 2.89Å
189T88.3Confident89.5Confident103 Ų10360.5 Ų60.563%0.63233%0.329SS*.Hα-helixtrans-89.4-17.5-179.251.30000113.7S185 D186 I187 R236S185-T189 PolarHBondContact O-N 2.87Å; S185-T189 PolarHBondContact O-OG1 3.41Å; S185-T189 VanDerWaalsContact O-OG1 3.09Å; D186-T189 PolarHBondContact O-N 3.1Å; D186-T189 PolarHBondContact O-OG1 2.8Å; I187-T189 VanDerWaalsContact C-N 3.31Å; I187-T189 PolarHBondContact O-N 3.03Å; T189-R236 PolarHBondContact OG1-NH2 3Å; T189-R236 VanDerWaalsContact OG1-NH2 3.12Å
190S88.3Confident89.5Confident5 Ų564.5 Ų64.54%0.03535%0.348CS..SBendtrans-74148.5178.4-67.60000113.5D186 I187 E194 R195 R236D186-S190 WeakPolarHBondContact O-CB 3.46Å; D186-S190 PolarHBondContact O-N 3.41Å; D186-S190 PolarHBondContact O-OG 3.43Å; I187-S190 PolarHBondContact O-N 3.47Å; S190-E194 WeakPolarHBondContact CA-OE2 3.4Å; S190-E194 WeakPolarHBondContact CB-OE2 3.47Å; S190-R195 PolarHBondContact O-NE 3.12Å; S190-R195 PolarHBondContact O-NH2 3.38Å; S190-R236 PolarHBondContact OG-NH1 3.31Å; S190-R236 PolarHBondContact OG-NH2 2.67Å; S190-R236 VanDerWaalsContact OG-NH2 3.13Å
191T91.9Very high89.5Confident79 Ų7964.4 Ų64.449%0.48535%0.346SS..  trans-68.7162.2171.161.50000111.6S193 E194 R195T191-S193 VanDerWaalsContact C-N 3.29Å; T191-S193 PolarHBondContact O-N 2.92Å; T191-E194 PolarHBondContact N-OE2 2.86Å; T191-E194 PolarHBondContact O-N 3.47Å; T191-E194 WeakPolarHBondContact OG1-CB 3.47Å; T191-E194 VanDerWaalsContact OG1-CG 3.29Å; T191-E194 WeakPolarHBondContact OG1-CG 3.43Å; T191-E194 PolarHBondContact OG1-N 3.44Å; T191-E194 PolarHBondContact OG1-OE2 2.97Å; T191-R195 WeakPolarHBondContact O-CG 3.3Å; T191-R195 PolarHBondContact O-N 3.26Å
192D90.5Very high89.5Confident111 Ų11165.8 Ų65.859%0.59435%0.351SS*.Hα-helixtrans-61.7-38.1179.5-64.7-33.8000112R195 I196D192-R195 PolarHBondContact O-N 3.34Å; D192-R195 IonicContact OD1-CZ 3.91Å; D192-R195 IonicContact OD1-NH1 3.2Å; D192-R195 PolarHBondContact OD1-NH1 3.19Å; D192-I196 VanDerWaalsContact O-CG1 3.29Å; D192-I196 WeakPolarHBondContact O-CG1 3.47Å; D192-I196 PolarHBondContact O-N 3.16Å
193S91.2Very high89.5Confident65 Ų6568.9 Ų68.946%0.45537%0.367SS..Hα-helixtrans-63.5-41.9175.4-41.20000112.5T191 I196 M197T191-S193 VanDerWaalsContact C-N 3.29Å; T191-S193 PolarHBondContact O-N 2.92Å; S193-I196 PolarHBondContact O-N 2.89Å; S193-M197 PolarHBondContact O-N 3.22Å; S193-M197 VanDerWaalsContact O-N 3.12Å
194E92.9Very high89.3Confident22 Ų2265.8 Ų65.810%0.10336%0.355CS..Hα-helixtrans-63.9-40.4174.4-79.5175136.600111.6S190 T191 M197 I198 I229 L233 R236S190-E194 WeakPolarHBondContact CA-OE2 3.4Å; S190-E194 WeakPolarHBondContact CB-OE2 3.47Å; T191-E194 PolarHBondContact N-OE2 2.86Å; T191-E194 PolarHBondContact O-N 3.47Å; T191-E194 WeakPolarHBondContact OG1-CB 3.47Å; T191-E194 VanDerWaalsContact OG1-CG 3.29Å; T191-E194 WeakPolarHBondContact OG1-CG 3.43Å; T191-E194 PolarHBondContact OG1-N 3.44Å; T191-E194 PolarHBondContact OG1-OE2 2.97Å; E194-M197 PolarHBondContact O-N 3.18Å; E194-I198 WeakPolarHBondContact O-CB 3.39Å; E194-I198 VanDerWaalsContact O-CG1 3.29Å; E194-I198 WeakPolarHBondContact O-CG1 3.13Å; E194-I198 PolarHBondContact O-N 3.29Å; E194-I229 HydrophobicContact CB-CG2 4.43Å; E194-I229 HydrophobicContact CG-CG2 3.84Å; E194-L233 HydrophobicContact CB-CD2 4Å; E194-L233 HydrophobicContact CG-CD2 3.83Å; E194-L233 HydrophobicContact CG-CG 4.17Å; E194-R236 IonicContact OE1-NH1 3.37Å; E194-R236 PolarHBondContact OE1-NH1 2.88Å; E194-R236 IonicContact OE2-NH1 2.83Å; E194-R236 PolarHBondContact OE2-NH1 3.45Å
195R92.3Very high88.9Confident79 Ų7959.8 Ų59.830%0.29832%0.323SS..Hα-helixtrans-62.4-45.8176.9-69.7173.4-173.8147.21.9111.4I187 Q188 S190 T191 D192 M197 I198 D199I187-R195 HydrophobicContact CG2-CG 4.28Å; I187-R195 PolarHBondContact O-NE 2.89Å; I187-R195 PolarHBondContact O-NH2 3.42Å; Q188-R195 PolarHBondContact O-NH2 2.89Å; S190-R195 PolarHBondContact O-NE 3.12Å; S190-R195 PolarHBondContact O-NH2 3.38Å; T191-R195 WeakPolarHBondContact O-CG 3.3Å; T191-R195 PolarHBondContact O-N 3.26Å; D192-R195 PolarHBondContact O-N 3.34Å; D192-R195 IonicContact OD1-CZ 3.91Å; D192-R195 IonicContact OD1-NH1 3.2Å; D192-R195 PolarHBondContact OD1-NH1 3.19Å; R195-M197 VanDerWaalsContact C-N 3.29Å; R195-M197 PolarHBondContact O-N 2.87Å; R195-I198 PolarHBondContact O-N 2.83Å; R195-D199 WeakPolarHBondContact O-CB 3.26Å; R195-D199 VanDerWaalsContact O-CG 3.31Å; R195-D199 PolarHBondContact O-N 2.86Å
196I92.3Very high88.1Confident98 Ų9862.5 Ų62.550%0.50333%0.326SS..Hα-helixtrans-58.3-43.5176.4-67.5163.8000110.6D192 S193 D199 Q200D192-I196 VanDerWaalsContact O-CG1 3.29Å; D192-I196 WeakPolarHBondContact O-CG1 3.47Å; D192-I196 PolarHBondContact O-N 3.16Å; S193-I196 PolarHBondContact O-N 2.89Å; I196-D199 PolarHBondContact O-N 3.37Å; I196-Q200 HydrophobicContact CG2-CG 4.49Å; I196-Q200 WeakPolarHBondContact O-CB 3.43Å; I196-Q200 VanDerWaalsContact O-CG 3.25Å; I196-Q200 WeakPolarHBondContact O-CG 3.43Å; I196-Q200 PolarHBondContact O-N 2.85Å
197M92.5Very high86.9Confident7 Ų764.3 Ų64.33%0.03435%0.347CS..Hα-helixtrans-67.3-40.5178-175.7175.5-68.600112.4S193 E194 R195 D199 Q200 L201 L225 D226 I229 V230 L233S193-M197 PolarHBondContact O-N 3.22Å; S193-M197 VanDerWaalsContact O-N 3.12Å; E194-M197 PolarHBondContact O-N 3.18Å; R195-M197 VanDerWaalsContact C-N 3.29Å; R195-M197 PolarHBondContact O-N 2.87Å; M197-D199 VanDerWaalsContact C-N 3.32Å; M197-Q200 PolarHBondContact O-N 2.87Å; M197-L201 HydrophobicContact CG-CD1 4.24Å; M197-L201 WeakPolarHBondContact O-CB 3.33Å; M197-L201 VanDerWaalsContact O-CG 3.3Å; M197-L201 WeakPolarHBondContact O-CG 3.48Å; M197-L201 PolarHBondContact O-N 3.16Å; M197-L225 HydrophobicContact CE-CB 3.99Å; M197-L225 HydrophobicContact CE-CD2 4.13Å; M197-L225 HydrophobicContact CG-CD2 4.22Å; M197-L225 HydrophobicContact SD-CD2 4.48Å; M197-D226 HydrophobicContact CE-CB 4.11Å; M197-I229 HydrophobicContact CB-CG2 4.22Å; M197-I229 HydrophobicContact CE-CB 3.6Å; M197-I229 HydrophobicContact CE-CD1 4.29Å; M197-I229 HydrophobicContact CE-CG1 4.49Å; M197-I229 HydrophobicContact CE-CG2 3.61Å; M197-I229 HydrophobicContact SD-CB 4.1Å; M197-I229 HydrophobicContact SD-CG2 3.63Å; M197-V230 HydrophobicContact CE-CG2 3.99Å; M197-V230 HydrophobicContact SD-CG2 3.56Å; M197-V230 VanDerWaalsContact SD-CG2 3.56Å; M197-L233 HydrophobicContact CB-CD1 4.38Å; M197-L233 HydrophobicContact CG-CD1 4.19Å; M197-L233 HydrophobicContact SD-CD1 3.85Å
198I92Very high85.2Confident2 Ų265.2 Ų65.21%0.0135%0.353CS..Hα-helixtrans-59.6-45.9174-74.2166.4000110.1I179 V182 E194 R195 L201 I202 L233I179-I198 HydrophobicContact CD1-CG1 4.36Å; I179-I198 HydrophobicContact CD1-CG2 4.12Å; V182-I198 HydrophobicContact CG1-CD1 4.37Å; V182-I198 HydrophobicContact CG1-CG2 4.4Å; E194-I198 WeakPolarHBondContact O-CB 3.39Å; E194-I198 VanDerWaalsContact O-CG1 3.29Å; E194-I198 WeakPolarHBondContact O-CG1 3.13Å; E194-I198 PolarHBondContact O-N 3.29Å; R195-I198 PolarHBondContact O-N 2.83Å; I198-L201 PolarHBondContact O-N 2.93Å; I198-I202 HydrophobicContact CG2-CD1 3.67Å; I198-I202 HydrophobicContact CG2-CG1 4.44Å; I198-I202 VanDerWaalsContact O-CG1 3.26Å; I198-I202 WeakPolarHBondContact O-CG1 3.46Å; I198-I202 PolarHBondContact O-N 2.99Å; I198-L233 HydrophobicContact CD1-CD2 3.96Å; I198-L233 HydrophobicContact CG1-CD1 4.16Å; I198-L233 HydrophobicContact CG1-CD2 4.28Å
199D91Very high83.3Confident86 Ų8663.4 Ų63.446%0.4635%0.348SS..Hα-helixtrans-63.3-44.1178.4-70.3-24000111.1R195 I196 M197 L201 I202 D203R195-D199 WeakPolarHBondContact O-CB 3.26Å; R195-D199 VanDerWaalsContact O-CG 3.31Å; R195-D199 PolarHBondContact O-N 2.86Å; I196-D199 PolarHBondContact O-N 3.37Å; M197-D199 VanDerWaalsContact C-N 3.32Å; D199-L201 VanDerWaalsContact C-N 3.34Å; D199-L201 PolarHBondContact O-N 2.93Å; D199-I202 PolarHBondContact O-N 2.86Å; D199-D203 WeakPolarHBondContact O-CB 3.46Å; D199-D203 PolarHBondContact O-N 2.74Å
200Q91Very high81.2Confident92 Ų9265.7 Ų65.743%0.4336%0.355SS..Hα-helixtrans-57.6-44.2173.8-75172.6-4.500112.4I196 M197 D203 A204 I220I196-Q200 HydrophobicContact CG2-CG 4.49Å; I196-Q200 WeakPolarHBondContact O-CB 3.43Å; I196-Q200 VanDerWaalsContact O-CG 3.25Å; I196-Q200 WeakPolarHBondContact O-CG 3.43Å; I196-Q200 PolarHBondContact O-N 2.85Å; M197-Q200 PolarHBondContact O-N 2.87Å; Q200-D203 PolarHBondContact O-N 3.49Å; Q200-A204 WeakPolarHBondContact O-CB 3.26Å; Q200-A204 PolarHBondContact O-N 3.07Å; Q200-I220 HydrophobicContact CB-CD1 4.11Å
201L90.3Very high79Confident1 Ų174.7 Ų74.71%0.00540%0.397CS..Hα-helixtrans-65.9-39.8177.8-72.4168.8000111.7V177 I179 M197 I198 D199 E205 I220 L225 V239V177-L201 HydrophobicContact CB-CD2 4.17Å; V177-L201 HydrophobicContact CG1-CD1 3.93Å; V177-L201 HydrophobicContact CG1-CD2 4.02Å; V177-L201 WeakPolarHBondContact O-CD2 3.42Å; I179-L201 HydrophobicContact CB-CB 4.43Å; I179-L201 HydrophobicContact CD1-CB 4.27Å; I179-L201 HydrophobicContact CD1-CD1 4.33Å; M197-L201 HydrophobicContact CG-CD1 4.24Å; M197-L201 WeakPolarHBondContact O-CB 3.33Å; M197-L201 VanDerWaalsContact O-CG 3.3Å; M197-L201 WeakPolarHBondContact O-CG 3.48Å; M197-L201 PolarHBondContact O-N 3.16Å; I198-L201 PolarHBondContact O-N 2.93Å; D199-L201 VanDerWaalsContact C-N 3.34Å; D199-L201 PolarHBondContact O-N 2.93Å; L201-E205 WeakPolarHBondContact O-CG 3.38Å; L201-E205 PolarHBondContact O-N 2.8Å; L201-I220 HydrophobicContact CD2-CB 4.11Å; L201-I220 HydrophobicContact CD2-CD1 3.9Å; L201-I220 HydrophobicContact CD2-CG1 3.99Å; L201-I220 HydrophobicContact CG-CD1 4.37Å; L201-L225 HydrophobicContact CD2-CD1 4.44Å; L201-V239 HydrophobicContact CD1-CG1 3.61Å
202I87.8Confident76.7Confident50 Ų5080 Ų8026%0.25642%0.416SS..Hα-helixtrans-65.6-42.8176.4-69.7166.3000110.8I179 I198 D199 E205 K206I179-I202 HydrophobicContact CG1-CG1 4.2Å; I198-I202 HydrophobicContact CG2-CD1 3.67Å; I198-I202 HydrophobicContact CG2-CG1 4.44Å; I198-I202 VanDerWaalsContact O-CG1 3.26Å; I198-I202 WeakPolarHBondContact O-CG1 3.46Å; I198-I202 PolarHBondContact O-N 2.99Å; D199-I202 PolarHBondContact O-N 2.86Å; I202-E205 PolarHBondContact O-N 2.91Å; I202-K206 HydrophobicContact CG2-CD 4.48Å; I202-K206 PolarHBondContact O-N 3.17Å; I202-K206 VanDerWaalsContact O-N 3.15Å
203D87Confident74.4Confident99 Ų9978.8 Ų78.853%0.52941%0.413SS..Hα-helixtrans-68.5-38-180-72.9-17.7000111.7D199 Q200 E205 K206 A207D199-D203 WeakPolarHBondContact O-CB 3.46Å; D199-D203 PolarHBondContact O-N 2.74Å; Q200-D203 PolarHBondContact O-N 3.49Å; D203-E205 PolarHBondContact O-N 3.42Å; D203-K206 PolarHBondContact O-N 2.8Å; D203-A207 PolarHBondContact O-N 2.89Å
204A83.4Confident72.4Confident23 Ų2382.7 Ų82.719%0.1943%0.429CS..Hα-helixtrans-63-28.8173.200000112.8Q200 P218 I220Q200-A204 WeakPolarHBondContact O-CB 3.26Å; Q200-A204 PolarHBondContact O-N 3.07Å; A204-P218 WeakPolarHBondContact O-CG 3.44Å; A204-I220 HydrophobicContact CB-CD1 3.93Å; A204-I220 HydrophobicContact CB-CG1 3.72Å
205E76.1Confident70.6Confident12 Ų1288.6 Ų88.66%0.05646%0.456CS..Hα-helixtrans-75-44.1173.5-71.2-166.916300112.6R86 I179 L201 I202 D203 A207 D208R86-E205 IonicContact CZ-OE2 2.72Å; R86-E205 IonicContact NH1-OE1 3.67Å; R86-E205 IonicContact NH1-OE2 3.5Å; R86-E205 PolarHBondContact NH1-OE2 2.74Å; R86-E205 IonicContact NH2-OE2 3.37Å; I179-E205 VanDerWaalsContact CG2-OE1 3.25Å; I179-E205 WeakPolarHBondContact CG2-OE1 3.23Å; I179-E205 VanDerWaalsContact CG2-OE2 3.22Å; I179-E205 WeakPolarHBondContact CG2-OE2 3.45Å; L201-E205 WeakPolarHBondContact O-CG 3.38Å; L201-E205 PolarHBondContact O-N 2.8Å; I202-E205 PolarHBondContact O-N 2.91Å; D203-E205 PolarHBondContact O-N 3.42Å; E205-A207 VanDerWaalsContact C-N 3.25Å; E205-A207 PolarHBondContact O-N 2.82Å; E205-D208 PolarHBondContact O-N 3.26Å
206K71.1Confident69.1Low125 Ų12587.9 Ų87.954%0.54346%0.46SS..Hα-helixtrans-66.1-26.6-177.2-72.7177.5-174.2162.50113.7I202 D203 D208 D209I202-K206 HydrophobicContact CG2-CD 4.48Å; I202-K206 PolarHBondContact O-N 3.17Å; I202-K206 VanDerWaalsContact O-N 3.15Å; D203-K206 PolarHBondContact O-N 2.8Å; K206-D208 PolarHBondContact O-N 2.92Å; K206-D208 VanDerWaalsContact O-N 3.1Å; K206-D209 PolarHBondContact O-N 2.85Å
207A60.1Low67.8Low77 Ų7784.7 Ų84.764%0.63645%0.447SS*.THydrogen-bonded Turntrans-57.9-2317900000113D203 E205D203-A207 PolarHBondContact O-N 2.89Å; E205-A207 VanDerWaalsContact C-N 3.25Å; E205-A207 PolarHBondContact O-N 2.82Å
208D52Low66.8Low84 Ų8487.2 Ų87.245%0.44946%0.464SS..THydrogen-bonded Turntrans-106.53.9-179.8-91.5-11.9000114.6E205 K206 L210 P218E205-D208 PolarHBondContact O-N 3.26Å; K206-D208 PolarHBondContact O-N 2.92Å; K206-D208 VanDerWaalsContact O-N 3.1Å; D208-L210 PolarHBondContact O-N 2.91Å; D208-P218 WeakPolarHBondContact OD2-CD 3.49Å; D208-P218 WeakPolarHBondContact OD2-CG 3.39Å
209D46.8Very low66.5Low112 Ų11287.8 Ų87.860%0.59947%0.47SS*.  trans-69.629.9177.8-78.2-28.8000113.4K206 E211K206-D209 PolarHBondContact O-N 2.85Å; D209-E211 WeakPolarHBondContact O-CG 3.35Å; D209-E211 PolarHBondContact O-N 2.91Å
210L44.6Very low66.5Low150 Ų15085.2 Ų85.279%0.78546%0.456SS*.  trans-7089.3159.9-71.6169.7000107.8D208 E212D208-L210 PolarHBondContact O-N 2.91Å; L210-E212 PolarHBondContact O-N 3.01Å
211E43.2Very low66.6Low194 Ų19483.4 Ų83.491%0.90745%0.449SS*.THydrogen-bonded Turntrans-46.714.7-162-61.3-175.813500120.7D209D209-E211 WeakPolarHBondContact O-CG 3.35Å; D209-E211 PolarHBondContact O-N 2.91Å
212E42.4Very low66.6Low191 Ų19183.4 Ų83.489%0.89345%0.449SS*.THydrogen-bonded Turntrans-122.9-5.5-175.4-73.3-169.2162.300116.7L210L210-E212 PolarHBondContact O-N 3.01Å
213T43.2Very low66.7Low85 Ų8587.4 Ų87.452%0.52147%0.465SS..  trans-100121.7172.947.40000110.9Q215T213-Q215 PolarHBondContact O-N 3.23Å
214N49Very low67Low148 Ų14887.7 Ų87.779%0.79147%0.466SS*.  trans-58.824.4168.4-88.8-35.6000114
215Q54.5Low67.4Low145 Ų14587.6 Ų87.668%0.67846%0.462SS*.PPolyproline II helixtrans-82.1135.9-175.3-72.6176.11300109.7T213T213-Q215 PolarHBondContact O-N 3.23Å
216V60.4Low68.1Low64 Ų6491 Ų9139%0.38848%0.481SS..PPolyproline II helixtrans-63.8139.8169.4-1750000107
217S65.1Low69.1Low31 Ų3192.4 Ų92.422%0.21748%0.483CS..PPolyproline II helixtrans-48.3162.3179.5-47.30000111.9R178R178-S217 VanDerWaalsContact NH1-C 3.27Å; R178-S217 PolarHBondContact NH1-O 3.26Å; R178-S217 PolarHBondContact NH2-O 3.08Å
218P72.2Confident70.6Confident61 Ų6194.3 Ų94.340%0.39648%0.482SS..  trans-76.9-29.1-178.826.4-27.9000111.9V176 A204 D208V176-P218 WeakPolarHBondContact CG1-O 3.43Å; A204-P218 WeakPolarHBondContact O-CG 3.44Å; D208-P218 WeakPolarHBondContact OD2-CD 3.49Å; D208-P218 WeakPolarHBondContact OD2-CG 3.39Å
219G84.5Confident72.5Confident14 Ų1491.8 Ų91.814%0.14447%0.468CS..  trans60.8-169.2-172.300000111.9V177V177-G219 WeakPolarHBondContact O-CA 3.43Å
220I91.6Very high74.7Confident32 Ų3286.5 Ų86.516%0.16444%0.44CS..EExtended strand (participates in β ladder)trans-126.1139.1177-55175.8000109.1V176 V177 Q200 L201 A204 D224 L225V176-I220 CarbonylContact C-O 3.52Å; V176-I220 WeakPolarHBondContact CA-O 3.29Å; V177-I220 PolarHBondContact N-O 2.93Å; V177-I220 PolarHBondContact O-N 3.22Å; V177-I220 VanDerWaalsContact O-N 3.08Å; Q200-I220 HydrophobicContact CB-CD1 4.11Å; L201-I220 HydrophobicContact CD2-CB 4.11Å; L201-I220 HydrophobicContact CD2-CD1 3.9Å; L201-I220 HydrophobicContact CD2-CG1 3.99Å; L201-I220 HydrophobicContact CG-CD1 4.37Å; A204-I220 HydrophobicContact CB-CD1 3.93Å; A204-I220 HydrophobicContact CB-CG1 3.72Å; I220-D224 HydrophobicContact CG2-CB 4.09Å; I220-L225 HydrophobicContact CB-CD1 4.05Å; I220-L225 HydrophobicContact CB-CD2 4.44Å; I220-L225 HydrophobicContact CB-CG 4.33Å; I220-L225 HydrophobicContact CD1-CD2 4.35Å; I220-L225 HydrophobicContact CG2-CD1 4.01Å; I220-L225 HydrophobicContact CG2-CD2 3.85Å; I220-L225 HydrophobicContact CG2-CG 3.73Å
221L92.5Very high77Confident54 Ų5482.9 Ų82.928%0.28342%0.416SS..EExtended strand (participates in β ladder)trans-69142.9178-66.7166.7000110.9W174 Y175 V176 K223 D224W174-L221 WeakPolarHBondContact O-CD2 3.47Å; Y175-L221 CarbonylContact O-C 3.59Å; Y175-L221 WeakPolarHBondContact O-CA 3.44Å; V176-L221 HydrophobicContact CG2-CD2 3.79Å; L221-K223 HydrophobicContact CB-CD 4.45Å; L221-K223 HydrophobicContact CB-CG 3.97Å; L221-K223 HydrophobicContact CD1-CD 4.22Å; L221-K223 PolarHBondContact O-N 2.97Å; L221-D224 PolarHBondContact O-N 2.89Å
222V91.9Very high79.3Confident1 Ų174.8 Ų74.81%0.00639%0.385CS..G310 helixtrans-56.1-35.8177.2168.60000111.7L171 E172 Y175 V177 D224 L225 R227L171-V222 HydrophobicContact CB-CG1 4.09Å; E172-V222 WeakPolarHBondContact O-CB 3.46Å; Y175-V222 WeakPolarHBondContact O-CG2 3.45Å; Y175-V222 PolarHBondContact O-N 3.42Å; V177-V222 HydrophobicContact CG2-CG2 3.62Å; V222-D224 PolarHBondContact O-N 3.06Å; V222-L225 PolarHBondContact O-N 2.95Å; V222-L225 VanDerWaalsContact O-N 3.13Å; V222-L225 VanDerWaalsContact O-O 3.08Å; V222-R227 HydrophobicContact CG1-CG 4.09Å
223K89.6Confident81.7Confident134 Ų13465.7 Ų65.758%0.58334%0.342SS*.G310 helixtrans-60.1-25.4177.975.5-175.9-170.8178.40113.8P173 L221P173-K223 HydrophobicContact CB-CB 3.92Å; P173-K223 WeakPolarHBondContact O-CB 3.4Å; P173-K223 PolarHBondContact O-N 3.04Å; P173-K223 VanDerWaalsContact O-N 3.11Å; L221-K223 HydrophobicContact CB-CD 4.45Å; L221-K223 HydrophobicContact CB-CG 3.97Å; L221-K223 HydrophobicContact CD1-CD 4.22Å; L221-K223 PolarHBondContact O-N 2.97Å
224D92Very high84Confident105 Ų10562.2 Ų62.256%0.56132%0.319SS*.G310 helixtrans-95.31.6-176.3-57.6-43.1000111.4I220 L221 V222I220-D224 HydrophobicContact CG2-CB 4.09Å; L221-D224 PolarHBondContact O-N 2.89Å; V222-D224 PolarHBondContact O-N 3.06Å
225L92.2Very high86Confident20 Ų2056.5 Ų56.511%0.10529%0.289CS..SBendtrans-123157.8-177.7-63.5175.5000111.5V177 M197 L201 I220 V222 R227 V230V177-L225 HydrophobicContact CB-CD1 3.76Å; V177-L225 HydrophobicContact CG1-CD1 4.27Å; V177-L225 HydrophobicContact CG2-CD1 3.75Å; M197-L225 HydrophobicContact CE-CB 3.99Å; M197-L225 HydrophobicContact CE-CD2 4.13Å; M197-L225 HydrophobicContact CG-CD2 4.22Å; M197-L225 HydrophobicContact SD-CD2 4.48Å; L201-L225 HydrophobicContact CD2-CD1 4.44Å; I220-L225 HydrophobicContact CB-CD1 4.05Å; I220-L225 HydrophobicContact CB-CD2 4.44Å; I220-L225 HydrophobicContact CB-CG 4.33Å; I220-L225 HydrophobicContact CD1-CD2 4.35Å; I220-L225 HydrophobicContact CG2-CD1 4.01Å; I220-L225 HydrophobicContact CG2-CD2 3.85Å; I220-L225 HydrophobicContact CG2-CG 3.73Å; V222-L225 PolarHBondContact O-N 2.95Å; V222-L225 VanDerWaalsContact O-N 3.13Å; V222-L225 VanDerWaalsContact O-O 3.08Å; L225-R227 PolarHBondContact O-N 3.39Å; L225-V230 HydrophobicContact CB-CG2 3.78Å; L225-V230 HydrophobicContact CD1-CG2 3.87Å; L225-V230 HydrophobicContact CG-CG2 4.49Å
226D92.3Very high87.7Confident83 Ų8353.6 Ų53.644%0.44427%0.272SS..  trans-72.2118.5170.1-170.8-33.9000110.4M197 D228 I229 V230M197-D226 HydrophobicContact CE-CB 4.11Å; D226-D228 VanDerWaalsContact C-N 3.31Å; D226-D228 PolarHBondContact O-N 2.92Å; D226-D228 PolarHBondContact OD1-N 2.96Å; D226-I229 HydrophobicContact CB-CB 4.19Å; D226-I229 HydrophobicContact CB-CD1 3.81Å; D226-I229 HydrophobicContact CB-CG1 3.92Å; D226-I229 PolarHBondContact O-N 2.79Å; D226-V230 VanDerWaalsContact O-CG2 3.31Å; D226-V230 WeakPolarHBondContact O-CG2 3.35Å; D226-V230 PolarHBondContact O-N 3.27Å
227R91.1Very high89.1Confident155 Ų15551.3 Ų51.359%0.58526%0.261SS*.Hα-helixtrans-63.6-33.3-176.4-67.8-169-71.7-173.2-3.3113.2V222 L225 R231V222-R227 HydrophobicContact CG1-CG 4.09Å; L225-R227 PolarHBondContact O-N 3.39Å; R227-R231 VanDerWaalsContact O-CB 3.25Å; R227-R231 WeakPolarHBondContact O-CB 3.36Å; R227-R231 PolarHBondContact O-N 2.73Å
228D91.3Very high90.3Very high118 Ų11850.1 Ų50.163%0.63125%0.252SS*.Hα-helixtrans-73.5-37.7-178.4-69.3-35.9000110.8D226 R231 G232D226-D228 VanDerWaalsContact C-N 3.31Å; D226-D228 PolarHBondContact O-N 2.92Å; D226-D228 PolarHBondContact OD1-N 2.96Å; D228-R231 PolarHBondContact O-N 3.22Å; D228-G232 PolarHBondContact O-N 3.45Å
229I92.5Very high91.3Very high30 Ų3047.3 Ų47.315%0.15423%0.234CC..Hα-helixtrans-68-46.4174.4-56.5179.4000110.4E194 M197 D226 R231 G232 L233E194-I229 HydrophobicContact CB-CG2 4.43Å; E194-I229 HydrophobicContact CG-CG2 3.84Å; M197-I229 HydrophobicContact CB-CG2 4.22Å; M197-I229 HydrophobicContact CE-CB 3.6Å; M197-I229 HydrophobicContact CE-CD1 4.29Å; M197-I229 HydrophobicContact CE-CG1 4.49Å; M197-I229 HydrophobicContact CE-CG2 3.61Å; M197-I229 HydrophobicContact SD-CB 4.1Å; M197-I229 HydrophobicContact SD-CG2 3.63Å; D226-I229 HydrophobicContact CB-CB 4.19Å; D226-I229 HydrophobicContact CB-CD1 3.81Å; D226-I229 HydrophobicContact CB-CG1 3.92Å; D226-I229 PolarHBondContact O-N 2.79Å; I229-R231 VanDerWaalsContact C-N 3.26Å; I229-R231 PolarHBondContact O-N 3.32Å; I229-G232 PolarHBondContact O-N 2.99Å; I229-L233 HydrophobicContact CG2-CD1 4.18Å; I229-L233 HydrophobicContact CG2-CG 4.43Å; I229-L233 WeakPolarHBondContact O-CG 3.23Å; I229-L233 PolarHBondContact O-N 3.15Å
230V92.9Very high91.7Very high1 Ų147.2 Ų47.21%0.00623%0.23CC..Hα-helixtrans-56.7-43.9176.21710000110.7L171 V177 M197 L225 D226 L233 Y234L171-V230 HydrophobicContact CD1-CB 4.41Å; L171-V230 HydrophobicContact CD1-CG1 3.96Å; L171-V230 HydrophobicContact CD2-CG1 4.45Å; V177-V230 HydrophobicContact CG1-CG1 4.36Å; V177-V230 HydrophobicContact CG2-CG1 3.75Å; V177-V230 HydrophobicContact CG2-CG2 4.11Å; M197-V230 HydrophobicContact CE-CG2 3.99Å; M197-V230 HydrophobicContact SD-CG2 3.56Å; M197-V230 VanDerWaalsContact SD-CG2 3.56Å; L225-V230 HydrophobicContact CB-CG2 3.78Å; L225-V230 HydrophobicContact CD1-CG2 3.87Å; L225-V230 HydrophobicContact CG-CG2 4.49Å; D226-V230 VanDerWaalsContact O-CG2 3.31Å; D226-V230 WeakPolarHBondContact O-CG2 3.35Å; D226-V230 PolarHBondContact O-N 3.27Å; V230-L233 PolarHBondContact O-N 3.03Å; V230-Y234 VanDerWaalsContact O-CB 3.26Å; V230-Y234 WeakPolarHBondContact O-CB 3.22Å; V230-Y234 PolarHBondContact O-N 3.05Å
231R92.4Very high91.7Very high75 Ų7546 Ų4628%0.28322%0.223SC..Hα-helixtrans-60.8-48.2176.7-177.9-176.7-176.7177.85.7111.7D167 L171 R227 D228 I229 L233 Y234 L235D167-R231 VanDerWaalsContact C-NH2 3.33Å; D167-R231 PolarHBondContact O-NE 3.21Å; D167-R231 PolarHBondContact O-NH2 2.85Å; D167-R231 IonicContact OD1-CZ 3.17Å; D167-R231 IonicContact OD1-NE 3.37Å; D167-R231 PolarHBondContact OD1-NE 2.7Å; D167-R231 IonicContact OD1-NH2 3.67Å; D167-R231 PolarHBondContact OD1-NH2 3.43Å; D167-R231 IonicContact OD2-CZ 3.49Å; D167-R231 IonicContact OD2-NE 3.66Å; D167-R231 IonicContact OD2-NH2 2.95Å; D167-R231 PolarHBondContact OD2-NH2 3.2Å; L171-R231 HydrophobicContact CD1-CB 4.47Å; R227-R231 VanDerWaalsContact O-CB 3.25Å; R227-R231 WeakPolarHBondContact O-CB 3.36Å; R227-R231 PolarHBondContact O-N 2.73Å; D228-R231 PolarHBondContact O-N 3.22Å; I229-R231 VanDerWaalsContact C-N 3.26Å; I229-R231 PolarHBondContact O-N 3.32Å; R231-L233 PolarHBondContact O-N 3.43Å; R231-Y234 PolarHBondContact O-N 2.63Å; R231-L235 HydrophobicContact CG-CD1 4.25Å; R231-L235 WeakPolarHBondContact O-CG 3.44Å; R231-L235 PolarHBondContact O-N 3.11Å
232G91.5Very high91.7Very high24 Ų2445.4 Ų45.425%0.24722%0.22CC..Hα-helixtrans-57.9-45.4176.800000112.9D228 I229 R236D228-G232 PolarHBondContact O-N 3.45Å; I229-G232 PolarHBondContact O-N 2.99Å; G232-R236 WeakPolarHBondContact O-CG 3.46Å; G232-R236 PolarHBondContact O-N 3.13Å
233L92.5Very high91.8Very high0 Ų045.5 Ų45.50%022%0.221CC..Hα-helixtrans-66-38176.4-67.7178.5000112.5E194 M197 I198 I229 V230 R231 R236 G237 L238 V239E194-L233 HydrophobicContact CB-CD2 4Å; E194-L233 HydrophobicContact CG-CD2 3.83Å; E194-L233 HydrophobicContact CG-CG 4.17Å; M197-L233 HydrophobicContact CB-CD1 4.38Å; M197-L233 HydrophobicContact CG-CD1 4.19Å; M197-L233 HydrophobicContact SD-CD1 3.85Å; I198-L233 HydrophobicContact CD1-CD2 3.96Å; I198-L233 HydrophobicContact CG1-CD1 4.16Å; I198-L233 HydrophobicContact CG1-CD2 4.28Å; I229-L233 HydrophobicContact CG2-CD1 4.18Å; I229-L233 HydrophobicContact CG2-CG 4.43Å; I229-L233 WeakPolarHBondContact O-CG 3.23Å; I229-L233 PolarHBondContact O-N 3.15Å; V230-L233 PolarHBondContact O-N 3.03Å; R231-L233 PolarHBondContact O-N 3.43Å; L233-R236 PolarHBondContact O-N 3.05Å; L233-G237 PolarHBondContact O-N 2.75Å; L233-L238 HydrophobicContact CB-CB 4.47Å; L233-L238 HydrophobicContact CD2-CB 4.3Å; L233-L238 HydrophobicContact CD2-CD1 3.86Å; L233-L238 PolarHBondContact O-N 2.85Å; L233-V239 HydrophobicContact CB-CB 4.43Å; L233-V239 HydrophobicContact CB-CG1 3.97Å; L233-V239 HydrophobicContact CB-CG2 3.68Å; L233-V239 HydrophobicContact CD1-CG1 4.07Å
234Y92.1Very high91.8Very high11 Ų1141.6 Ų41.64%0.04321%0.209CC..Hα-helixtrans-67-44179.6177.3-97.8000111.8L124 V169 V230 R231 R236 G237 I241L124-Y234 WeakPolarHBondContact CD2-OH 3.47Å; V169-Y234 HydrophobicContact CB-CD1 4.46Å; V169-Y234 HydrophobicContact CB-CE1 4.48Å; V169-Y234 HydrophobicContact CG1-CD1 4.01Å; V169-Y234 HydrophobicContact CG1-CE1 3.86Å; V169-Y234 HydrophobicContact CG2-CD1 3.71Å; V169-Y234 HydrophobicContact CG2-CE1 3.71Å; V230-Y234 VanDerWaalsContact O-CB 3.26Å; V230-Y234 WeakPolarHBondContact O-CB 3.22Å; V230-Y234 PolarHBondContact O-N 3.05Å; R231-Y234 PolarHBondContact O-N 2.63Å; Y234-R236 PolarHBondContact O-N 2.9Å; Y234-G237 WeakPolarHBondContact O-CA 3.37Å; Y234-G237 PolarHBondContact O-N 3.42Å; Y234-I241 HydrophobicContact CD2-CD1 3.67Å; Y234-I241 HydrophobicContact CD2-CG1 3.99Å; Y234-I241 HydrophobicContact CE2-CD1 3.66Å; Y234-I241 HydrophobicContact CE2-CG1 4.13Å; Y234-I241 HydrophobicContact CG-CD1 4.21Å
235L91.1Very high91.8Very high29 Ų2937.5 Ų37.515%0.15219%0.188CC..Hα-helixtrans-62.1-31.6177.5-68.6171.6000112.5P165 D167 V169 R231 G237P165-L235 HydrophobicContact CB-CD2 4.08Å; P165-L235 HydrophobicContact CG-CD2 4.25Å; D167-L235 WeakPolarHBondContact OD1-CD1 3.42Å; V169-L235 HydrophobicContact CG2-CD2 4.45Å; R231-L235 HydrophobicContact CG-CD1 4.25Å; R231-L235 WeakPolarHBondContact O-CG 3.44Å; R231-L235 PolarHBondContact O-N 3.11Å; L235-G237 VanDerWaalsContact C-N 3.29Å
236R90.4Very high91.8Very high84 Ų8438.8 Ų38.832%0.31720%0.198SC..THydrogen-bonded Turntrans-81.4-4.9173.7-67.2168.963.7-162.2-0.7113.4D186 T189 S190 E194 G232 L233 Y234 L238D186-R236 PolarHBondContact O-NH2 3.4Å; T189-R236 PolarHBondContact OG1-NH2 3Å; T189-R236 VanDerWaalsContact OG1-NH2 3.12Å; S190-R236 PolarHBondContact OG-NH1 3.31Å; S190-R236 PolarHBondContact OG-NH2 2.67Å; S190-R236 VanDerWaalsContact OG-NH2 3.13Å; E194-R236 IonicContact OE1-NH1 3.37Å; E194-R236 PolarHBondContact OE1-NH1 2.88Å; E194-R236 IonicContact OE2-NH1 2.83Å; E194-R236 PolarHBondContact OE2-NH1 3.45Å; G232-R236 WeakPolarHBondContact O-CG 3.46Å; G232-R236 PolarHBondContact O-N 3.13Å; L233-R236 PolarHBondContact O-N 3.05Å; Y234-R236 PolarHBondContact O-N 2.9Å; R236-L238 VanDerWaalsContact C-N 3.27Å; R236-L238 HydrophobicContact CB-CD1 4.17Å; R236-L238 HydrophobicContact CB-CG 3.95Å; R236-L238 PolarHBondContact O-N 3.02Å
237G89.1Confident91.8Very high16 Ų1636.9 Ų36.917%0.16519%0.191CC..THydrogen-bonded Turntrans72.615.3-178.900000114.7L233 Y234 L235L233-G237 PolarHBondContact O-N 2.75Å; Y234-G237 WeakPolarHBondContact O-CA 3.37Å; Y234-G237 PolarHBondContact O-N 3.42Å; L235-G237 VanDerWaalsContact C-N 3.29Å
238L91.5Very high91.9Very high5 Ų535.5 Ų35.53%0.02620%0.195CC..SBendtrans-82.7-20.2-177.7-60.6-178.5000112.9G180 V182 D186 L233 R236G180-L238 VanDerWaalsContact CA-O 3.23Å; G180-L238 WeakPolarHBondContact CA-O 3.26Å; G180-L238 PolarHBondContact N-O 2.86Å; V182-L238 HydrophobicContact CG2-CB 4.21Å; V182-L238 HydrophobicContact CG2-CD2 4.34Å; D186-L238 HydrophobicContact CB-CD1 4.1Å; D186-L238 HydrophobicContact CB-CD2 3.71Å; L233-L238 HydrophobicContact CB-CB 4.47Å; L233-L238 HydrophobicContact CD2-CB 4.3Å; L233-L238 HydrophobicContact CD2-CD1 3.86Å; L233-L238 PolarHBondContact O-N 2.85Å; R236-L238 VanDerWaalsContact C-N 3.27Å; R236-L238 HydrophobicContact CB-CD1 4.17Å; R236-L238 HydrophobicContact CB-CG 3.95Å; R236-L238 PolarHBondContact O-N 3.02Å
239V92.5Very high91.9Very high3 Ų330.8 Ų30.82%0.01817%0.17CC..EExtended strand (participates in β ladder)trans-131159.2173.2-610000110V177 R178 I179 L201 L233V177-V239 HydrophobicContact CG1-CB 3.88Å; V177-V239 HydrophobicContact CG1-CG1 4.15Å; V177-V239 HydrophobicContact CG1-CG2 4.12Å; R178-V239 VanDerWaalsContact O-CA 3.31Å; R178-V239 WeakPolarHBondContact O-CA 3.25Å; R178-V239 WeakPolarHBondContact O-CB 3.17Å; I179-V239 HydrophobicContact CD1-CG1 4.38Å; L201-V239 HydrophobicContact CD1-CG1 3.61Å; L233-V239 HydrophobicContact CB-CB 4.43Å; L233-V239 HydrophobicContact CB-CG1 3.97Å; L233-V239 HydrophobicContact CB-CG2 3.68Å; L233-V239 HydrophobicContact CD1-CG1 4.07Å
240Y92.8Very high91.9Very high12 Ų1232.2 Ų32.25%0.04718%0.175CC..EExtended strand (participates in β ladder)trans-133.2152.9173.870.9-104.4000111.2Q81 D82 V85 R178 I179Q81-Y240 HydrophobicContact CB-CE2 4.37Å; Q81-Y240 HydrophobicContact CG-CD2 3.79Å; Q81-Y240 HydrophobicContact CG-CE2 4.03Å; Q81-Y240 HydrophobicContact CG-CG 3.99Å; Q81-Y240 VanDerWaalsContact NE2-CB 3.25Å; Q81-Y240 VanDerWaalsContact NE2-CG 3.31Å; D82-Y240 WeakPolarHBondContact CA-OH 3.41Å; V85-Y240 HydrophobicContact CB-CD1 4Å; V85-Y240 HydrophobicContact CB-CE1 4.38Å; V85-Y240 HydrophobicContact CG1-CD1 3.89Å; V85-Y240 HydrophobicContact CG2-CD1 4.24Å; V85-Y240 HydrophobicContact CG2-CG 4.49Å; R178-Y240 HydrophobicContact CB-CD1 4.29Å; R178-Y240 HydrophobicContact CB-CD2 3.83Å; R178-Y240 HydrophobicContact CB-CE1 3.88Å; R178-Y240 HydrophobicContact CB-CE2 3.51Å; R178-Y240 HydrophobicContact CB-CG 4.28Å; R178-Y240 VanDerWaalsContact CB-CZ 3.45Å; R178-Y240 WeakPolarHBondContact CD-OH 3.34Å; R178-Y240 HydrophobicContact CG-CD2 4.44Å; R178-Y240 HydrophobicContact CG-CE2 3.96Å; R178-Y240 PolarHBondContact N-O 3.36Å; R178-Y240 PolarHBondContact O-N 3.31Å; I179-Y240 WeakPolarHBondContact O-CD1 3.3Å; I179-Y240 WeakPolarHBondContact O-CE1 3.3Å
241I92.5Very high91.8Very high7 Ų732.4 Ų32.44%0.03618%0.176CC..EExtended strand (participates in β ladder)trans-103.2127.3-174.2-57155.8000108.9Q81 V169 L171 Y175 Y234 R309Q81-I241 PolarHBondContact NE2-O 3.12Å; V169-I241 HydrophobicContact CG1-CD1 4.06Å; L171-I241 HydrophobicContact CD2-CD1 3.31Å; L171-I241 HydrophobicContact CD2-CG1 4.08Å; Y175-I241 HydrophobicContact CD2-CG2 3.92Å; Y175-I241 HydrophobicContact CG-CG2 4.17Å; Y234-I241 HydrophobicContact CD2-CD1 3.67Å; Y234-I241 HydrophobicContact CD2-CG1 3.99Å; Y234-I241 HydrophobicContact CE2-CD1 3.66Å; Y234-I241 HydrophobicContact CE2-CG1 4.13Å; Y234-I241 HydrophobicContact CG-CD1 4.21Å; I241-R309 VanDerWaalsContact O-CZ 3.29Å; I241-R309 PolarHBondContact O-NH1 3.37Å; I241-R309 PolarHBondContact O-NH2 3.47Å
242D92.1Very high91.6Very high40 Ų4030.2 Ų30.221%0.21417%0.172CC..EExtended strand (participates in β ladder)trans-107.8143.5172-17326.6000110.1V176 R178 P244V176-D242 HydrophobicContact CB-CB 4.36Å; V176-D242 PolarHBondContact N-O 3.15Å; V176-D242 PolarHBondContact O-N 3.35Å; R178-D242 HydrophobicContact CG-CB 4.46Å; R178-D242 IonicContact CZ-OD2 3.97Å; R178-D242 VanDerWaalsContact NE-CB 3.31Å; R178-D242 IonicContact NE-OD2 2.97Å; R178-D242 PolarHBondContact NE-OD2 3.46Å; R178-D242 IonicContact NH2-OD2 2.71Å; R178-D242 PolarHBondContact NH2-OD2 2.99Å; D242-P244 WeakPolarHBondContact O-CD 3.17Å
243I93.1Very high91.6Very high4 Ų430.1 Ų30.12%0.02117%0.167CC..  trans-119.893.1-175-62.3-178.4000106.9W174 Y175 V245 S305 C308 R309W174-I243 HydrophobicContact CH2-CG2 3.32Å; W174-I243 HydrophobicContact CZ2-CG2 4.29Å; W174-I243 HydrophobicContact CZ3-CG2 3.52Å; Y175-I243 HydrophobicContact CD1-CB 4.4Å; Y175-I243 HydrophobicContact CD1-CD1 4.35Å; Y175-I243 HydrophobicContact CD1-CG1 3.82Å; Y175-I243 HydrophobicContact CD1-CG2 4.14Å; Y175-I243 HydrophobicContact CD2-CG1 4.37Å; Y175-I243 HydrophobicContact CE1-CB 4.35Å; Y175-I243 HydrophobicContact CE1-CD1 3.82Å; Y175-I243 HydrophobicContact CE1-CG1 3.77Å; Y175-I243 HydrophobicContact CE1-CG2 3.79Å; Y175-I243 HydrophobicContact CE2-CD1 4.03Å; Y175-I243 HydrophobicContact CE2-CG1 4.35Å; Y175-I243 HydrophobicContact CG-CG1 4.13Å; I243-V245 PolarHBondContact O-N 3.44Å; I243-S305 WeakPolarHBondContact CB-OG 3.35Å; I243-S305 WeakPolarHBondContact O-CB 3.49Å; I243-S305 PolarHBondContact O-OG 2.98Å; I243-C308 HydrophobicContact CG2-CB 3.9Å; I243-R309 HydrophobicContact CD1-CB 3.53Å; I243-R309 HydrophobicContact CD1-CG 3.87Å
244P90.7Very high91.5Very high51 Ų5131.9 Ų31.933%0.33118%0.178SC..  trans-75.2125.9-171.830-35.8000111.4W174 V176 D242W174-P244 HydrophobicContact CE3-CG 4.26Å; W174-P244 HydrophobicContact CZ3-CG 4.38Å; W174-P244 VanDerWaalsContact CZ3-O 3.29Å; W174-P244 WeakPolarHBondContact CZ3-O 3.42Å; V176-P244 HydrophobicContact CG2-CG 3.81Å; D242-P244 WeakPolarHBondContact O-CD 3.17Å
245V92.1Very high91.5Very high20 Ų2032.8 Ų32.812%0.12119%0.185CC..  trans-117.8121.2175-177.70000109.7I243 D249 V286 K301 A304I243-V245 PolarHBondContact O-N 3.44Å; V245-D249 WeakPolarHBondContact CA-OD2 3.46Å; V245-D249 HydrophobicContact CG1-CB 4.16Å; V245-V286 HydrophobicContact CG1-CG2 3.85Å; V245-K301 HydrophobicContact CB-CB 4.42Å; V245-K301 HydrophobicContact CG1-CG 4.41Å; V245-K301 WeakPolarHBondContact O-CD 3.3Å; V245-A304 HydrophobicContact CG1-CB 3.95Å; V245-A304 HydrophobicContact CG2-CB 4.19Å
246S91.7Very high91.4Very high46 Ų4631.6 Ų31.632%0.32218%0.179SC..  trans-83.2168177.393.10000111.6D248 D249S246-D248 VanDerWaalsContact C-N 3.3Å; S246-D248 PolarHBondContact OG-N 2.9Å; S246-D249 PolarHBondContact N-OD2 3.47Å; S246-D249 PolarHBondContact OG-N 2.99Å; S246-D249 PolarHBondContact OG-OD1 3.49Å; S246-D249 PolarHBondContact OG-OD2 3.29Å
247C92.1Very high91Very high44 Ų4432.2 Ų32.230%0.29719%0.185SC..SBendtrans-67.3-33176.5-68.20000112.6V286 S287 K301C247-V286 PolarHBondContact O-N 3.44Å; C247-S287 PolarHBondContact O-N 3.38Å; C247-S287 PolarHBondContact O-OG 3.2Å; C247-K301 WeakPolarHBondContact SG-CE 3.39Å; C247-K301 PolarHBondContact SG-NZ 3.25Å
248D91.9Very high90.4Very high125 Ų12534.5 Ų34.567%0.66821%0.209SC*.SBendtrans-93.8-4.9-172.5-53.5-44.7000112.2S246S246-D248 VanDerWaalsContact C-N 3.3Å; S246-D248 PolarHBondContact OG-N 2.9Å
249D92.5Very high90.1Very high19 Ų1935.1 Ų35.110%0.10221%0.211CC..  trans-61.6143.6174.7-71.1-9.1000110.4V245 S246 S285 V286 K315V245-D249 WeakPolarHBondContact CA-OD2 3.46Å; V245-D249 HydrophobicContact CG1-CB 4.16Å; S246-D249 PolarHBondContact N-OD2 3.47Å; S246-D249 PolarHBondContact OG-N 2.99Å; S246-D249 PolarHBondContact OG-OD1 3.49Å; S246-D249 PolarHBondContact OG-OD2 3.29Å; D249-S285 CarbonylContact O-C 3.6Å; D249-S285 WeakPolarHBondContact O-CA 3.4Å; D249-V286 WeakPolarHBondContact O-CG2 3.33Å; D249-V286 PolarHBondContact O-N 3.42Å; D249-K315 WeakPolarHBondContact OD1-CE 3.29Å; D249-K315 IonicContact OD1-NZ 3.72Å; D249-K315 PolarHBondContact OD1-NZ 3.25Å; D249-K315 VanDerWaalsContact OD2-CE 3.24Å; D249-K315 WeakPolarHBondContact OD2-CE 3.24Å; D249-K315 IonicContact OD2-NZ 3.43Å; D249-K315 PolarHBondContact OD2-NZ 2.89Å
250K91.8Very high89.7Confident61 Ų6135.9 Ų35.927%0.26522%0.216SC..BIsolated β-bridgetrans-113.5137172.1-54.8-171.7-177.5-165.20108.7E282 N283 R316K250-E282 WeakPolarHBondContact CD-O 3.46Å; K250-N283 WeakPolarHBondContact CE-O 3.19Å; K250-N283 PolarHBondContact NZ-O 2.81Å; K250-R316 HydrophobicContact CB-CB 4.36Å; K250-R316 PolarHBondContact O-N 2.93Å
251I90.6Very high89.1Confident5 Ų538.6 Ų38.63%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-114.6142.1179.159.8170.1000109.9A280 A304 Q314I251-A280 HydrophobicContact CD1-CB 4.41Å; I251-A280 HydrophobicContact CG1-CB 4.49Å; I251-A304 HydrophobicContact CD1-CB 4.04Å; I251-A304 HydrophobicContact CG2-CB 4.22Å; I251-Q314 WeakPolarHBondContact CA-O 3.23Å
252C90.1Very high88.6Confident28 Ų2839.2 Ų39.219%0.18923%0.233CC..EExtended strand (participates in β ladder)trans-119.6141.217060.90000109.6P254 E282 A313 Q314C252-P254 WeakPolarHBondContact O-CD 3.29Å; C252-E282 HydrophobicContact CB-CB 4.18Å; C252-A313 VanDerWaalsContact O-CA 3.3Å; C252-A313 WeakPolarHBondContact O-CA 3.44Å; C252-Q314 PolarHBondContact N-O 2.81Å; C252-Q314 PolarHBondContact O-N 2.83Å
253V91.3Very high87.6Confident23 Ų2346.8 Ų46.814%0.13926%0.259CS..  trans-100.8104.9176.3178.40000107.6L256 F277 A280 V398V253-L256 HydrophobicContact CG1-CD2 4.33Å; V253-F277 HydrophobicContact CG2-CD1 4.37Å; V253-A280 HydrophobicContact CG2-CB 4.37Å; V253-V398 HydrophobicContact CG1-CG1 3.96Å; V253-V398 HydrophobicContact CG1-CG2 3.86Å
254P90.1Very high86.3Confident37 Ų3751 Ų5124%0.2428%0.281CS..  trans-70.7176.7173.231.7-36.3000111C252 L256 F312C252-P254 WeakPolarHBondContact O-CD 3.29Å; P254-L256 PolarHBondContact O-N 3.34Å; P254-F312 WeakPolarHBondContact CD-O 2.98Å
255T90.8Very high84.9Confident30 Ų3051.7 Ų51.718%0.18429%0.286CS..  trans-58.2126.6169.8-60.90000109.7E257 P390 H391 S405T255-E257 PolarHBondContact O-N 3.46Å; T255-P390 HydrophobicContact CG2-CB 3.71Å; T255-H391 WeakPolarHBondContact CG2-ND1 3.46Å; T255-H391 PolarHBondContact OG1-CE1 2.9Å; T255-H391 PolarHBondContact OG1-ND1 3.32Å; T255-S405 PolarHBondContact OG1-OG 3.28Å
256L89.6Confident83.6Confident4 Ų451.9 Ų51.92%0.02129%0.292CS..  trans-73123.5-178.5-60.2-176.3000110.8V253 P254 F259 F312 P390 T394 E397 V398V253-L256 HydrophobicContact CG1-CD2 4.33Å; P254-L256 PolarHBondContact O-N 3.34Å; L256-F259 HydrophobicContact CB-CB 4.2Å; L256-F259 HydrophobicContact CD1-CB 4.29Å; L256-F259 HydrophobicContact CD1-CD2 3.74Å; L256-F259 HydrophobicContact CD1-CE2 4.25Å; L256-F259 HydrophobicContact CD1-CG 4.04Å; L256-F312 HydrophobicContact CD2-CB 3.94Å; L256-F312 HydrophobicContact CD2-CD1 3.86Å; L256-F312 HydrophobicContact CD2-CG 4.11Å; L256-P390 WeakPolarHBondContact O-CB 3.42Å; L256-T394 HydrophobicContact CG-CG2 4.38Å; L256-T394 PolarHBondContact N-OG1 3Å; L256-E397 HydrophobicContact CD1-CB 4.39Å; L256-V398 HydrophobicContact CD1-CG2 3.51Å; L256-V398 HydrophobicContact CD2-CG2 4.42Å; L256-V398 HydrophobicContact CG-CG2 3.93Å
257E81.6Confident82.9Confident96 Ų9650.4 Ų50.445%0.44928%0.281SS..SBendtrans-107.1134.4171.3-65.9-168.7171.200110.4T255 F259 I329T255-E257 PolarHBondContact O-N 3.46Å; E257-F259 PolarHBondContact O-N 3.45Å; E257-I329 HydrophobicContact CB-CD1 4.4Å
258G77.3Confident82.2Confident65 Ų6551.3 Ų51.367%0.6728%0.282SS*.SBendtrans66.816.7174.900000115.8
259F85.5Confident81.8Confident18 Ų1846.8 Ų46.88%0.07926%0.256CS..  trans-62.5135.7179.3-170.1-88000111.9N115 F116 L256 E257 M261 F277 F312 V393 E397N115-F259 HydrophobicContact CB-CE1 4.03Å; N115-F259 HydrophobicContact CB-CZ 3.96Å; F116-F259 HydrophobicContact CE1-CE2 4.37Å; L256-F259 HydrophobicContact CB-CB 4.2Å; L256-F259 HydrophobicContact CD1-CB 4.29Å; L256-F259 HydrophobicContact CD1-CD2 3.74Å; L256-F259 HydrophobicContact CD1-CE2 4.25Å; L256-F259 HydrophobicContact CD1-CG 4.04Å; E257-F259 PolarHBondContact O-N 3.45Å; F259-M261 HydrophobicContact CD1-CG 3.74Å; F259-M261 HydrophobicContact CE1-CG 4.15Å; F259-F277 HydrophobicContact CE2-CE2 4.38Å; F259-F312 HydrophobicContact CD2-CD1 4.18Å; F259-F312 HydrophobicContact CD2-CD2 4.34Å; F259-F312 AromaticContact CD2-CE1 3.57Å; F259-F312 HydrophobicContact CD2-CE1 3.57Å; F259-F312 AromaticContact CD2-CE2 3.73Å; F259-F312 HydrophobicContact CD2-CE2 3.73Å; F259-F312 AromaticContact CD2-CZ 3.29Å; F259-F312 HydrophobicContact CD2-CZ 3.29Å; F259-F312 HydrophobicContact CE2-CD2 4.08Å; F259-F312 HydrophobicContact CE2-CE1 4.23Å; F259-F312 AromaticContact CE2-CE2 3.5Å; F259-F312 HydrophobicContact CE2-CE2 3.5Å; F259-F312 VanDerWaalsContact CE2-CE2 3.5Å; F259-F312 AromaticContact CE2-CZ 3.58Å; F259-F312 HydrophobicContact CE2-CZ 3.58Å; F259-F312 HydrophobicContact CG-CZ 4.39Å; F259-V393 HydrophobicContact CB-CG1 3.97Å; F259-V393 HydrophobicContact CD1-CG1 4.33Å; F259-V393 HydrophobicContact CG-CG1 4.44Å; F259-E397 HydrophobicContact CD1-CB 4.44Å; F259-E397 HydrophobicContact CD1-CG 3.85Å; F259-E397 HydrophobicContact CE1-CB 4.12Å; F259-E397 HydrophobicContact CE1-CG 3.68Å; F259-E397 WeakPolarHBondContact CE1-OE2 3.46Å; F259-E397 HydrophobicContact CZ-CB 4.48Å; F259-E397 HydrophobicContact CZ-CG 4.5Å
260V83.2Confident81.5Confident19 Ų1946 Ų4612%0.11525%0.252CS..  trans-94.3108.9-178.6-175.10000109.6Y110 A118 L122Y110-V260 HydrophobicContact CE1-CG1 4.11Å; A118-V260 HydrophobicContact CB-CB 4.11Å; A118-V260 HydrophobicContact CB-CG1 3.67Å; L122-V260 HydrophobicContact CB-CG2 4.36Å; L122-V260 HydrophobicContact CD2-CG2 3.69Å
261M80.5Confident81.3Confident69 Ų6946.2 Ų46.234%0.3426%0.255SS..  trans-96.8100.7178.1-54.8178.7-69.700110.1F259 M380 V393 E397F259-M261 HydrophobicContact CD1-CG 3.74Å; F259-M261 HydrophobicContact CE1-CG 4.15Å; M261-M380 HydrophobicContact CE-CE 3.58Å; M261-V393 HydrophobicContact CE-CG2 3.78Å; M261-V393 HydrophobicContact CG-CG1 4.36Å; M261-V393 HydrophobicContact SD-CB 4.39Å; M261-V393 HydrophobicContact SD-CG1 3.85Å; M261-V393 HydrophobicContact SD-CG2 3.96Å; M261-E397 HydrophobicContact CG-CG 3.78Å; M261-E397 WeakPolarHBondContact CG-OE1 3.48Å; M261-E397 HydrophobicContact SD-CG 3.82Å; M261-E397 VanDerWaalsContact SD-OE1 3.4Å
262N83.1Confident81.3Confident20 Ų2047.3 Ų47.311%0.10726%0.261CS..  trans-103.6-170.9170.5-71.4-9.7000109.8Y110 L113 N115 A118Y110-N262 PolarHBondContact O-ND2 2.79Å; Y110-N262 VanDerWaalsContact O-ND2 3.14Å; L113-N262 WeakPolarHBondContact O-CB 3.28Å; L113-N262 PolarHBondContact O-ND2 3.43Å; N115-N262 VanDerWaalsContact OD1-C 3.25Å; N115-N262 VanDerWaalsContact OD1-CA 3.24Å; N115-N262 WeakPolarHBondContact OD1-CA 3.29Å; N115-N262 WeakPolarHBondContact OD1-CB 3.36Å; N115-N262 PolarHBondContact OD1-N 3.29Å; N115-N262 PolarHBondContact OD1-O 3.19Å; N115-N262 VanDerWaalsContact OD1-O 3.14Å; A118-N262 WeakPolarHBondContact CB-ND2 3.46Å
263R70.9Confident81.4Confident198 Ų19846.3 Ų46.375%0.74725%0.254SS*.  trans-80.6133.7176.2-67.8-176.7178.1177.5-0.7110.2S265R263-S265 PolarHBondContact O-N 2.75Å
264I64.5Low81.4Confident94 Ų9446.3 Ų46.348%0.48225%0.251SS..  trans-63.6122.5176-57169.5000108.6G266 Y274I264-G266 VanDerWaalsContact C-N 3.32Å; I264-Y274 HydrophobicContact CD1-CE2 4.49Å; I264-Y274 HydrophobicContact CG1-CE2 4.42Å
265S61.3Low81.5Confident64 Ų6447.2 Ų47.245%0.44825%0.252SS..  trans-81.3-15.3-178.162.50000113R263 D267 E270R263-S265 PolarHBondContact O-N 2.75Å; S265-D267 PolarHBondContact OG-N 2.91Å; S265-E270 PolarHBondContact N-OE2 2.89Å; S265-E270 PolarHBondContact OG-OE2 3.25Å; S265-E270 VanDerWaalsContact OG-OE2 3.05Å
266G65.9Low81.5Confident24 Ų2445.8 Ų45.825%0.24724%0.243CC..  trans79.821-173.400000113.5I264I264-G266 VanDerWaalsContact C-N 3.32Å
267D76.1Confident81.6Confident15 Ų1545.7 Ų45.78%0.0824%0.242CC..  trans-62.7141.4174.4179.722.8000111.6S265 R269 E270 N271S265-D267 PolarHBondContact OG-N 2.91Å; D267-R269 VanDerWaalsContact C-N 3.32Å; D267-R269 PolarHBondContact O-N 2.76Å; D267-R269 PolarHBondContact OD1-N 3.02Å; D267-E270 HydrophobicContact CB-CB 3.96Å; D267-E270 PolarHBondContact O-N 3.02Å; D267-N271 WeakPolarHBondContact O-CB 3.22Å; D267-N271 PolarHBondContact O-N 3.12Å; D267-N271 PolarHBondContact O-ND2 3.36Å
268I78.4Confident82Confident63 Ų6341.5 Ų41.532%0.32322%0.223SC..Hα-helixtrans-62.6-42-179.5-61.6177.9000110.3R41 N271 L272R41-I268 HydrophobicContact CG-CD1 3.98Å; R41-I268 VanDerWaalsContact CZ-CD1 3.48Å; I268-N271 PolarHBondContact O-N 3.07Å; I268-L272 PolarHBondContact O-N 2.66Å
269R83.2Confident82.7Confident31 Ų3138.5 Ų38.512%0.11719%0.192CC..Hα-helixtrans-65.5-49.6178.8-76.1-88.7-129.9-176.32.1110.8H79 D267 N271 L272 L273H79-R269 PolarHBondContact CE1-NH2 3.03Å; H79-R269 PolarHBondContact ND1-NH2 2.99Å; D267-R269 VanDerWaalsContact C-N 3.32Å; D267-R269 PolarHBondContact O-N 2.76Å; D267-R269 PolarHBondContact OD1-N 3.02Å; R269-N271 VanDerWaalsContact C-N 3.29Å; R269-N271 PolarHBondContact O-N 3.38Å; R269-L272 WeakPolarHBondContact O-CB 3.49Å; R269-L272 PolarHBondContact O-N 2.75Å; R269-L272 VanDerWaalsContact O-N 3.09Å; R269-L273 VanDerWaalsContact O-CG 3.31Å; R269-L273 WeakPolarHBondContact O-CG 3.31Å; R269-L273 PolarHBondContact O-N 3.08Å
270E86.1Confident82.9Confident3 Ų338.1 Ų38.11%0.01419%0.192CC..Hα-helixtrans-55.9-44.3175.9-178.8165.9-132.700111.5N115 F116 S265 D267 L272 L273 Y274N115-E270 PolarHBondContact N-OE1 2.91Å; F116-E270 HydrophobicContact CD2-CB 4.47Å; F116-E270 HydrophobicContact CD2-CG 4Å; F116-E270 HydrophobicContact CE2-CG 4.08Å; S265-E270 PolarHBondContact N-OE2 2.89Å; S265-E270 PolarHBondContact OG-OE2 3.25Å; S265-E270 VanDerWaalsContact OG-OE2 3.05Å; D267-E270 HydrophobicContact CB-CB 3.96Å; D267-E270 PolarHBondContact O-N 3.02Å; E270-L272 PolarHBondContact O-N 3.41Å; E270-L273 WeakPolarHBondContact O-CB 3.39Å; E270-L273 PolarHBondContact O-N 3.46Å; E270-L273 VanDerWaalsContact O-N 3.16Å; E270-Y274 HydrophobicContact CG-CD2 3.9Å; E270-Y274 HydrophobicContact CG-CE2 3.44Å; E270-Y274 VanDerWaalsContact CG-CE2 3.44Å; E270-Y274 WeakPolarHBondContact O-CD2 3.49Å; E270-Y274 PolarHBondContact O-N 3.34Å
271N87.3Confident83.2Confident64 Ų6437.6 Ų37.634%0.34219%0.189SC..Hα-helixtrans-59.9-43.9174.4-69.3-23.3000112.3D267 I268 R269 L273 Y274 K275D267-N271 WeakPolarHBondContact O-CB 3.22Å; D267-N271 PolarHBondContact O-N 3.12Å; D267-N271 PolarHBondContact O-ND2 3.36Å; I268-N271 PolarHBondContact O-N 3.07Å; R269-N271 VanDerWaalsContact C-N 3.29Å; R269-N271 PolarHBondContact O-N 3.38Å; N271-L273 VanDerWaalsContact C-N 3.32Å; N271-L273 PolarHBondContact O-N 2.91Å; N271-Y274 PolarHBondContact O-N 2.93Å; N271-K275 VanDerWaalsContact O-CG 3.3Å; N271-K275 WeakPolarHBondContact O-CG 3.46Å; N271-K275 PolarHBondContact O-N 2.98Å
272L90.3Very high83.4Confident29 Ų2934.9 Ų34.915%0.15218%0.175CC..Hα-helixtrans-62.6-39.8175.6177.262000111.6I268 R269 E270 K275 I276 V295I268-L272 PolarHBondContact O-N 2.66Å; R269-L272 WeakPolarHBondContact O-CB 3.49Å; R269-L272 PolarHBondContact O-N 2.75Å; R269-L272 VanDerWaalsContact O-N 3.09Å; E270-L272 PolarHBondContact O-N 3.41Å; L272-K275 PolarHBondContact O-N 2.91Å; L272-I276 HydrophobicContact CD1-CD1 4.02Å; L272-I276 HydrophobicContact CD1-CG1 4.31Å; L272-I276 HydrophobicContact CG-CD1 3.98Å; L272-I276 WeakPolarHBondContact O-CG1 3.43Å; L272-I276 PolarHBondContact O-N 2.73Å; L272-V295 HydrophobicContact CD1-CB 4.48Å; L272-V295 HydrophobicContact CD1-CG1 3.99Å; L272-V295 HydrophobicContact CD1-CG2 4.03Å; L272-V295 HydrophobicContact CD2-CG1 4.34Å
273L92.4Very high83.5Confident6 Ų636.3 Ų36.33%0.03118%0.183CC..Hα-helixtrans-61.8-46.5177.2-65.9172.3000110.8F116 R269 E270 N271 K275 I276 F277 A303 F307F116-L273 HydrophobicContact CB-CD1 4.14Å; F116-L273 HydrophobicContact CD1-CD1 3.9Å; F116-L273 HydrophobicContact CD2-CB 4.22Å; F116-L273 HydrophobicContact CD2-CD1 3.45Å; F116-L273 VanDerWaalsContact CD2-CD1 3.45Å; F116-L273 HydrophobicContact CD2-CG 4.47Å; F116-L273 HydrophobicContact CE1-CB 4.28Å; F116-L273 HydrophobicContact CE1-CD1 4.17Å; F116-L273 HydrophobicContact CE2-CB 3.58Å; F116-L273 HydrophobicContact CE2-CD1 3.73Å; F116-L273 HydrophobicContact CE2-CG 4.3Å; F116-L273 HydrophobicContact CG-CD1 3.53Å; F116-L273 HydrophobicContact CZ-CB 3.62Å; F116-L273 HydrophobicContact CZ-CD1 4.09Å; F116-L273 HydrophobicContact CZ-CG 4.45Å; R269-L273 VanDerWaalsContact O-CG 3.31Å; R269-L273 WeakPolarHBondContact O-CG 3.31Å; R269-L273 PolarHBondContact O-N 3.08Å; E270-L273 WeakPolarHBondContact O-CB 3.39Å; E270-L273 PolarHBondContact O-N 3.46Å; E270-L273 VanDerWaalsContact O-N 3.16Å; N271-L273 VanDerWaalsContact C-N 3.32Å; N271-L273 PolarHBondContact O-N 2.91Å; L273-K275 PolarHBondContact O-N 3.05Å; L273-I276 PolarHBondContact O-N 2.87Å; L273-I276 VanDerWaalsContact O-N 3.16Å; L273-F277 PolarHBondContact O-N 3.29Å; L273-A303 HydrophobicContact CD2-CB 3.55Å; L273-F307 HydrophobicContact CB-CE1 3.86Å; L273-F307 HydrophobicContact CB-CZ 3.73Å; L273-F307 HydrophobicContact CD2-CD1 4.34Å; L273-F307 HydrophobicContact CD2-CE1 3.54Å; L273-F307 HydrophobicContact CD2-CE2 4.2Å; L273-F307 HydrophobicContact CD2-CZ 3.46Å; L273-F307 VanDerWaalsContact CD2-CZ 3.46Å; L273-F307 HydrophobicContact CG-CE1 4.16Å; L273-F307 HydrophobicContact CG-CZ 4.17Å; L273-F307 WeakPolarHBondContact O-CZ 3.25Å
274Y90.8Very high84.4Confident23 Ų2327.4 Ų27.49%0.0915%0.151CC..Hα-helixtrans-63.2-40.1175.1-73.7-61.9000113.1N115 F116 I264 E270 N271 I276 F277 V278 E397N115-Y274 WeakPolarHBondContact CB-OH 3.41Å; N115-Y274 PolarHBondContact ND2-OH 2.85Å; F116-Y274 HydrophobicContact CE2-CD2 4.41Å; F116-Y274 HydrophobicContact CE2-CE1 4.34Å; F116-Y274 HydrophobicContact CE2-CE2 4.02Å; F116-Y274 AromaticContact CE2-CZ 3.95Å; F116-Y274 HydrophobicContact CZ-CE1 4.35Å; I264-Y274 HydrophobicContact CD1-CE2 4.49Å; I264-Y274 HydrophobicContact CG1-CE2 4.42Å; E270-Y274 HydrophobicContact CG-CD2 3.9Å; E270-Y274 HydrophobicContact CG-CE2 3.44Å; E270-Y274 VanDerWaalsContact CG-CE2 3.44Å; E270-Y274 WeakPolarHBondContact O-CD2 3.49Å; E270-Y274 PolarHBondContact O-N 3.34Å; N271-Y274 PolarHBondContact O-N 2.93Å; Y274-I276 VanDerWaalsContact C-N 3.25Å; Y274-I276 PolarHBondContact O-N 3.4Å; Y274-F277 HydrophobicContact CD1-CD2 4.17Å; Y274-F277 HydrophobicContact CE1-CD2 4.46Å; Y274-F277 WeakPolarHBondContact O-CB 3.37Å; Y274-F277 PolarHBondContact O-N 2.85Å; Y274-V278 WeakPolarHBondContact O-CG2 3.49Å; Y274-V278 PolarHBondContact O-N 2.96Å; Y274-V278 VanDerWaalsContact O-N 3.13Å; Y274-E397 WeakPolarHBondContact CD1-O 3.43Å; Y274-E397 WeakPolarHBondContact CE1-O 3.41Å; Y274-E397 PolarHBondContact OH-OE2 3.4Å
275K91.7Very high85.7Confident57 Ų5723.3 Ų23.325%0.24813%0.13CC..Hα-helixtrans-57.9-40.4173.8-71.7-178.5177.8-174.30111.3N271 L272 L273 T279 L293 S465 L466N271-K275 VanDerWaalsContact O-CG 3.3Å; N271-K275 WeakPolarHBondContact O-CG 3.46Å; N271-K275 PolarHBondContact O-N 2.98Å; L272-K275 PolarHBondContact O-N 2.91Å; L273-K275 PolarHBondContact O-N 3.05Å; K275-T279 WeakPolarHBondContact O-CB 3.03Å; K275-T279 VanDerWaalsContact O-CG2 3.27Å; K275-T279 WeakPolarHBondContact O-CG2 3.4Å; K275-T279 PolarHBondContact O-N 3.28Å; K275-T279 PolarHBondContact O-OG1 3.21Å; K275-L293 HydrophobicContact CB-CD2 4.29Å; K275-S465 WeakPolarHBondContact CE-O 3.44Å; K275-L466 HydrophobicContact CB-CD2 3.82Å; K275-L466 HydrophobicContact CD-CD2 4.48Å; K275-L466 HydrophobicContact CG-CD2 3.85Å
276I92.8Very high87.3Confident0 Ų020.3 Ų20.30%011%0.109CC..Hα-helixtrans-72.3-40.3177.5-65.7165000111.4L272 L273 Y274 V278 T279 A280 L289 L293 V300 A303 F307L272-I276 HydrophobicContact CD1-CD1 4.02Å; L272-I276 HydrophobicContact CD1-CG1 4.31Å; L272-I276 HydrophobicContact CG-CD1 3.98Å; L272-I276 WeakPolarHBondContact O-CG1 3.43Å; L272-I276 PolarHBondContact O-N 2.73Å; L273-I276 PolarHBondContact O-N 2.87Å; L273-I276 VanDerWaalsContact O-N 3.16Å; Y274-I276 VanDerWaalsContact C-N 3.25Å; Y274-I276 PolarHBondContact O-N 3.4Å; I276-V278 VanDerWaalsContact C-N 3.34Å; I276-V278 PolarHBondContact O-N 3.16Å; I276-T279 WeakPolarHBondContact CA-OG1 3.48Å; I276-T279 PolarHBondContact O-N 3.13Å; I276-T279 VanDerWaalsContact O-N 3.15Å; I276-T279 PolarHBondContact O-OG1 2.91Å; I276-A280 VanDerWaalsContact O-CB 3.27Å; I276-A280 WeakPolarHBondContact O-CB 3.31Å; I276-A280 PolarHBondContact O-N 3.02Å; I276-L289 HydrophobicContact CG2-CD2 3.69Å; I276-L293 HydrophobicContact CG1-CD1 3.57Å; I276-V300 HydrophobicContact CD1-CB 4.38Å; I276-V300 HydrophobicContact CD1-CG1 4.05Å; I276-V300 HydrophobicContact CD1-CG2 4.3Å; I276-A303 HydrophobicContact CD1-CB 3.25Å; I276-F307 HydrophobicContact CB-CE2 3.98Å; I276-F307 HydrophobicContact CB-CZ 4.41Å; I276-F307 HydrophobicContact CG2-CD2 4.48Å; I276-F307 HydrophobicContact CG2-CE2 3.63Å
277F91.5Very high88.6Confident2 Ų221 Ų211%0.00911%0.11CC..Hα-helixtrans-53.8-47175.5-91.4-3000113.1F116 V253 F259 L273 Y274 T279 F307 F312 V398F116-F277 AromaticContact CE1-CE2 3.76Å; F116-F277 HydrophobicContact CE1-CE2 3.76Å; F116-F277 AromaticContact CE1-CZ 3.74Å; F116-F277 HydrophobicContact CE1-CZ 3.74Å; F116-F277 HydrophobicContact CZ-CD2 4.21Å; F116-F277 AromaticContact CZ-CE2 3.65Å; F116-F277 HydrophobicContact CZ-CE2 3.65Å; F116-F277 HydrophobicContact CZ-CZ 4.08Å; V253-F277 HydrophobicContact CG2-CD1 4.37Å; F259-F277 HydrophobicContact CE2-CE2 4.38Å; L273-F277 PolarHBondContact O-N 3.29Å; Y274-F277 HydrophobicContact CD1-CD2 4.17Å; Y274-F277 HydrophobicContact CE1-CD2 4.46Å; Y274-F277 WeakPolarHBondContact O-CB 3.37Å; Y274-F277 PolarHBondContact O-N 2.85Å; F277-T279 VanDerWaalsContact C-N 3.3Å; F277-T279 PolarHBondContact O-N 2.76Å; F277-F307 HydrophobicContact CD1-CD1 4.15Å; F277-F307 HydrophobicContact CD1-CD2 4.34Å; F277-F307 AromaticContact CD1-CE1 3.64Å; F277-F307 HydrophobicContact CD1-CE1 3.64Å; F277-F307 AromaticContact CD1-CE2 3.87Å; F277-F307 HydrophobicContact CD1-CE2 3.87Å; F277-F307 HydrophobicContact CD1-CG 4.47Å; F277-F307 AromaticContact CD1-CZ 3.47Å; F277-F307 HydrophobicContact CD1-CZ 3.47Å; F277-F307 VanDerWaalsContact CD1-CZ 3.47Å; F277-F307 AromaticContact CE1-CD1 3.33Å; F277-F307 HydrophobicContact CE1-CD1 3.33Å; F277-F307 HydrophobicContact CE1-CD2 4.13Å; F277-F307 AromaticContact CE1-CE1 3.16Å; F277-F307 HydrophobicContact CE1-CE1 3.16Å; F277-F307 HydrophobicContact CE1-CE2 4.01Å; F277-F307 AromaticContact CE1-CG 3.82Å; F277-F307 HydrophobicContact CE1-CG 3.82Å; F277-F307 AromaticContact CE1-CZ 3.53Å; F277-F307 HydrophobicContact CE1-CZ 3.53Å; F277-F307 HydrophobicContact CE2-CE1 4.34Å; F277-F307 HydrophobicContact CG-CE1 4.43Å; F277-F307 HydrophobicContact CG-CZ 4.23Å; F277-F307 AromaticContact CZ-CD1 3.81Å; F277-F307 HydrophobicContact CZ-CD1 3.81Å; F277-F307 AromaticContact CZ-CE1 3.58Å; F277-F307 HydrophobicContact CZ-CE1 3.58Å; F277-F307 HydrophobicContact CZ-CZ 4.28Å; F277-F312 HydrophobicContact CE1-CB 4.28Å; F277-F312 HydrophobicContact CZ-CB 4.07Å; F277-F312 HydrophobicContact CZ-CD2 4.08Å; F277-F312 HydrophobicContact CZ-CG 4.36Å; F277-V398 HydrophobicContact CB-CB 4.43Å; F277-V398 HydrophobicContact CB-CG1 3.89Å; F277-V398 HydrophobicContact CD2-CB 4.46Å; F277-V398 HydrophobicContact CD2-CG2 4.16Å; F277-V398 HydrophobicContact CE2-CG2 4.33Å; F277-V398 HydrophobicContact CG-CG1 4.19Å; F277-V398 HydrophobicContact CG-CG2 4.42Å; F277-V398 WeakPolarHBondContact O-CG1 3.22Å
278V89.7Confident89.4Confident7 Ų723.3 Ų23.34%0.04212%0.12CC..Hα-helixtrans-69.2-29.6-179.6177.80000112.2Y274 I276 V398 L463 L466Y274-V278 WeakPolarHBondContact O-CG2 3.49Å; Y274-V278 PolarHBondContact O-N 2.96Å; Y274-V278 VanDerWaalsContact O-N 3.13Å; I276-V278 VanDerWaalsContact C-N 3.34Å; I276-V278 PolarHBondContact O-N 3.16Å; V278-V398 VanDerWaalsContact CG2-O 3.23Å; V278-V398 WeakPolarHBondContact CG2-O 3.43Å; V278-L463 HydrophobicContact CG1-CD2 3.98Å; V278-L466 HydrophobicContact CG1-CD1 4.09Å
279T91.2Very high90.1Very high3 Ų320.6 Ų20.62%0.01811%0.106CC..Hα-helixtrans-100.2-17-171.154.50000114.5K275 I276 F277 L289 L293 L466 V474K275-T279 WeakPolarHBondContact O-CB 3.03Å; K275-T279 VanDerWaalsContact O-CG2 3.27Å; K275-T279 WeakPolarHBondContact O-CG2 3.4Å; K275-T279 PolarHBondContact O-N 3.28Å; K275-T279 PolarHBondContact O-OG1 3.21Å; I276-T279 WeakPolarHBondContact CA-OG1 3.48Å; I276-T279 PolarHBondContact O-N 3.13Å; I276-T279 VanDerWaalsContact O-N 3.15Å; I276-T279 PolarHBondContact O-OG1 2.91Å; F277-T279 VanDerWaalsContact C-N 3.3Å; F277-T279 PolarHBondContact O-N 2.76Å; T279-L289 VanDerWaalsContact OG1-CD1 3.28Å; T279-L289 WeakPolarHBondContact OG1-CD1 3.44Å; T279-L293 HydrophobicContact CG2-CD2 3.8Å; T279-L466 HydrophobicContact CG2-CD1 3.63Å; T279-L466 HydrophobicContact CG2-CD2 3.78Å; T279-L466 HydrophobicContact CG2-CG 4.36Å; T279-V474 HydrophobicContact CG2-CB 4.36Å; T279-V474 HydrophobicContact CG2-CG1 3.96Å; T279-V474 HydrophobicContact CG2-CG2 3.58Å
280A91Very high90.6Very high10 Ų1019.1 Ų19.18%0.08310%0.101CC..  trans-60.6139.1178.100000111.6I251 V253 I276 K400I251-A280 HydrophobicContact CD1-CB 4.41Å; I251-A280 HydrophobicContact CG1-CB 4.49Å; V253-A280 HydrophobicContact CG2-CB 4.37Å; I276-A280 VanDerWaalsContact O-CB 3.27Å; I276-A280 WeakPolarHBondContact O-CB 3.31Å; I276-A280 PolarHBondContact O-N 3.02Å; A280-K400 PolarHBondContact O-NZ 3.25Å
281D88.3Confident90.9Very high8 Ų826.1 Ų26.14%0.04313%0.134CC..  trans-148.1140.1-179.6-174.483.7000109.3N283 T284 K366 K400D281-N283 PolarHBondContact O-N 3.41Å; D281-N283 WeakPolarHBondContact OD2-CB 3.46Å; D281-N283 PolarHBondContact OD2-N 3.45Å; D281-T284 PolarHBondContact O-N 3.07Å; D281-K366 WeakPolarHBondContact OD1-CE 3.42Å; D281-K366 IonicContact OD1-NZ 3.99Å; D281-K366 PolarHBondContact OD1-NZ 3.1Å; D281-K400 IonicContact OD1-NZ 3.92Å; D281-K400 PolarHBondContact OD1-NZ 2.75Å
282E84.8Confident91.1Very high11 Ų1123.8 Ų23.85%0.05112%0.122CC..THydrogen-bonded Turntrans-64.1-13.4-175.762.8-88.5-172.500114.3K250 C252 R316 K366K250-E282 WeakPolarHBondContact CD-O 3.46Å; C252-E282 HydrophobicContact CB-CB 4.18Å; E282-R316 PolarHBondContact O-NH1 2.86Å; E282-K366 VanDerWaalsContact CD-NZ 3.27Å; E282-K366 WeakPolarHBondContact OE1-CE 3.42Å; E282-K366 IonicContact OE1-NZ 3.86Å; E282-K366 PolarHBondContact OE1-NZ 2.65Å; E282-K366 IonicContact OE2-NZ 3.81Å; E282-K366 PolarHBondContact OE2-NZ 3.05Å
283N85.9Confident91.1Very high51 Ų5123 Ų2327%0.27312%0.118SC..THydrogen-bonded Turntrans-103.7-9177.8-59.8-42.1000113.3K250 D281 R316K250-N283 WeakPolarHBondContact CE-O 3.19Å; K250-N283 PolarHBondContact NZ-O 2.81Å; D281-N283 PolarHBondContact O-N 3.41Å; D281-N283 WeakPolarHBondContact OD2-CB 3.46Å; D281-N283 PolarHBondContact OD2-N 3.45Å; N283-R316 PolarHBondContact OD1-NH1 3.24Å
284T89Confident91Very high11 Ų1128.8 Ų28.87%0.06715%0.145CC..SBendtrans-95.5130.5-179.7-59.20000110.7D281 E288 L289D281-T284 PolarHBondContact O-N 3.07Å; T284-E288 HydrophobicContact CG2-CB 3.77Å; T284-L289 HydrophobicContact CG2-CB 4.19Å
285S92.9Very high91Very high8 Ų829.9 Ų29.96%0.05615%0.154CC..BIsolated β-bridgetrans-77.7163.3174.967.70000112.2D249 S287 E288 L289D249-S285 CarbonylContact O-C 3.6Å; D249-S285 WeakPolarHBondContact O-CA 3.4Å; S285-S287 VanDerWaalsContact C-N 3.31Å; S285-S287 PolarHBondContact O-N 3.09Å; S285-S287 PolarHBondContact OG-OG 2.95Å; S285-E288 WeakPolarHBondContact O-CB 3.42Å; S285-E288 PolarHBondContact O-N 2.78Å; S285-E288 VanDerWaalsContact OG-CB 3.3Å; S285-E288 WeakPolarHBondContact OG-CB 3.32Å; S285-E288 VanDerWaalsContact OG-CG 3.31Å; S285-E288 WeakPolarHBondContact OG-CG 3.35Å; S285-E288 PolarHBondContact OG-N 2.93Å; S285-L289 VanDerWaalsContact O-CB 3.3Å; S285-L289 WeakPolarHBondContact O-CB 3.28Å; S285-L289 PolarHBondContact O-N 3.44Å
286V93.8Very high91Very high1 Ų131.6 Ų31.61%0.00617%0.166CC..Hα-helixtrans-60.8-37.8176.61690000112.4V245 C247 D249 L289 A290 V297 V300 K301 A304V245-V286 HydrophobicContact CG1-CG2 3.85Å; C247-V286 PolarHBondContact O-N 3.44Å; D249-V286 WeakPolarHBondContact O-CG2 3.33Å; D249-V286 PolarHBondContact O-N 3.42Å; V286-L289 PolarHBondContact O-N 3.16Å; V286-A290 WeakPolarHBondContact O-CB 3.28Å; V286-A290 PolarHBondContact O-N 3.23Å; V286-V297 HydrophobicContact CG1-CG1 4.45Å; V286-V300 HydrophobicContact CG1-CB 4.17Å; V286-V300 HydrophobicContact CG1-CG1 3.89Å; V286-K301 HydrophobicContact CG1-CG 3.71Å; V286-A304 HydrophobicContact CG2-CB 4.45Å
287S93.8Very high91Very high38 Ų3833.6 Ų33.627%0.26618%0.178SC..Hα-helixtrans-63.8-46.217652.30000112.2C247 S285 L289 A290 E291C247-S287 PolarHBondContact O-N 3.38Å; C247-S287 PolarHBondContact O-OG 3.2Å; S285-S287 VanDerWaalsContact C-N 3.31Å; S285-S287 PolarHBondContact O-N 3.09Å; S285-S287 PolarHBondContact OG-OG 2.95Å; S287-L289 VanDerWaalsContact C-N 3.35Å; S287-A290 WeakPolarHBondContact O-CB 3.28Å; S287-A290 PolarHBondContact O-N 3.2Å; S287-E291 PolarHBondContact O-N 3.18Å
288E92.5Very high91Very high63 Ų6337.4 Ų37.429%0.29420%0.199SC..Hα-helixtrans-64.5-38.5177.4-86.7-175.9-148.200113.2T284 S285 E291 C292 K477T284-E288 HydrophobicContact CG2-CB 3.77Å; S285-E288 WeakPolarHBondContact O-CB 3.42Å; S285-E288 PolarHBondContact O-N 2.78Å; S285-E288 VanDerWaalsContact OG-CB 3.3Å; S285-E288 WeakPolarHBondContact OG-CB 3.32Å; S285-E288 VanDerWaalsContact OG-CG 3.31Å; S285-E288 WeakPolarHBondContact OG-CG 3.35Å; S285-E288 PolarHBondContact OG-N 2.93Å; E288-E291 PolarHBondContact O-N 2.98Å; E288-C292 PolarHBondContact O-N 3Å; E288-C292 PolarHBondContact O-SG 3.34Å; E288-K477 VanDerWaalsContact CB-NZ 3.26Å; E288-K477 WeakPolarHBondContact OE2-CE 3.13Å; E288-K477 IonicContact OE2-NZ 2.71Å; E288-K477 PolarHBondContact OE2-NZ 3.35Å
289L92.4Very high91.1Very high6 Ų638.9 Ų38.93%0.03121%0.209CC..Hα-helixtrans-63.7-43.4175.4179.562.3000110.8I276 T279 T284 S285 V286 S287 C292 L293 V300I276-L289 HydrophobicContact CG2-CD2 3.69Å; T279-L289 VanDerWaalsContact OG1-CD1 3.28Å; T279-L289 WeakPolarHBondContact OG1-CD1 3.44Å; T284-L289 HydrophobicContact CG2-CB 4.19Å; S285-L289 VanDerWaalsContact O-CB 3.3Å; S285-L289 WeakPolarHBondContact O-CB 3.28Å; S285-L289 PolarHBondContact O-N 3.44Å; V286-L289 PolarHBondContact O-N 3.16Å; S287-L289 VanDerWaalsContact C-N 3.35Å; L289-C292 PolarHBondContact O-N 3.38Å; L289-L293 HydrophobicContact CD1-CD1 4.18Å; L289-L293 HydrophobicContact CG-CD1 4.22Å; L289-L293 WeakPolarHBondContact O-CB 3.35Å; L289-L293 WeakPolarHBondContact O-CG 3.37Å; L289-L293 PolarHBondContact O-N 2.87Å; L289-V300 HydrophobicContact CB-CG1 4.39Å; L289-V300 HydrophobicContact CD2-CG1 3.58Å; L289-V300 HydrophobicContact CG-CG1 4Å
290A94.2Very high91.2Very high1 Ų138.7 Ų38.71%0.00821%0.208CC..Hα-helixtrans-62.3-4217600000112.4V286 S287 L293 Q294 V295 V297 V300V286-A290 WeakPolarHBondContact O-CB 3.28Å; V286-A290 PolarHBondContact O-N 3.23Å; S287-A290 WeakPolarHBondContact O-CB 3.28Å; S287-A290 PolarHBondContact O-N 3.2Å; A290-L293 PolarHBondContact O-N 3.35Å; A290-Q294 WeakPolarHBondContact O-CA 3.45Å; A290-Q294 PolarHBondContact O-N 3.24Å; A290-V295 WeakPolarHBondContact CB-O 3.3Å; A290-V295 PolarHBondContact O-N 3.11Å; A290-V297 HydrophobicContact CB-CB 4.2Å; A290-V297 HydrophobicContact CB-CG2 3.75Å; A290-V300 HydrophobicContact CB-CB 4.24Å; A290-V300 HydrophobicContact CB-CG2 3.67Å
291E93.5Very high91.4Very high149 Ų14940.5 Ų40.570%0.69621%0.214SC*.Hα-helixtrans-61.5-44.6174.7-174.2-178.2-176.200111.7S287 E288 L293 Q294S287-E291 PolarHBondContact O-N 3.18Å; E288-E291 PolarHBondContact O-N 2.98Å; E291-L293 PolarHBondContact O-N 2.79Å; E291-Q294 PolarHBondContact O-N 3.49Å
292C90.1Very high91.6Very high15 Ų1542.5 Ų42.510%0.10122%0.223CC..Hα-helixtrans-61.8-44178.6-73.10000112E288 L289 Q294 R473 V474 K477E288-C292 PolarHBondContact O-N 3Å; E288-C292 PolarHBondContact O-SG 3.34Å; L289-C292 PolarHBondContact O-N 3.38Å; C292-Q294 VanDerWaalsContact C-N 3.29Å; C292-Q294 PolarHBondContact O-N 3.39Å; C292-R473 PolarHBondContact O-NE 3.37Å; C292-R473 VanDerWaalsContact O-NE 3.14Å; C292-R473 PolarHBondContact O-NH2 3.07Å; C292-V474 HydrophobicContact CB-CG2 4.35Å; C292-K477 WeakPolarHBondContact SG-CD 3.47Å
293L91.4Very high92Very high12 Ų1242.1 Ų42.16%0.06322%0.222CC..Hα-helixtrans-76.4-13.6178.1-69175.7000113.7K275 I276 T279 L289 A290 E291 V295 L466 T470K275-L293 HydrophobicContact CB-CD2 4.29Å; I276-L293 HydrophobicContact CG1-CD1 3.57Å; T279-L293 HydrophobicContact CG2-CD2 3.8Å; L289-L293 HydrophobicContact CD1-CD1 4.18Å; L289-L293 HydrophobicContact CG-CD1 4.22Å; L289-L293 WeakPolarHBondContact O-CB 3.35Å; L289-L293 WeakPolarHBondContact O-CG 3.37Å; L289-L293 PolarHBondContact O-N 2.87Å; A290-L293 PolarHBondContact O-N 3.35Å; E291-L293 PolarHBondContact O-N 2.79Å; L293-V295 HydrophobicContact CB-CB 4.29Å; L293-V295 HydrophobicContact CB-CG2 3.94Å; L293-V295 PolarHBondContact O-N 3.02Å; L293-L466 HydrophobicContact CD2-CD2 3.8Å; L293-T470 HydrophobicContact CD2-CG2 3.92Å
294Q90.9Very high92.4Very high129 Ų12939.7 Ų39.760%0.60321%0.209SC*.THydrogen-bonded Turntrans5441.7-169.6-63.9177.4-7.600112.5A290 E291 C292A290-Q294 WeakPolarHBondContact O-CA 3.45Å; A290-Q294 PolarHBondContact O-N 3.24Å; E291-Q294 PolarHBondContact O-N 3.49Å; C292-Q294 VanDerWaalsContact C-N 3.29Å; C292-Q294 PolarHBondContact O-N 3.39Å
295V89.9Confident92.6Very high45 Ų4539.8 Ų39.827%0.27321%0.21SC..  trans-116.8151.2178.8177.20000108.9L272 A290 L293 V297 V300L272-V295 HydrophobicContact CD1-CB 4.48Å; L272-V295 HydrophobicContact CD1-CG1 3.99Å; L272-V295 HydrophobicContact CD1-CG2 4.03Å; L272-V295 HydrophobicContact CD2-CG1 4.34Å; A290-V295 WeakPolarHBondContact CB-O 3.3Å; A290-V295 PolarHBondContact O-N 3.11Å; L293-V295 HydrophobicContact CB-CB 4.29Å; L293-V295 HydrophobicContact CB-CG2 3.94Å; L293-V295 PolarHBondContact O-N 3.02Å; V295-V297 PolarHBondContact O-N 3.21Å; V295-V300 HydrophobicContact CB-CG2 4.4Å; V295-V300 HydrophobicContact CG1-CG2 4.31Å
296D91Very high92.7Very high93 Ų9339.7 Ų39.750%0.49721%0.209SC..  trans-55.8135.6174.4-179.660.7000111.9N298 S299 V300D296-N298 PolarHBondContact O-N 3.11Å; D296-N298 WeakPolarHBondContact OD2-CA 3.5Å; D296-N298 WeakPolarHBondContact OD2-CB 3.25Å; D296-N298 PolarHBondContact OD2-N 3.09Å; D296-N298 PolarHBondContact OD2-ND2 3.46Å; D296-S299 WeakPolarHBondContact O-CB 3.36Å; D296-S299 PolarHBondContact O-N 3.1Å; D296-V300 PolarHBondContact O-N 3.26Å
297V93.4Very high92.7Very high42 Ų4239.7 Ų39.726%0.25521%0.209SC..Hα-helixtrans-59.3-34.6-177.1-178.60000111.1V286 A290 V295 S299 V300 K301V286-V297 HydrophobicContact CG1-CG1 4.45Å; A290-V297 HydrophobicContact CB-CB 4.2Å; A290-V297 HydrophobicContact CB-CG2 3.75Å; V295-V297 PolarHBondContact O-N 3.21Å; V297-S299 VanDerWaalsContact C-N 3.34Å; V297-S299 PolarHBondContact O-N 3.04Å; V297-V300 PolarHBondContact O-N 3.02Å; V297-K301 HydrophobicContact CG1-CD 4.45Å; V297-K301 HydrophobicContact CG1-CG 4.46Å; V297-K301 WeakPolarHBondContact O-CG 2.93Å; V297-K301 PolarHBondContact O-N 3.44Å
298N91.5Very high92.7Very high83 Ų8338.1 Ų38.144%0.44420%0.197SC..Hα-helixtrans-69.8-33.8179.8-51.5-66.6000111.8D296 V300 K301 Q302D296-N298 PolarHBondContact O-N 3.11Å; D296-N298 WeakPolarHBondContact OD2-CA 3.5Å; D296-N298 WeakPolarHBondContact OD2-CB 3.25Å; D296-N298 PolarHBondContact OD2-N 3.09Å; D296-N298 PolarHBondContact OD2-ND2 3.46Å; N298-V300 VanDerWaalsContact C-N 3.32Å; N298-K301 PolarHBondContact O-N 2.83Å; N298-Q302 WeakPolarHBondContact O-CB 3.37Å; N298-Q302 WeakPolarHBondContact O-CG 3.39Å; N298-Q302 PolarHBondContact O-N 3.24Å
299S91.6Very high92.7Very high37 Ų3735.9 Ų35.926%0.25919%0.187SC..Hα-helixtrans-63.3-40.1173.4-62.60000111.5D296 V297 Q302 A303D296-S299 WeakPolarHBondContact O-CB 3.36Å; D296-S299 PolarHBondContact O-N 3.1Å; V297-S299 VanDerWaalsContact C-N 3.34Å; V297-S299 PolarHBondContact O-N 3.04Å; S299-Q302 PolarHBondContact O-N 3.38Å; S299-A303 WeakPolarHBondContact O-CB 3.44Å; S299-A303 PolarHBondContact O-N 3.1Å
300V94Very high92.7Very high0 Ų036.5 Ų36.50%019%0.19CC..Hα-helixtrans-69.2-40175.4-173.50000111.5I276 V286 L289 A290 V295 D296 V297 N298 Q302 A303 A304I276-V300 HydrophobicContact CD1-CB 4.38Å; I276-V300 HydrophobicContact CD1-CG1 4.05Å; I276-V300 HydrophobicContact CD1-CG2 4.3Å; V286-V300 HydrophobicContact CG1-CB 4.17Å; V286-V300 HydrophobicContact CG1-CG1 3.89Å; L289-V300 HydrophobicContact CB-CG1 4.39Å; L289-V300 HydrophobicContact CD2-CG1 3.58Å; L289-V300 HydrophobicContact CG-CG1 4Å; A290-V300 HydrophobicContact CB-CB 4.24Å; A290-V300 HydrophobicContact CB-CG2 3.67Å; V295-V300 HydrophobicContact CB-CG2 4.4Å; V295-V300 HydrophobicContact CG1-CG2 4.31Å; D296-V300 PolarHBondContact O-N 3.26Å; V297-V300 PolarHBondContact O-N 3.02Å; N298-V300 VanDerWaalsContact C-N 3.32Å; V300-Q302 VanDerWaalsContact C-N 3.33Å; V300-Q302 PolarHBondContact O-N 3.11Å; V300-A303 PolarHBondContact O-N 3.4Å; V300-A304 WeakPolarHBondContact O-CB 3.12Å; V300-A304 PolarHBondContact O-N 2.95Å
301K94Very high92.5Very high48 Ų4838.7 Ų38.721%0.20921%0.212CC..Hα-helixtrans-58.3-44.2172.3-74.5175175.3176.70112.2V245 C247 V286 V297 N298 A304 S305V245-K301 HydrophobicContact CB-CB 4.42Å; V245-K301 HydrophobicContact CG1-CG 4.41Å; V245-K301 WeakPolarHBondContact O-CD 3.3Å; C247-K301 WeakPolarHBondContact SG-CE 3.39Å; C247-K301 PolarHBondContact SG-NZ 3.25Å; V286-K301 HydrophobicContact CG1-CG 3.71Å; V297-K301 HydrophobicContact CG1-CD 4.45Å; V297-K301 HydrophobicContact CG1-CG 4.46Å; V297-K301 WeakPolarHBondContact O-CG 2.93Å; V297-K301 PolarHBondContact O-N 3.44Å; N298-K301 PolarHBondContact O-N 2.83Å; K301-A304 PolarHBondContact O-N 3.25Å; K301-S305 VanDerWaalsContact O-CB 3.29Å; K301-S305 WeakPolarHBondContact O-CB 3.5Å; K301-S305 PolarHBondContact O-N 3.28Å
302Q92.7Very high92.4Very high50 Ų5032.2 Ų32.223%0.23418%0.182CC..Hα-helixtrans-63.5-44.2177.8-70.8170.427.400111.2H79 N298 S299 V300 S305 I306H79-Q302 HydrophobicContact CB-CG 3.77Å; N298-Q302 WeakPolarHBondContact O-CB 3.37Å; N298-Q302 WeakPolarHBondContact O-CG 3.39Å; N298-Q302 PolarHBondContact O-N 3.24Å; S299-Q302 PolarHBondContact O-N 3.38Å; V300-Q302 VanDerWaalsContact C-N 3.33Å; V300-Q302 PolarHBondContact O-N 3.11Å; Q302-S305 WeakPolarHBondContact O-CB 3.25Å; Q302-S305 PolarHBondContact O-N 2.93Å; Q302-I306 WeakPolarHBondContact O-CD1 3.18Å; Q302-I306 VanDerWaalsContact O-CG1 3.28Å; Q302-I306 WeakPolarHBondContact O-CG1 3.27Å; Q302-I306 PolarHBondContact O-N 2.83Å
303A94Very high92.5Very high3 Ų331.7 Ų31.73%0.02518%0.178CC..Hα-helixtrans-60.9-47.4174.900000112.3L273 I276 S299 V300 S305 I306 F307L273-A303 HydrophobicContact CD2-CB 3.55Å; I276-A303 HydrophobicContact CD1-CB 3.25Å; S299-A303 WeakPolarHBondContact O-CB 3.44Å; S299-A303 PolarHBondContact O-N 3.1Å; V300-A303 PolarHBondContact O-N 3.4Å; A303-S305 VanDerWaalsContact C-N 3.3Å; A303-S305 PolarHBondContact O-N 3.3Å; A303-I306 WeakPolarHBondContact O-CB 3.41Å; A303-I306 PolarHBondContact O-N 3.34Å; A303-I306 VanDerWaalsContact O-N 3.15Å; A303-F307 HydrophobicContact CB-CE2 4.34Å; A303-F307 VanDerWaalsContact O-CD2 3.27Å; A303-F307 WeakPolarHBondContact O-CD2 3.4Å; A303-F307 WeakPolarHBondContact O-CG 3.41Å; A303-F307 PolarHBondContact O-N 3.49Å
304A94.1Very high92.4Very high0 Ų035.8 Ų35.80%020%0.197CC..Hα-helixtrans-59.2-41.1175.400000112.2V245 I251 V286 V300 K301 F307 C308V245-A304 HydrophobicContact CG1-CB 3.95Å; V245-A304 HydrophobicContact CG2-CB 4.19Å; I251-A304 HydrophobicContact CD1-CB 4.04Å; I251-A304 HydrophobicContact CG2-CB 4.22Å; V286-A304 HydrophobicContact CG2-CB 4.45Å; V300-A304 WeakPolarHBondContact O-CB 3.12Å; V300-A304 PolarHBondContact O-N 2.95Å; K301-A304 PolarHBondContact O-N 3.25Å; A304-F307 PolarHBondContact O-N 3.28Å; A304-C308 PolarHBondContact O-N 3.34Å; A304-C308 PolarHBondContact O-SG 3.01Å
305S93.8Very high92.3Very high13 Ų1332.4 Ų32.49%0.09118%0.18CC..Hα-helixtrans-61.7-43.8174.6-176.50000111.5I243 K301 Q302 A303 C308 R309I243-S305 WeakPolarHBondContact CB-OG 3.35Å; I243-S305 WeakPolarHBondContact O-CB 3.49Å; I243-S305 PolarHBondContact O-OG 2.98Å; K301-S305 VanDerWaalsContact O-CB 3.29Å; K301-S305 WeakPolarHBondContact O-CB 3.5Å; K301-S305 PolarHBondContact O-N 3.28Å; Q302-S305 WeakPolarHBondContact O-CB 3.25Å; Q302-S305 PolarHBondContact O-N 2.93Å; A303-S305 VanDerWaalsContact C-N 3.3Å; A303-S305 PolarHBondContact O-N 3.3Å; S305-C308 PolarHBondContact O-N 2.81Å; S305-R309 WeakPolarHBondContact O-CB 3.33Å; S305-R309 PolarHBondContact O-N 3.14Å
306I94.1Very high91.7Very high6 Ų634.5 Ų34.53%0.03118%0.184CC..Hα-helixtrans-61.8-45.6174.7-70.4161000110.8L75 Y78 Q302 A303 C308 R309 L310L75-I306 HydrophobicContact CD2-CD1 3.8Å; L75-I306 HydrophobicContact CD2-CG1 4.25Å; L75-I306 HydrophobicContact CD2-CG2 3.85Å; Y78-I306 HydrophobicContact CD2-CG1 4.22Å; Q302-I306 WeakPolarHBondContact O-CD1 3.18Å; Q302-I306 VanDerWaalsContact O-CG1 3.28Å; Q302-I306 WeakPolarHBondContact O-CG1 3.27Å; Q302-I306 PolarHBondContact O-N 2.83Å; A303-I306 WeakPolarHBondContact O-CB 3.41Å; A303-I306 PolarHBondContact O-N 3.34Å; A303-I306 VanDerWaalsContact O-N 3.15Å; I306-C308 PolarHBondContact O-N 3.27Å; I306-R309 WeakPolarHBondContact O-CB 3.48Å; I306-R309 PolarHBondContact O-N 3.16Å; I306-L310 HydrophobicContact CG2-CD1 3.73Å; I306-L310 HydrophobicContact CG2-CG 4.25Å; I306-L310 WeakPolarHBondContact O-CG 3.22Å; I306-L310 PolarHBondContact O-N 3.08Å
307F94Very high90.6Very high0 Ų036.5 Ų36.50%019%0.193CC..Hα-helixtrans-62.5-43.4178.9-62-39.6000112.7F116 L273 I276 F277 A303 A304 R309 L310 G311 F312 A313F116-F307 HydrophobicContact CD1-CE1 4.46Å; F116-F307 HydrophobicContact CE1-CD1 4.23Å; F116-F307 AromaticContact CE1-CE1 3.67Å; F116-F307 HydrophobicContact CE1-CE1 3.67Å; F116-F307 HydrophobicContact CZ-CE1 4.08Å; L273-F307 HydrophobicContact CB-CE1 3.86Å; L273-F307 HydrophobicContact CB-CZ 3.73Å; L273-F307 HydrophobicContact CD2-CD1 4.34Å; L273-F307 HydrophobicContact CD2-CE1 3.54Å; L273-F307 HydrophobicContact CD2-CE2 4.2Å; L273-F307 HydrophobicContact CD2-CZ 3.46Å; L273-F307 VanDerWaalsContact CD2-CZ 3.46Å; L273-F307 HydrophobicContact CG-CE1 4.16Å; L273-F307 HydrophobicContact CG-CZ 4.17Å; L273-F307 WeakPolarHBondContact O-CZ 3.25Å; I276-F307 HydrophobicContact CB-CE2 3.98Å; I276-F307 HydrophobicContact CB-CZ 4.41Å; I276-F307 HydrophobicContact CG2-CD2 4.48Å; I276-F307 HydrophobicContact CG2-CE2 3.63Å; F277-F307 HydrophobicContact CD1-CD1 4.15Å; F277-F307 HydrophobicContact CD1-CD2 4.34Å; F277-F307 AromaticContact CD1-CE1 3.64Å; F277-F307 HydrophobicContact CD1-CE1 3.64Å; F277-F307 AromaticContact CD1-CE2 3.87Å; F277-F307 HydrophobicContact CD1-CE2 3.87Å; F277-F307 HydrophobicContact CD1-CG 4.47Å; F277-F307 AromaticContact CD1-CZ 3.47Å; F277-F307 HydrophobicContact CD1-CZ 3.47Å; F277-F307 VanDerWaalsContact CD1-CZ 3.47Å; F277-F307 AromaticContact CE1-CD1 3.33Å; F277-F307 HydrophobicContact CE1-CD1 3.33Å; F277-F307 HydrophobicContact CE1-CD2 4.13Å; F277-F307 AromaticContact CE1-CE1 3.16Å; F277-F307 HydrophobicContact CE1-CE1 3.16Å; F277-F307 HydrophobicContact CE1-CE2 4.01Å; F277-F307 AromaticContact CE1-CG 3.82Å; F277-F307 HydrophobicContact CE1-CG 3.82Å; F277-F307 AromaticContact CE1-CZ 3.53Å; F277-F307 HydrophobicContact CE1-CZ 3.53Å; F277-F307 HydrophobicContact CE2-CE1 4.34Å; F277-F307 HydrophobicContact CG-CE1 4.43Å; F277-F307 HydrophobicContact CG-CZ 4.23Å; F277-F307 AromaticContact CZ-CD1 3.81Å; F277-F307 HydrophobicContact CZ-CD1 3.81Å; F277-F307 AromaticContact CZ-CE1 3.58Å; F277-F307 HydrophobicContact CZ-CE1 3.58Å; F277-F307 HydrophobicContact CZ-CZ 4.28Å; A303-F307 HydrophobicContact CB-CE2 4.34Å; A303-F307 VanDerWaalsContact O-CD2 3.27Å; A303-F307 WeakPolarHBondContact O-CD2 3.4Å; A303-F307 WeakPolarHBondContact O-CG 3.41Å; A303-F307 PolarHBondContact O-N 3.49Å; A304-F307 PolarHBondContact O-N 3.28Å; F307-R309 VanDerWaalsContact C-N 3.3Å; F307-R309 PolarHBondContact O-N 3.29Å; F307-L310 PolarHBondContact O-N 3.32Å; F307-G311 PolarHBondContact O-N 3.01Å; F307-G311 VanDerWaalsContact O-N 3.13Å; F307-F312 HydrophobicContact CB-CB 4.43Å; F307-F312 PolarHBondContact O-N 3.14Å; F307-A313 HydrophobicContact CB-CB 3.48Å; F307-A313 VanDerWaalsContact CB-CB 3.48Å; F307-A313 HydrophobicContact CG-CB 4.49Å; F307-A313 PolarHBondContact O-N 3.27Å
308C92.8Very high88.7Confident5 Ų537.3 Ų37.33%0.03421%0.209CC..Hα-helixtrans-61.9-41.2174.5-64.50000111.1W174 Y175 I243 A304 S305 I306 L310 G311 A313W174-C308 HydrophobicContact CH2-CB 4.32Å; Y175-C308 PolarHBondContact OH-O 2.98Å; I243-C308 HydrophobicContact CG2-CB 3.9Å; A304-C308 PolarHBondContact O-N 3.34Å; A304-C308 PolarHBondContact O-SG 3.01Å; S305-C308 PolarHBondContact O-N 2.81Å; I306-C308 PolarHBondContact O-N 3.27Å; C308-L310 PolarHBondContact O-N 3.18Å; C308-G311 PolarHBondContact O-N 2.6Å; C308-A313 WeakPolarHBondContact CA-O 3.42Å
309R93.1Very high85.9Confident17 Ų1744 Ų446%0.06423%0.229CC..Hα-helixtrans-60.6-44.3177.4-166.9172-66.2-87.35.3113.5Y78 R123 I241 I243 S305 I306 F307 G311Y78-R309 VanDerWaalsContact CE1-NE 3.28Å; R123-R309 WeakPolarHBondContact CD-O 3.4Å; I241-R309 VanDerWaalsContact O-CZ 3.29Å; I241-R309 PolarHBondContact O-NH1 3.37Å; I241-R309 PolarHBondContact O-NH2 3.47Å; I243-R309 HydrophobicContact CD1-CB 3.53Å; I243-R309 HydrophobicContact CD1-CG 3.87Å; S305-R309 WeakPolarHBondContact O-CB 3.33Å; S305-R309 PolarHBondContact O-N 3.14Å; I306-R309 WeakPolarHBondContact O-CB 3.48Å; I306-R309 PolarHBondContact O-N 3.16Å; F307-R309 VanDerWaalsContact C-N 3.3Å; F307-R309 PolarHBondContact O-N 3.29Å; R309-G311 PolarHBondContact O-N 3.29Å
310L92Very high83.3Confident19 Ų1947 Ų4710%0.09925%0.247CC..Hα-helixtrans-79-6.1-178.6-63.4178000112.2F116 D120 I306 F307 C308 F312F116-L310 HydrophobicContact CB-CD1 4.33Å; F116-L310 HydrophobicContact CD1-CD1 3.96Å; D120-L310 HydrophobicContact CB-CD2 3.72Å; I306-L310 HydrophobicContact CG2-CD1 3.73Å; I306-L310 HydrophobicContact CG2-CG 4.25Å; I306-L310 WeakPolarHBondContact O-CG 3.22Å; I306-L310 PolarHBondContact O-N 3.08Å; F307-L310 PolarHBondContact O-N 3.32Å; C308-L310 PolarHBondContact O-N 3.18Å; L310-F312 VanDerWaalsContact C-N 3.32Å; L310-F312 HydrophobicContact CB-CD1 4.49Å; L310-F312 HydrophobicContact CB-CD2 3.61Å; L310-F312 HydrophobicContact CB-CE1 4.48Å; L310-F312 HydrophobicContact CB-CE2 3.62Å; L310-F312 HydrophobicContact CB-CG 4.08Å; L310-F312 HydrophobicContact CB-CZ 4.08Å; L310-F312 HydrophobicContact CD1-CD2 3.99Å; L310-F312 HydrophobicContact CD1-CE2 3.65Å; L310-F312 HydrophobicContact CG-CD2 4.46Å; L310-F312 HydrophobicContact CG-CE2 4.25Å
311G90.4Very high80.1Confident46 Ų4655.3 Ų55.347%0.47429%0.286SS..THydrogen-bonded Turntrans78.913.4-177.300000113.9F307 C308 R309F307-G311 PolarHBondContact O-N 3.01Å; F307-G311 VanDerWaalsContact O-N 3.13Å; C308-G311 PolarHBondContact O-N 2.6Å; R309-G311 PolarHBondContact O-N 3.29Å
312F91.9Very high77Confident13 Ų1358.2 Ų58.26%0.05731%0.312CS..SBendtrans-89.2-17.1-179.5-57.2-28.3000113.6F116 A119 P254 L256 F259 F277 F307 L310F116-F312 HydrophobicContact CD1-CD2 4.33Å; F116-F312 HydrophobicContact CD1-CE2 4.06Å; F116-F312 HydrophobicContact CE1-CD2 4.21Å; F116-F312 HydrophobicContact CE1-CE2 4.25Å; A119-F312 HydrophobicContact CB-CE2 3.95Å; A119-F312 HydrophobicContact CB-CZ 3.57Å; P254-F312 WeakPolarHBondContact CD-O 2.98Å; L256-F312 HydrophobicContact CD2-CB 3.94Å; L256-F312 HydrophobicContact CD2-CD1 3.86Å; L256-F312 HydrophobicContact CD2-CG 4.11Å; F259-F312 HydrophobicContact CD2-CD1 4.18Å; F259-F312 HydrophobicContact CD2-CD2 4.34Å; F259-F312 AromaticContact CD2-CE1 3.57Å; F259-F312 HydrophobicContact CD2-CE1 3.57Å; F259-F312 AromaticContact CD2-CE2 3.73Å; F259-F312 HydrophobicContact CD2-CE2 3.73Å; F259-F312 AromaticContact CD2-CZ 3.29Å; F259-F312 HydrophobicContact CD2-CZ 3.29Å; F259-F312 HydrophobicContact CE2-CD2 4.08Å; F259-F312 HydrophobicContact CE2-CE1 4.23Å; F259-F312 AromaticContact CE2-CE2 3.5Å; F259-F312 HydrophobicContact CE2-CE2 3.5Å; F259-F312 VanDerWaalsContact CE2-CE2 3.5Å; F259-F312 AromaticContact CE2-CZ 3.58Å; F259-F312 HydrophobicContact CE2-CZ 3.58Å; F259-F312 HydrophobicContact CG-CZ 4.39Å; F277-F312 HydrophobicContact CE1-CB 4.28Å; F277-F312 HydrophobicContact CZ-CB 4.07Å; F277-F312 HydrophobicContact CZ-CD2 4.08Å; F277-F312 HydrophobicContact CZ-CG 4.36Å; F307-F312 HydrophobicContact CB-CB 4.43Å; F307-F312 PolarHBondContact O-N 3.14Å; L310-F312 VanDerWaalsContact C-N 3.32Å; L310-F312 HydrophobicContact CB-CD1 4.49Å; L310-F312 HydrophobicContact CB-CD2 3.61Å; L310-F312 HydrophobicContact CB-CE1 4.48Å; L310-F312 HydrophobicContact CB-CE2 3.62Å; L310-F312 HydrophobicContact CB-CG 4.08Å; L310-F312 HydrophobicContact CB-CZ 4.08Å; L310-F312 HydrophobicContact CD1-CD2 3.99Å; L310-F312 HydrophobicContact CD1-CE2 3.65Å; L310-F312 HydrophobicContact CG-CD2 4.46Å; L310-F312 HydrophobicContact CG-CE2 4.25Å
313A91.8Very high73.9Confident4 Ų466.1 Ų66.13%0.03334%0.34CS..  trans-135.6156.9173.900000110.7C252 F307 C308C252-A313 VanDerWaalsContact O-CA 3.3Å; C252-A313 WeakPolarHBondContact O-CA 3.44Å; F307-A313 HydrophobicContact CB-CB 3.48Å; F307-A313 VanDerWaalsContact CB-CB 3.48Å; F307-A313 HydrophobicContact CG-CB 4.49Å; F307-A313 PolarHBondContact O-N 3.27Å; C308-A313 WeakPolarHBondContact CA-O 3.42Å
314Q90Very high70.7Confident98 Ų9872.3 Ų72.346%0.45838%0.378SS..EExtended strand (participates in β ladder)trans-124.4140.6173.8-61.7176.27.800109I251 C252I251-Q314 WeakPolarHBondContact CA-O 3.23Å; C252-Q314 PolarHBondContact N-O 2.81Å; C252-Q314 PolarHBondContact O-N 2.83Å
315K87.4Confident67.4Low58 Ų5881.5 Ų81.525%0.25242%0.418SS..EExtended strand (participates in β ladder)trans-76.2126171.7178.6171.2171.5163.20108.6W174 D249 I317W174-K315 HydrophobicContact CE3-CD 4.43Å; W174-K315 HydrophobicContact CH2-CB 4.23Å; W174-K315 HydrophobicContact CH2-CD 4.23Å; W174-K315 HydrophobicContact CZ2-CB 3.9Å; W174-K315 HydrophobicContact CZ2-CD 4.4Å; W174-K315 HydrophobicContact CZ3-CD 4.27Å; D249-K315 WeakPolarHBondContact OD1-CE 3.29Å; D249-K315 IonicContact OD1-NZ 3.72Å; D249-K315 PolarHBondContact OD1-NZ 3.25Å; D249-K315 VanDerWaalsContact OD2-CE 3.24Å; D249-K315 WeakPolarHBondContact OD2-CE 3.24Å; D249-K315 IonicContact OD2-NZ 3.43Å; D249-K315 PolarHBondContact OD2-NZ 2.89Å; K315-I317 HydrophobicContact CG-CG1 4.46Å; K315-I317 PolarHBondContact O-N 2.85Å
316R77.8Confident64.1Low90 Ų9086 Ų8634%0.3445%0.446SS..  trans-74.7110.6176.9-164.2175.7-173.4-179.35.4109.3K250 E282 N283K250-R316 HydrophobicContact CB-CB 4.36Å; K250-R316 PolarHBondContact O-N 2.93Å; E282-R316 PolarHBondContact O-NH1 2.86Å; N283-R316 PolarHBondContact OD1-NH1 3.24Å
317I67.9Low60.9Low134 Ų13493.8 Ų93.869%0.68748%0.48SS*.  trans-102.7107178.7-56.4167.1000108K315K315-I317 HydrophobicContact CG-CG1 4.46Å; K315-I317 PolarHBondContact O-N 2.85Å
318G52.8Low57.5Low59 Ų59101.5 Ų101.561%0.60852%0.516SS*.SBendtrans100169.117100000116.9
319R34.4Very low54.3Low224 Ų224106.8 Ų106.885%0.84554%0.543SS*.SBendtrans-70.9153.3174.4-114.9-175.6175169.1-2.1110.1E321R319-E321 VanDerWaalsContact C-N 3.32Å; R319-E321 PolarHBondContact O-N 2.79Å
320P35.9Very low50.9Low100 Ų100111.3 Ų111.365%0.64957%0.574SS**SBendtrans-7581.7-167.932.9-33.3000110.9
321E28.1Very low47.6Very low175 Ų175117.6 Ų117.682%0.81861%0.607SS**  trans-127.8124.6165.2-69.1-172.4-178.600108.6R319R319-E321 VanDerWaalsContact C-N 3.32Å; R319-E321 PolarHBondContact O-N 2.79Å
322S29.1Very low44.3Very low108 Ų108120.2 Ų120.276%0.75562%0.618SS**SBendtrans77106.3-177.875.80000116.7T324S322-T324 PolarHBondContact O-N 3.04Å
323R26.5Very low41.1Very low217 Ų217127.1 Ų127.182%0.81966%0.655SS**  trans-56.595.5164.9-78.9172.8167.2163.2-3.7109.6
324T26.6Very low37.8Very low133 Ų133134.2 Ų134.282%0.81669%0.693SS**PPolyproline II helixtrans-72.3129170.318.60000109.8S322S322-T324 PolarHBondContact O-N 3.04Å
325K24.4Very low34.6Very low193 Ų193138.1 Ų138.184%0.83971%0.711SS**PPolyproline II helixtrans-64.8144.6-177.2-68.2178.8178.6179.10111
326P26Very low31.6Very low107 Ų107140.6 Ų140.670%0.69574%0.735SS**PPolyproline II helixtrans-64.6139.5-179.327.1-33.7000111.2Q328P326-Q328 PolarHBondContact O-N 2.6Å
327F26Very low28.9Very low169 Ų169143.7 Ų143.774%0.74176%0.759SS**  trans-63110.7177.5-122.4-97.4000109.4
328Q23.2Very low26.9Very low163 Ų163144 Ų14476%0.76277%0.767SS**  trans-87.6125.7167.7-72.3-179.6-26.300108.6P326 P330P326-Q328 PolarHBondContact O-N 2.6Å; Q328-P330 WeakPolarHBondContact O-CD 3.26Å
329I24.1Very low25.4Very low116 Ų116148.8 Ų148.860%0.59578%0.778SS**  trans-61120.7166.4-61171.3000106.8E257 I331E257-I329 HydrophobicContact CB-CD1 4.4Å; I329-I331 PolarHBondContact O-N 3.11Å
330P22.2Very low25Very low111 Ų111146.2 Ų146.272%0.72178%0.78SS**  trans-66.3106.6-176.7-14.727.5000109.2Q328 S332Q328-P330 WeakPolarHBondContact O-CD 3.26Å; P330-S332 PolarHBondContact O-N 2.66Å
331I23.8Very low24.4Very low151 Ų151150 Ų15077%0.77479%0.789SS**  trans-67.3113.6160.5-60.2174000104.8I329 N333I329-I331 PolarHBondContact O-N 3.11Å; I331-N333 PolarHBondContact O-N 2.88Å
332S21.4Very low24.2Very low102 Ų102147.5 Ų147.571%0.71379%0.786SS**  trans-46.4111.9176.948.70000110.7P330P330-S332 PolarHBondContact O-N 2.66Å
333N23.1Very low23.9Very low157 Ų157151 Ų15184%0.8479%0.79SS**  trans-138.6117153.5-84.7-24.2000106.5I331I331-N333 PolarHBondContact O-N 2.88Å
334D22.4Very low23.7Very low154 Ų154147.8 Ų147.882%0.82479%0.789SS**  trans-61.5163.8178.5-76.7-47.8000112.6
335E24.4Very low23.6Very low180 Ų180146.6 Ų146.684%0.84179%0.787SS**  trans103.7107.6157.3-57-166.916200118.6
336S24.6Very low23.6Very low109 Ų109142.4 Ų142.476%0.76279%0.788SS**  trans100.897.3134.9-54.20000119.2
337D21.1Very low23.6Very low156 Ų156143.6 Ų143.683%0.83479%0.793SS**  trans-6.6131.9146-70.9-36.2000118.3
338T24.5Very low23.4Very low141 Ų141144.4 Ų144.487%0.86580%0.799SS**  trans-159.5116.5132.76.20000111.6
339L21.1Very low23.7Very low158 Ų158141.3 Ų141.383%0.82780%0.801SS**  trans-60.7129.3176.2-66.1150.6000111.7
340L26.1Very low23.7Very low170 Ų170143.6 Ų143.689%0.8981%0.814SS**  trans-128.4120163.3-75173.1000110
341H23.9Very low23.9Very low179 Ų179146.3 Ų146.383%0.82982%0.822SS**  trans-67.7130.1-175.5-74.7-86.3000112.5
342T24.6Very low24Very low124 Ų124145.5 Ų145.576%0.76182%0.819SS**  trans-84110.5170.2-48.10000109.5
343E22.4Very low24.1Very low181 Ų181145.9 Ų145.985%0.84682%0.822SS**  trans-96.5112.2165.9-76.1-170.2161.500110
344N21.9Very low24.4Very low149 Ų149148 Ų14880%0.79782%0.824SS**  trans-71.4120.6174-72.9-27.7000110.5
345S25.3Very low24.8Very low109 Ų109145.9 Ų145.976%0.76282%0.819SS**  trans-118.897.7164.5-55.60000108.6V347S345-V347 PolarHBondContact O-N 3.26Å
346A22.7Very low24.8Very low104 Ų104143 Ų14386%0.8682%0.819SS**  trans-68.7120.9172.200000109.6
347V27.2Very low25.1Very low132 Ų132143.9 Ų143.980%0.882%0.819SS**  trans-119.4108.3168.5-171.70000107.2S345 A349S345-V347 PolarHBondContact O-N 3.26Å; V347-A349 PolarHBondContact O-N 3.05Å
348E21.9Very low25.4Very low186 Ų186143.7 Ų143.787%0.86982%0.818SS**  trans-62.9115175.1-66.6174.1153.400109.7
349A29Very low25.7Very low98 Ų98142.3 Ų142.381%0.8181%0.805SS**  trans-98.4111.6175.900000109.7V347V347-A349 PolarHBondContact O-N 3.05Å
350N24.9Very low26.1Very low164 Ų164143.4 Ų143.488%0.87781%0.806SS**  trans-60.4135.1176-81.3-40.7000112.1
351L26Very low26.5Very low169 Ų169139.5 Ų139.589%0.88579%0.791SS**  trans-81.6105.3178.2-171.880.4000109.1
352D24.8Very low27.6Very low133 Ų133139.9 Ų139.971%0.71179%0.794SS**  trans-141.8101.6164.6-101.8-29.4000112.1
353S24.8Very low29.2Very low110 Ų110140.7 Ų140.777%0.76979%0.789SS**  trans29.192.8142.247.80000119.3
354F28.8Very low31.8Very low203 Ų203138.5 Ų138.589%0.8978%0.777SS**  trans-87.7133.5162.4-72.3-82.5000111.1
355P31Very low35Very low109 Ų109135 Ų13571%0.70875%0.754SS**  trans-79.6139.6-175.732-31.9000111.6V357P355-V357 PolarHBondContact O-N 3.46Å
356S25Very low38.3Very low120 Ų120130 Ų13084%0.83972%0.719SS**  trans-56.2108.4175.149.90000112
357V30Very low41.7Very low126 Ų126125 Ų12576%0.76468%0.678SS**  trans-106.5118.6162.3179.70000106.5P355 D359P355-V357 PolarHBondContact O-N 3.46Å; V357-D359 PolarHBondContact O-N 3.13Å
358D27.6Very low45Very low152 Ų152118.8 Ų118.881%0.81364%0.64SS**  trans-56.192.5174-74.3-41.4000110.3H360D358-H360 VanDerWaalsContact C-N 3.27Å; D358-H360 PolarHBondContact O-N 3.32Å
359D29.7Very low48.6Very low112 Ų112109.9 Ų109.960%0.59960%0.598SS**  trans-84.970.2179.7-161.322.8000109.9V357 C361V357-D359 PolarHBondContact O-N 3.13Å; D359-C361 PolarHBondContact O-N 3.04Å; D359-C361 VanDerWaalsContact O-N 3.08Å; D359-C361 WeakPolarHBondContact OD1-CB 3.43Å; D359-C361 PolarHBondContact OD1-N 3.43Å; D359-C361 PolarHBondContact OD1-SG 3.04Å
360H29.9Very low51.8Low181 Ų181105.6 Ų105.684%0.83856%0.562SS**  trans-7652.9151.7-71.4-55.4000109D358 Q362D358-H360 VanDerWaalsContact C-N 3.27Å; D358-H360 PolarHBondContact O-N 3.32Å; H360-Q362 PolarHBondContact O-N 3.31Å
361C34.7Very low55.2Low88 Ų8897.9 Ų97.960%0.59552%0.52SS*.  trans-56.2108.1159.4-106.10000106.1D359 Q363D359-C361 PolarHBondContact O-N 3.04Å; D359-C361 VanDerWaalsContact O-N 3.08Å; D359-C361 WeakPolarHBondContact OD1-CB 3.43Å; D359-C361 PolarHBondContact OD1-N 3.43Å; D359-C361 PolarHBondContact OD1-SG 3.04Å; C361-Q363 VanDerWaalsContact C-N 3.35Å; C361-Q363 PolarHBondContact O-N 3.2Å
362Q46.6Very low58.3Low187 Ų18790.1 Ų90.187%0.87448%0.48SS*.  trans-50.6107.1164.9-75.3174.9-21.300106.1H360 K364H360-Q362 PolarHBondContact O-N 3.31Å; Q362-K364 PolarHBondContact O-N 3.29Å
363Q58.7Low61.5Low141 Ų14184.9 Ų84.966%0.65945%0.453SS*.  trans-57.2114.5-178.7-77.2176.7-12.300107.1C361 K365C361-Q363 VanDerWaalsContact C-N 3.35Å; C361-Q363 PolarHBondContact O-N 3.2Å; Q363-K365 PolarHBondContact O-N 3.46Å
364K76.8Confident64.6Low136 Ų13682.9 Ų82.959%0.59144%0.436SS*.PPolyproline II helixtrans-55.3128173.9-72.2-172.3177.9-171.10107.7Q362 D451 C453Q362-K364 PolarHBondContact O-N 3.29Å; K364-D451 WeakPolarHBondContact CB-O 3.46Å; K364-C453 HydrophobicContact CB-CB 3.93Å; K364-C453 PolarHBondContact O-SG 2.99Å
365K90.1Very high67.7Low76 Ų7673.3 Ų73.333%0.3340%0.395SS..PPolyproline II helixtrans-88.5167.7177.5-65.5-171.8-1701680110.2Q363 F452 C453 R476 K477 N478 N480Q363-K365 PolarHBondContact O-N 3.46Å; K365-F452 VanDerWaalsContact O-CA 3.29Å; K365-F452 WeakPolarHBondContact O-CA 3.23Å; K365-C453 VanDerWaalsContact C-SG 3.58Å; K365-C453 PolarHBondContact O-N 3.09Å; K365-C453 VanDerWaalsContact O-N 3.16Å; K365-C453 PolarHBondContact O-SG 2.77Å; K365-R476 PolarHBondContact NZ-O 3.38Å; K365-K477 VanDerWaalsContact CD-O 3.23Å; K365-K477 WeakPolarHBondContact CD-O 3.49Å; K365-K477 WeakPolarHBondContact CE-O 3.42Å; K365-N478 WeakPolarHBondContact CB-O 3.36Å; K365-N480 HydrophobicContact CB-CB 4.18Å; K365-N480 WeakPolarHBondContact CD-OD1 3.37Å
366K93.3Very high70.6Confident3 Ų368.3 Ų68.31%0.01336%0.362CS..EExtended strand (participates in β ladder)trans-91.3166.2-175.8-63.5-179.2176-179.60112.7D281 E282 C453 D454 D456 N478 Y479 N480D281-K366 WeakPolarHBondContact OD1-CE 3.42Å; D281-K366 IonicContact OD1-NZ 3.99Å; D281-K366 PolarHBondContact OD1-NZ 3.1Å; E282-K366 VanDerWaalsContact CD-NZ 3.27Å; E282-K366 WeakPolarHBondContact OE1-CE 3.42Å; E282-K366 IonicContact OE1-NZ 3.86Å; E282-K366 PolarHBondContact OE1-NZ 2.65Å; E282-K366 IonicContact OE2-NZ 3.81Å; E282-K366 PolarHBondContact OE2-NZ 3.05Å; K366-C453 WeakPolarHBondContact CG-SG 3.4Å; K366-D454 WeakPolarHBondContact CA-O 3.18Å; K366-D454 WeakPolarHBondContact CB-O 3.42Å; K366-D454 HydrophobicContact CD-CB 4.17Å; K366-D454 HydrophobicContact CG-CB 4.05Å; K366-D456 VanDerWaalsContact CD-OD2 3.25Å; K366-D456 WeakPolarHBondContact CD-OD2 3.45Å; K366-D456 IonicContact NZ-OD1 3.62Å; K366-D456 PolarHBondContact NZ-OD1 3.27Å; K366-D456 IonicContact NZ-OD2 2.86Å; K366-D456 PolarHBondContact NZ-OD2 3.34Å; K366-D456 VanDerWaalsContact NZ-OD2 3.08Å; K366-N478 PolarHBondContact N-O 3.41Å; K366-Y479 HydrophobicContact CB-CD1 3.59Å; K366-Y479 HydrophobicContact CB-CE1 3.83Å; K366-Y479 HydrophobicContact CD-CE1 4.28Å; K366-Y479 CarbonylContact O-C 3.6Å; K366-Y479 VanDerWaalsContact O-CA 3.25Å; K366-Y479 WeakPolarHBondContact O-CA 3.36Å; K366-N480 PolarHBondContact O-N 2.86Å
367L95.3Very high73.7Confident0 Ų065.2 Ų65.20%034%0.344CS..EExtended strand (participates in β ladder)trans-97.1136.8164.2177.764000108.3L441 F452 D454 V455 D456 V481 V483 L744L367-L441 HydrophobicContact CD2-CB 4.02Å; L367-L441 HydrophobicContact CD2-CD2 4.03Å; L367-F452 HydrophobicContact CB-CD1 3.9Å; L367-F452 HydrophobicContact CB-CE1 4.2Å; L367-F452 HydrophobicContact CB-CG 4.08Å; L367-F452 HydrophobicContact CD1-CE1 4.23Å; L367-F452 HydrophobicContact CD1-CZ 4.17Å; L367-D454 PolarHBondContact N-O 2.95Å; L367-V455 HydrophobicContact CB-CG2 4.3Å; L367-V455 HydrophobicContact CD2-CG2 4.24Å; L367-V455 CarbonylContact O-C 3.58Å; L367-V455 VanDerWaalsContact O-CA 3.3Å; L367-V455 WeakPolarHBondContact O-CA 3.42Å; L367-D456 PolarHBondContact O-N 3.28Å; L367-V481 HydrophobicContact CD1-CB 3.76Å; L367-V481 HydrophobicContact CD1-CG1 3.86Å; L367-V483 HydrophobicContact CD1-CG2 3.89Å; L367-L744 HydrophobicContact CD1-CD2 4.31Å; L367-L744 HydrophobicContact CD2-CD1 4.44Å
368V96.2Very high76.6Confident0 Ų059.7 Ų59.70%031%0.309CS..EExtended strand (participates in β ladder)trans-118.6135177.964.20000112.4I370 D456 I458 Y479 V481 V482 V483V368-I370 HydrophobicContact CG2-CD1 3.97Å; V368-D456 CarbonylContact C-O 3.05Å; V368-D456 WeakPolarHBondContact CA-O 3.49Å; V368-I458 HydrophobicContact CG2-CB 4.03Å; V368-I458 HydrophobicContact CG2-CD1 3.63Å; V368-I458 HydrophobicContact CG2-CG1 3.63Å; V368-Y479 HydrophobicContact CB-CD1 3.58Å; V368-Y479 HydrophobicContact CB-CD2 4.3Å; V368-Y479 HydrophobicContact CB-CE1 3.86Å; V368-Y479 HydrophobicContact CB-CG 3.85Å; V368-Y479 HydrophobicContact CG1-CD1 4.05Å; V368-Y479 HydrophobicContact CG1-CD2 4.12Å; V368-Y479 HydrophobicContact CG1-CG 3.78Å; V368-Y479 HydrophobicContact CG2-CD1 4.47Å; V368-Y479 HydrophobicContact CG2-CE1 4.3Å; V368-V481 PolarHBondContact N-O 3.25Å; V368-V482 HydrophobicContact CG1-CB 4.09Å; V368-V482 HydrophobicContact CG1-CG1 4.07Å; V368-V482 HydrophobicContact CG1-CG2 3.79Å; V368-V483 PolarHBondContact O-N 3.19Å
369L97.4Very high79.6Confident0 Ų052.5 Ų52.50%027%0.271CS..EExtended strand (participates in β ladder)trans-102.2114.6169.8-176.762.2000110.1L434 T437 L441 D456 L457 I458 V483 L485L369-L434 HydrophobicContact CD2-CD1 4.31Å; L369-T437 HydrophobicContact CD2-CG2 4.26Å; L369-L441 HydrophobicContact CB-CD1 3.98Å; L369-L441 HydrophobicContact CD1-CD1 3.89Å; L369-L441 HydrophobicContact CD2-CD1 3.93Å; L369-L441 HydrophobicContact CG-CD1 4.15Å; L369-D456 PolarHBondContact N-O 2.98Å; L369-L457 HydrophobicContact CB-CD1 4.2Å; L369-L457 HydrophobicContact CB-CG 4.26Å; L369-L457 HydrophobicContact CD2-CD1 4.43Å; L369-L457 HydrophobicContact CD2-CG 4.29Å; L369-L457 WeakPolarHBondContact O-CA 3.46Å; L369-I458 PolarHBondContact O-N 3.29Å; L369-V483 CarbonylContact C-O 3.56Å; L369-V483 WeakPolarHBondContact CA-O 3.4Å; L369-V483 HydrophobicContact CD1-CB 4.13Å; L369-V483 HydrophobicContact CD1-CG1 4.02Å; L369-L485 HydrophobicContact CD1-CD2 3.67Å; L369-L485 HydrophobicContact CD1-CG 3.89Å; L369-L485 HydrophobicContact CD2-CD1 4.41Å; L369-L485 HydrophobicContact CD2-CD2 4.27Å; L369-L485 HydrophobicContact CD2-CG 4.43Å; L369-L485 HydrophobicContact CG-CD2 4.32Å; L369-L485 HydrophobicContact CG-CG 4.23Å
370I96.4Very high82.3Confident8 Ų849.5 Ų49.54%0.04125%0.254CS..EExtended strand (participates in β ladder)trans-86.2126173.4-52.9-58.4000109.5V368 I458 L463 V482 V483 L485 W500V368-I370 HydrophobicContact CG2-CD1 3.97Å; I370-I458 VanDerWaalsContact CA-O 3.27Å; I370-I458 WeakPolarHBondContact CA-O 3.37Å; I370-I458 HydrophobicContact CD1-CB 3.87Å; I370-I458 HydrophobicContact CD1-CG2 4.22Å; I370-L463 HydrophobicContact CD1-CD1 4.24Å; I370-V482 HydrophobicContact CD1-CG1 4.31Å; I370-V482 HydrophobicContact CG1-CG1 3.56Å; I370-V483 PolarHBondContact N-O 3.16Å; I370-L485 PolarHBondContact O-N 3.42Å; I370-W500 HydrophobicContact CG1-CZ3 4.41Å
371F95.5Very high84.8Confident2 Ų246.2 Ų46.21%0.00924%0.24CC..EExtended strand (participates in β ladder)trans-127.1170.917769.6-88.9000111.4I375 T376 M395 L457 I458 R459 G460 L485F371-I375 HydrophobicContact CB-CD1 3.93Å; F371-I375 HydrophobicContact CD2-CB 4.09Å; F371-I375 HydrophobicContact CD2-CG2 4.44Å; F371-T376 HydrophobicContact CE2-CG2 3.92Å; F371-M395 HydrophobicContact CE1-SD 4.37Å; F371-M395 HydrophobicContact CE2-CB 4.32Å; F371-M395 HydrophobicContact CE2-SD 4.4Å; F371-M395 HydrophobicContact CZ-CB 3.8Å; F371-M395 HydrophobicContact CZ-CG 3.92Å; F371-M395 HydrophobicContact CZ-SD 3.95Å; F371-L457 HydrophobicContact CD1-CB 4.07Å; F371-L457 HydrophobicContact CD1-CG 4.5Å; F371-L457 HydrophobicContact CE1-CB 3.86Å; F371-I458 VanDerWaalsContact CD1-C 3.5Å; F371-I458 VanDerWaalsContact CD1-O 3.22Å; F371-I458 WeakPolarHBondContact CD1-O 3.38Å; F371-I458 WeakPolarHBondContact CE1-O 3.42Å; F371-I458 PolarHBondContact N-O 3.01Å; F371-R459 HydrophobicContact CD2-CB 4.5Å; F371-R459 HydrophobicContact CE1-CB 4.28Å; F371-R459 HydrophobicContact CE2-CB 3.75Å; F371-R459 HydrophobicContact CE2-CG 3.99Å; F371-R459 HydrophobicContact CZ-CB 3.62Å; F371-R459 HydrophobicContact CZ-CG 4.38Å; F371-R459 WeakPolarHBondContact O-CA 3.41Å; F371-G460 PolarHBondContact O-N 3.2Å; F371-L485 HydrophobicContact CB-CD1 3.67Å; F371-L485 HydrophobicContact CB-CG 4.34Å
372D92.2Very high87Confident6 Ų643.4 Ų43.43%0.03223%0.227CC..  trans-105.9171.7-175.589.5-15.9000113.5T374 I375 T489 D492D372-T374 VanDerWaalsContact CG-OG1 3.25Å; D372-T374 PolarHBondContact O-N 3.22Å; D372-T374 WeakPolarHBondContact OD1-CB 3.19Å; D372-T374 PolarHBondContact OD1-N 3.24Å; D372-T374 PolarHBondContact OD1-OG1 3.34Å; D372-T374 VanDerWaalsContact OD2-CG2 3.32Å; D372-T374 WeakPolarHBondContact OD2-CG2 3.39Å; D372-T374 PolarHBondContact OD2-OG1 3.15Å; D372-I375 PolarHBondContact O-N 3.14Å; D372-I375 PolarHBondContact OD1-N 3.43Å; D372-T489 HydrophobicContact CB-CG2 4.37Å; D372-T489 WeakPolarHBondContact OD2-CG2 3.21Å; D372-T489 PolarHBondContact OD2-N 3.45Å; D372-D492 WeakPolarHBondContact CA-OD2 3.46Å; D372-D492 HydrophobicContact CB-CB 4.18Å; D372-D492 WeakPolarHBondContact CB-OD2 3.38Å
373S91.5Very high88.8Confident22 Ų2238.6 Ų38.615%0.15421%0.207CC..Hα-helixtrans-71.5-15.8-176.9-56.50000113.5I375 T376 A377 R459 D492S373-I375 VanDerWaalsContact C-N 3.3Å; S373-I375 PolarHBondContact O-N 3.02Å; S373-T376 WeakPolarHBondContact CA-OG1 3.34Å; S373-T376 PolarHBondContact O-N 3.12Å; S373-T376 PolarHBondContact O-OG1 3.19Å; S373-A377 PolarHBondContact O-N 3.26Å; S373-R459 PolarHBondContact OG-NH1 3.45Å; S373-D492 WeakPolarHBondContact CB-OD2 3.32Å; S373-D492 PolarHBondContact N-OD2 3.06Å; S373-D492 PolarHBondContact OG-OD1 3.11Å; S373-D492 VanDerWaalsContact OG-OD1 3.11Å; S373-D492 PolarHBondContact OG-OD2 3.31Å
374T90.7Very high90.1Very high68 Ų6832.1 Ų32.142%0.41718%0.177SC..Hα-helixtrans-66.2-36.6176.372.50000111.1D372 T376 A377 Y378 T489D372-T374 VanDerWaalsContact CG-OG1 3.25Å; D372-T374 PolarHBondContact O-N 3.22Å; D372-T374 WeakPolarHBondContact OD1-CB 3.19Å; D372-T374 PolarHBondContact OD1-N 3.24Å; D372-T374 PolarHBondContact OD1-OG1 3.34Å; D372-T374 VanDerWaalsContact OD2-CG2 3.32Å; D372-T374 WeakPolarHBondContact OD2-CG2 3.39Å; D372-T374 PolarHBondContact OD2-OG1 3.15Å; T374-T376 PolarHBondContact O-N 3.09Å; T374-A377 WeakPolarHBondContact O-CB 3.45Å; T374-A377 PolarHBondContact O-N 3.02Å; T374-A377 VanDerWaalsContact O-N 3.13Å; T374-Y378 WeakPolarHBondContact O-CD1 3.36Å; T374-Y378 PolarHBondContact O-N 3.24Å; T374-Y378 VanDerWaalsContact O-N 3.12Å; T374-T489 HydrophobicContact CG2-CG2 3.67Å
375I92.7Very high90.5Very high3 Ų326.1 Ų26.12%0.01515%0.152CC..Hα-helixtrans-59.1-49.2175.2-58.9-164.7000111.3F371 D372 S373 A377 Y378 L379 L434 L485 I725F371-I375 HydrophobicContact CB-CD1 3.93Å; F371-I375 HydrophobicContact CD2-CB 4.09Å; F371-I375 HydrophobicContact CD2-CG2 4.44Å; D372-I375 PolarHBondContact O-N 3.14Å; D372-I375 PolarHBondContact OD1-N 3.43Å; S373-I375 VanDerWaalsContact C-N 3.3Å; S373-I375 PolarHBondContact O-N 3.02Å; I375-A377 VanDerWaalsContact C-N 3.26Å; I375-A377 PolarHBondContact O-N 3.34Å; I375-Y378 HydrophobicContact CB-CE1 4.21Å; I375-Y378 HydrophobicContact CG1-CE1 4.09Å; I375-L379 HydrophobicContact CG2-CD1 3.69Å; I375-L379 HydrophobicContact CG2-CG 4.44Å; I375-L379 WeakPolarHBondContact O-CB 3.42Å; I375-L379 WeakPolarHBondContact O-CD1 3.36Å; I375-L379 WeakPolarHBondContact O-CG 3.32Å; I375-L379 PolarHBondContact O-N 2.8Å; I375-L434 HydrophobicContact CD1-CD1 4.36Å; I375-L434 HydrophobicContact CD1-CD2 4.26Å; I375-L434 HydrophobicContact CG2-CD2 3.79Å; I375-L485 HydrophobicContact CD1-CD1 3.52Å; I375-I725 HydrophobicContact CD1-CD1 3.59Å; I375-I725 HydrophobicContact CG1-CD1 4.36Å
376T91.7Very high90.2Very high3 Ų327 Ų272%0.01817%0.165CC..Hα-helixtrans-61.1-37.6176.240.60000112.1F371 S373 T374 M380 M395 F396F371-T376 HydrophobicContact CE2-CG2 3.92Å; S373-T376 WeakPolarHBondContact CA-OG1 3.34Å; S373-T376 PolarHBondContact O-N 3.12Å; S373-T376 PolarHBondContact O-OG1 3.19Å; T374-T376 PolarHBondContact O-N 3.09Å; T376-M380 WeakPolarHBondContact O-CB 3.23Å; T376-M380 WeakPolarHBondContact O-CG 3.39Å; T376-M380 PolarHBondContact O-N 2.96Å; T376-M395 HydrophobicContact CG2-CB 3.53Å; T376-F396 HydrophobicContact CG2-CB 4.1Å
377A91.1Very high90Very high56 Ų5631.1 Ų31.146%0.46319%0.188SC..Hα-helixtrans-64.7-52.7-176.700000112.5S373 T374 I375 L379 M380 M381S373-A377 PolarHBondContact O-N 3.26Å; T374-A377 WeakPolarHBondContact O-CB 3.45Å; T374-A377 PolarHBondContact O-N 3.02Å; T374-A377 VanDerWaalsContact O-N 3.13Å; I375-A377 VanDerWaalsContact C-N 3.26Å; I375-A377 PolarHBondContact O-N 3.34Å; A377-L379 VanDerWaalsContact C-N 3.33Å; A377-L379 PolarHBondContact O-N 3.46Å; A377-M380 WeakPolarHBondContact O-CB 3.37Å; A377-M380 PolarHBondContact O-N 3.26Å; A377-M381 PolarHBondContact O-N 3.33Å
378Y89.9Confident89.8Confident9 Ų931.1 Ų31.14%0.03519%0.188CC..Hα-helixtrans-72-27.2-177.765.4-112.3000113T374 I375 M380 L384 Y427 A431T374-Y378 WeakPolarHBondContact O-CD1 3.36Å; T374-Y378 PolarHBondContact O-N 3.24Å; T374-Y378 VanDerWaalsContact O-N 3.12Å; I375-Y378 HydrophobicContact CB-CE1 4.21Å; I375-Y378 HydrophobicContact CG1-CE1 4.09Å; Y378-M380 VanDerWaalsContact C-N 3.31Å; Y378-L384 HydrophobicContact CD2-CD1 3.9Å; Y378-L384 HydrophobicContact CE2-CD1 4.41Å; Y378-Y427 AromaticContact CD1-CD1 3.65Å; Y378-Y427 HydrophobicContact CD1-CD1 3.65Å; Y378-Y427 HydrophobicContact CD1-CE1 4.21Å; Y378-Y427 HydrophobicContact CD1-CG 4.3Å; Y378-Y427 HydrophobicContact CE1-CD1 4.41Å; Y378-Y427 AromaticContact CG-CD1 3.81Å; Y378-Y427 HydrophobicContact CG-CD1 3.81Å; Y378-Y427 AromaticContact CG-CG 3.98Å; Y378-Y427 HydrophobicContact CG-CG 3.98Å; Y378-A431 HydrophobicContact CE2-CB 4.31Å
379L91.4Very high89.6Confident1 Ų136.5 Ų36.51%0.00521%0.211CC..Hα-helixtrans-70.4-29.7172.9-64.4173.4000111.9I375 A377 L384 L388 A392 M395 F409 L413I375-L379 HydrophobicContact CG2-CD1 3.69Å; I375-L379 HydrophobicContact CG2-CG 4.44Å; I375-L379 WeakPolarHBondContact O-CB 3.42Å; I375-L379 WeakPolarHBondContact O-CD1 3.36Å; I375-L379 WeakPolarHBondContact O-CG 3.32Å; I375-L379 PolarHBondContact O-N 2.8Å; A377-L379 VanDerWaalsContact C-N 3.33Å; A377-L379 PolarHBondContact O-N 3.46Å; L379-L384 HydrophobicContact CD2-CD1 4.35Å; L379-L388 HydrophobicContact CD2-CD1 3.87Å; L379-A392 HydrophobicContact CB-CB 3.62Å; L379-M395 HydrophobicContact CD1-CE 3.5Å; L379-F409 HydrophobicContact CD1-CE2 4Å; L379-F409 HydrophobicContact CD1-CZ 3.87Å; L379-L413 HydrophobicContact CD2-CD2 4.31Å
380M87Confident89.3Confident49 Ų4938.4 Ų38.424%0.24122%0.223CC..Hα-helixtrans-74.5-24.4177.5-81.8-61.6-65.700114.3M261 T376 A377 Y378 G382 K389 A392 V393M261-M380 HydrophobicContact CE-CE 3.58Å; T376-M380 WeakPolarHBondContact O-CB 3.23Å; T376-M380 WeakPolarHBondContact O-CG 3.39Å; T376-M380 PolarHBondContact O-N 2.96Å; A377-M380 WeakPolarHBondContact O-CB 3.37Å; A377-M380 PolarHBondContact O-N 3.26Å; Y378-M380 VanDerWaalsContact C-N 3.31Å; M380-G382 PolarHBondContact O-N 2.9Å; M380-G382 VanDerWaalsContact O-N 3.14Å; M380-K389 HydrophobicContact CE-CG 4.04Å; M380-K389 HydrophobicContact SD-CG 3.88Å; M380-A392 HydrophobicContact CG-CB 3.64Å; M380-A392 HydrophobicContact SD-CB 3.62Å; M380-V393 HydrophobicContact CE-CG2 3.65Å; M380-V393 HydrophobicContact SD-CB 4.39Å; M380-V393 HydrophobicContact SD-CG2 3.44Å; M380-V393 WeakPolarHBondContact SD-CG2 3.4Å
381M82.6Confident89.2Confident112 Ų11238.3 Ų38.355%0.55222%0.223SC*.THydrogen-bonded Turntrans-62.5-20.8-177.3-67.517876.700113.2A377 N383A377-M381 PolarHBondContact O-N 3.33Å; M381-N383 PolarHBondContact O-N 3.45Å; M381-N383 PolarHBondContact O-OD1 3.22Å
382G79.8Confident89.1Confident30 Ų3038.2 Ų38.231%0.30922%0.222SC..SBendtrans76.9-7.5178.100000115.1M380 L384M380-G382 PolarHBondContact O-N 2.9Å; M380-G382 VanDerWaalsContact O-N 3.14Å; G382-L384 VanDerWaalsContact C-N 3.29Å; G382-L384 PolarHBondContact O-N 3.49Å
383N83.8Confident89.1Confident85 Ų8538.4 Ų38.446%0.45522%0.224SC..SBendtrans-66.6-27.4180-64.2-7.5000113.4M381 V424M381-N383 PolarHBondContact O-N 3.45Å; M381-N383 PolarHBondContact O-OD1 3.22Å; N383-V424 HydrophobicContact CB-CG1 4.18Å; N383-V424 HydrophobicContact CB-CG2 4.45Å
384L86Confident89.2Confident6 Ų637.5 Ų37.53%0.03122%0.217CC..SBendtrans-84-44.6-179.4-63.7179.5000112.4Y378 L379 G382 L388 L416 V417 V424 R428 A431Y378-L384 HydrophobicContact CD2-CD1 3.9Å; Y378-L384 HydrophobicContact CE2-CD1 4.41Å; L379-L384 HydrophobicContact CD2-CD1 4.35Å; G382-L384 VanDerWaalsContact C-N 3.29Å; G382-L384 PolarHBondContact O-N 3.49Å; L384-L388 HydrophobicContact CB-CD1 4.15Å; L384-L416 HydrophobicContact CB-CD2 4.23Å; L384-V417 WeakPolarHBondContact O-CG2 3.42Å; L384-V417 PolarHBondContact O-N 3.13Å; L384-V424 HydrophobicContact CD2-CG1 4.08Å; L384-R428 HydrophobicContact CD2-CB 3.69Å; L384-R428 HydrophobicContact CD2-CG 4.33Å; L384-A431 HydrophobicContact CD1-CB 4.23Å
385S86.3Confident89.4Confident9 Ų934.3 Ų34.36%0.06320%0.198CC..  trans-168.8136.8170.7170.40000108.4N387 L388S385-N387 PolarHBondContact O-N 3.31Å; S385-N387 PolarHBondContact OG-N 3.04Å; S385-L388 PolarHBondContact O-N 3.4Å
386P83.3Confident89.3Confident95 Ų9538.4 Ų38.462%0.61722%0.215SC*.G310 helixtrans-65.6-27.1176.527.2-34.4000112.7L388 K389P386-L388 PolarHBondContact O-N 3Å; P386-K389 WeakPolarHBondContact O-CB 3.46Å; P386-K389 PolarHBondContact O-N 3.31Å
387N89.9Confident89.3Confident90 Ų9039 Ų3948%0.48122%0.218SC..G310 helixtrans-74.9-10-178.2-63.7-13.3000113.5S385 K389 P390 E412S385-N387 PolarHBondContact O-N 3.31Å; S385-N387 PolarHBondContact OG-N 3.04Å; N387-K389 VanDerWaalsContact C-N 3.34Å; N387-P390 WeakPolarHBondContact O-CD 3.4Å; N387-E412 VanDerWaalsContact CB-CD 3.45Å; N387-E412 HydrophobicContact CB-CG 4.07Å; N387-E412 WeakPolarHBondContact CB-OE2 3.44Å; N387-E412 PolarHBondContact ND2-OE2 3.04Å; N387-E412 VanDerWaalsContact ND2-OE2 3.12Å
388L91.5Very high89.3Confident0 Ų036.5 Ų36.50%020%0.197CC..G310 helixtrans-78.9-20.6174.7-72.5169.3000112.9L379 L384 S385 P386 H391 A392 F409 E412 L413 L416L379-L388 HydrophobicContact CD2-CD1 3.87Å; L384-L388 HydrophobicContact CB-CD1 4.15Å; S385-L388 PolarHBondContact O-N 3.4Å; P386-L388 PolarHBondContact O-N 3Å; L388-H391 PolarHBondContact O-N 3.49Å; L388-A392 PolarHBondContact O-N 2.96Å; L388-F409 HydrophobicContact CD2-CD2 4.03Å; L388-F409 HydrophobicContact CD2-CE2 3.86Å; L388-E412 HydrophobicContact CD2-CB 3.54Å; L388-E412 HydrophobicContact CG-CB 4.14Å; L388-L413 HydrophobicContact CD1-CD2 4.43Å; L388-L413 HydrophobicContact CD2-CD2 3.96Å; L388-L413 HydrophobicContact CD2-CG 4.27Å; L388-L416 HydrophobicContact CD1-CD2 3.53Å
389K91Very high89.4Confident112 Ų11236 Ų3649%0.48720%0.195SC..Hα-helixtrans-55.9-46.5-175.5-175.8179.8179.4179.50112.9M380 P386 N387 H391 A392 V393M380-K389 HydrophobicContact CE-CG 4.04Å; M380-K389 HydrophobicContact SD-CG 3.88Å; P386-K389 WeakPolarHBondContact O-CB 3.46Å; P386-K389 PolarHBondContact O-N 3.31Å; N387-K389 VanDerWaalsContact C-N 3.34Å; K389-H391 VanDerWaalsContact C-N 3.35Å; K389-H391 PolarHBondContact O-N 2.84Å; K389-A392 PolarHBondContact O-N 3.28Å; K389-V393 HydrophobicContact CG-CG2 4.36Å; K389-V393 WeakPolarHBondContact O-CG2 3.39Å; K389-V393 PolarHBondContact O-N 3.4Å
390P91.9Very high89.5Confident40 Ų4036.6 Ų36.626%0.2620%0.197SC..Hα-helixtrans-58-43.3176.9-2536.1000113.3T255 L256 N387 V393 T394T255-P390 HydrophobicContact CG2-CB 3.71Å; L256-P390 WeakPolarHBondContact O-CB 3.42Å; N387-P390 WeakPolarHBondContact O-CD 3.4Å; P390-V393 PolarHBondContact O-N 3.45Å; P390-T394 WeakPolarHBondContact O-CB 3.26Å; P390-T394 PolarHBondContact O-N 2.89Å; P390-T394 PolarHBondContact O-OG1 3.11Å
391H93.5Very high89.9Confident7 Ų734.3 Ų34.33%0.03219%0.186CC..Hα-helixtrans-64.9-41176.5-63.8-59000111.8T255 L388 K389 T394 M395 S408 F409T255-H391 WeakPolarHBondContact CG2-ND1 3.46Å; T255-H391 PolarHBondContact OG1-CE1 2.9Å; T255-H391 PolarHBondContact OG1-ND1 3.32Å; L388-H391 PolarHBondContact O-N 3.49Å; K389-H391 VanDerWaalsContact C-N 3.35Å; K389-H391 PolarHBondContact O-N 2.84Å; H391-T394 WeakPolarHBondContact O-CB 3.44Å; H391-T394 PolarHBondContact O-N 3.14Å; H391-M395 HydrophobicContact CB-CE 4.47Å; H391-M395 WeakPolarHBondContact O-CB 3.32Å; H391-M395 WeakPolarHBondContact O-CG 3.49Å; H391-M395 PolarHBondContact O-N 3.08Å; H391-S408 PolarHBondContact CE1-OG 3.48Å; H391-S408 PolarHBondContact NE2-OG 3.39Å; H391-F409 HydrophobicContact CB-CD2 3.63Å; H391-F409 HydrophobicContact CB-CE2 4.17Å; H391-F409 HydrophobicContact CB-CG 4.42Å; H391-F409 AromaticContact CD2-CD2 3.98Å; H391-F409 AromaticContact CG-CD2 3.8Å
392A93.6Very high90.3Very high0 Ų029.7 Ų29.70%017%0.165CC..Hα-helixtrans-67.3-40.8178.800000112.5L379 M380 L388 K389 T394 M395 F396L379-A392 HydrophobicContact CB-CB 3.62Å; M380-A392 HydrophobicContact CG-CB 3.64Å; M380-A392 HydrophobicContact SD-CB 3.62Å; L388-A392 PolarHBondContact O-N 2.96Å; K389-A392 PolarHBondContact O-N 3.28Å; A392-T394 VanDerWaalsContact C-N 3.34Å; A392-M395 HydrophobicContact CB-CE 4.49Å; A392-M395 PolarHBondContact O-N 2.85Å; A392-F396 WeakPolarHBondContact O-CB 3.4Å; A392-F396 PolarHBondContact O-N 3.15Å
393V91.9Very high90.9Very high10 Ų1028.8 Ų28.86%0.06115%0.153CC..Hα-helixtrans-59.7-46171172.80000110.5F259 M261 M380 K389 P390 M395 F396 E397F259-V393 HydrophobicContact CB-CG1 3.97Å; F259-V393 HydrophobicContact CD1-CG1 4.33Å; F259-V393 HydrophobicContact CG-CG1 4.44Å; M261-V393 HydrophobicContact CE-CG2 3.78Å; M261-V393 HydrophobicContact CG-CG1 4.36Å; M261-V393 HydrophobicContact SD-CB 4.39Å; M261-V393 HydrophobicContact SD-CG1 3.85Å; M261-V393 HydrophobicContact SD-CG2 3.96Å; M380-V393 HydrophobicContact CE-CG2 3.65Å; M380-V393 HydrophobicContact SD-CB 4.39Å; M380-V393 HydrophobicContact SD-CG2 3.44Å; M380-V393 WeakPolarHBondContact SD-CG2 3.4Å; K389-V393 HydrophobicContact CG-CG2 4.36Å; K389-V393 WeakPolarHBondContact O-CG2 3.39Å; K389-V393 PolarHBondContact O-N 3.4Å; P390-V393 PolarHBondContact O-N 3.45Å; V393-M395 PolarHBondContact O-N 2.92Å; V393-F396 PolarHBondContact O-N 3.06Å; V393-F396 VanDerWaalsContact O-N 3.16Å; V393-E397 HydrophobicContact CG1-CG 3.99Å; V393-E397 WeakPolarHBondContact O-CB 3.22Å; V393-E397 PolarHBondContact O-N 3.18Å
394T93.9Very high91Very high3 Ų329.5 Ų29.52%0.01816%0.157CC..Hα-helixtrans-59-49.7177.9-53.30000111L256 P390 H391 A392 F396 V398 G399 L401L256-T394 HydrophobicContact CG-CG2 4.38Å; L256-T394 PolarHBondContact N-OG1 3Å; P390-T394 WeakPolarHBondContact O-CB 3.26Å; P390-T394 PolarHBondContact O-N 2.89Å; P390-T394 PolarHBondContact O-OG1 3.11Å; H391-T394 WeakPolarHBondContact O-CB 3.44Å; H391-T394 PolarHBondContact O-N 3.14Å; A392-T394 VanDerWaalsContact C-N 3.34Å; T394-F396 PolarHBondContact O-N 2.84Å; T394-V398 HydrophobicContact CG2-CB 4.28Å; T394-V398 HydrophobicContact CG2-CG2 3.89Å; T394-V398 WeakPolarHBondContact O-CA 3.23Å; T394-V398 WeakPolarHBondContact O-CB 3.47Å; T394-V398 PolarHBondContact O-N 2.75Å; T394-G399 PolarHBondContact O-N 3.43Å; T394-L401 HydrophobicContact CG2-CD1 4.1Å
395M93.9Very high91.2Very high1 Ų129.9 Ų29.91%0.00516%0.16CC..Hα-helixtrans-60.7-29.1177.6-78.3-173.3-67.100113.4F371 T376 L379 H391 A392 V393 G399 L401 F409F371-M395 HydrophobicContact CE1-SD 4.37Å; F371-M395 HydrophobicContact CE2-CB 4.32Å; F371-M395 HydrophobicContact CE2-SD 4.4Å; F371-M395 HydrophobicContact CZ-CB 3.8Å; F371-M395 HydrophobicContact CZ-CG 3.92Å; F371-M395 HydrophobicContact CZ-SD 3.95Å; T376-M395 HydrophobicContact CG2-CB 3.53Å; L379-M395 HydrophobicContact CD1-CE 3.5Å; H391-M395 HydrophobicContact CB-CE 4.47Å; H391-M395 WeakPolarHBondContact O-CB 3.32Å; H391-M395 WeakPolarHBondContact O-CG 3.49Å; H391-M395 PolarHBondContact O-N 3.08Å; A392-M395 HydrophobicContact CB-CE 4.49Å; A392-M395 PolarHBondContact O-N 2.85Å; V393-M395 PolarHBondContact O-N 2.92Å; M395-G399 VanDerWaalsContact O-CA 3.23Å; M395-G399 WeakPolarHBondContact O-CA 3.41Å; M395-G399 PolarHBondContact O-N 2.94Å; M395-L401 HydrophobicContact CG-CB 3.99Å; M395-L401 HydrophobicContact CG-CD2 4.27Å; M395-L401 HydrophobicContact SD-CD2 4.24Å; M395-F409 HydrophobicContact CE-CE1 4.47Å; M395-F409 HydrophobicContact CE-CE2 3.82Å; M395-F409 HydrophobicContact CE-CZ 3.76Å; M395-F409 HydrophobicContact SD-CE1 4.48Å; M395-F409 HydrophobicContact SD-CZ 4.3Å
396F91.7Very high91.5Very high88 Ų8829.5 Ų29.539%0.38616%0.157SC..Hα-helixtrans-84.5-54.1179.2-172.7-98000112.8T376 A392 V393 T394T376-F396 HydrophobicContact CG2-CB 4.1Å; A392-F396 WeakPolarHBondContact O-CB 3.4Å; A392-F396 PolarHBondContact O-N 3.15Å; V393-F396 PolarHBondContact O-N 3.06Å; V393-F396 VanDerWaalsContact O-N 3.16Å; T394-F396 PolarHBondContact O-N 2.84Å
397E90.6Very high91.9Very high16 Ų1627.9 Ų27.98%0.07514%0.143CC..Hα-helixtrans-79.3-44.1-173-66.3-67148.400112.7N115 L256 F259 M261 Y274 V393N115-E397 PolarHBondContact ND2-OE2 2.98Å; N115-E397 VanDerWaalsContact ND2-OE2 3.12Å; L256-E397 HydrophobicContact CD1-CB 4.39Å; F259-E397 HydrophobicContact CD1-CB 4.44Å; F259-E397 HydrophobicContact CD1-CG 3.85Å; F259-E397 HydrophobicContact CE1-CB 4.12Å; F259-E397 HydrophobicContact CE1-CG 3.68Å; F259-E397 WeakPolarHBondContact CE1-OE2 3.46Å; F259-E397 HydrophobicContact CZ-CB 4.48Å; F259-E397 HydrophobicContact CZ-CG 4.5Å; M261-E397 HydrophobicContact CG-CG 3.78Å; M261-E397 WeakPolarHBondContact CG-OE1 3.48Å; M261-E397 HydrophobicContact SD-CG 3.82Å; M261-E397 VanDerWaalsContact SD-OE1 3.4Å; Y274-E397 WeakPolarHBondContact CD1-O 3.43Å; Y274-E397 WeakPolarHBondContact CE1-O 3.41Å; Y274-E397 PolarHBondContact OH-OE2 3.4Å; V393-E397 HydrophobicContact CG1-CG 3.99Å; V393-E397 WeakPolarHBondContact O-CB 3.22Å; V393-E397 PolarHBondContact O-N 3.18Å
398V91.7Very high92Very high3 Ų326 Ų262%0.01814%0.137CC..THydrogen-bonded Turntrans-78.1-32.4173.9-1730000110V253 L256 F277 V278 T394 K400V253-V398 HydrophobicContact CG1-CG1 3.96Å; V253-V398 HydrophobicContact CG1-CG2 3.86Å; L256-V398 HydrophobicContact CD1-CG2 3.51Å; L256-V398 HydrophobicContact CD2-CG2 4.42Å; L256-V398 HydrophobicContact CG-CG2 3.93Å; F277-V398 HydrophobicContact CB-CB 4.43Å; F277-V398 HydrophobicContact CB-CG1 3.89Å; F277-V398 HydrophobicContact CD2-CB 4.46Å; F277-V398 HydrophobicContact CD2-CG2 4.16Å; F277-V398 HydrophobicContact CE2-CG2 4.33Å; F277-V398 HydrophobicContact CG-CG1 4.19Å; F277-V398 HydrophobicContact CG-CG2 4.42Å; F277-V398 WeakPolarHBondContact O-CG1 3.22Å; V278-V398 VanDerWaalsContact CG2-O 3.23Å; V278-V398 WeakPolarHBondContact CG2-O 3.43Å; T394-V398 HydrophobicContact CG2-CB 4.28Å; T394-V398 HydrophobicContact CG2-CG2 3.89Å; T394-V398 WeakPolarHBondContact O-CA 3.23Å; T394-V398 WeakPolarHBondContact O-CB 3.47Å; T394-V398 PolarHBondContact O-N 2.75Å; V398-K400 PolarHBondContact O-N 2.96Å
399G92.7Very high92.2Very high0 Ų026 Ų260%014%0.137CC..SBendtrans80.9-3-175.800000114.3T394 M395 I458 R459 S462T394-G399 PolarHBondContact O-N 3.43Å; M395-G399 VanDerWaalsContact O-CA 3.23Å; M395-G399 WeakPolarHBondContact O-CA 3.41Å; M395-G399 PolarHBondContact O-N 2.94Å; G399-I458 WeakPolarHBondContact O-CA 3.44Å; G399-R459 PolarHBondContact O-N 3Å; G399-S462 VanDerWaalsContact CA-CB 3.43Å; G399-S462 WeakPolarHBondContact CA-OG 3.43Å; G399-S462 PolarHBondContact O-OG 3.46Å
400K93.9Very high92.4Very high12 Ų1221.3 Ų21.35%0.05212%0.118CC..EExtended strand (participates in β ladder)trans-141.4147.1-175.7179179.1173.2-1780111.1A280 D281 V398 D456 L457 I458 Y479A280-K400 PolarHBondContact O-NZ 3.25Å; D281-K400 IonicContact OD1-NZ 3.92Å; D281-K400 PolarHBondContact OD1-NZ 2.75Å; V398-K400 PolarHBondContact O-N 2.96Å; K400-D456 WeakPolarHBondContact CE-OD2 3.32Å; K400-D456 IonicContact NZ-OD2 3.08Å; K400-D456 PolarHBondContact NZ-OD2 3.2Å; K400-L457 CarbonylContact C-O 3.58Å; K400-L457 VanDerWaalsContact CA-O 3.26Å; K400-L457 WeakPolarHBondContact CA-O 3.28Å; K400-I458 HydrophobicContact CB-CG1 4.33Å; K400-I458 HydrophobicContact CD-CG1 4.47Å; K400-I458 HydrophobicContact CG-CG1 4.07Å; K400-Y479 WeakPolarHBondContact CE-OH 3.27Å; K400-Y479 PolarHBondContact NZ-OH 3.18Å; K400-Y479 VanDerWaalsContact NZ-OH 3.16Å
401L94.2Very high92.4Very high2 Ų224.8 Ų24.81%0.0113%0.129CC..EExtended strand (participates in β ladder)trans-129.4117.6167.4-167.770.3000108.8T394 M395 L406 F409 L457T394-L401 HydrophobicContact CG2-CD1 4.1Å; M395-L401 HydrophobicContact CG-CB 3.99Å; M395-L401 HydrophobicContact CG-CD2 4.27Å; M395-L401 HydrophobicContact SD-CD2 4.24Å; L401-L406 HydrophobicContact CD2-CD2 3.78Å; L401-L406 HydrophobicContact CG-CD2 4.2Å; L401-F409 HydrophobicContact CD2-CB 3.9Å; L401-F409 HydrophobicContact CD2-CD1 3.81Å; L401-F409 HydrophobicContact CD2-CE1 4.49Å; L401-F409 HydrophobicContact CD2-CG 3.87Å; L401-L457 HydrophobicContact CB-CB 4.27Å; L401-L457 PolarHBondContact N-O 3.44Å; L401-L457 PolarHBondContact O-N 3.41Å
402S92.3Very high92.4Very high14 Ų1425.6 Ų25.610%0.09813%0.133CC..  trans-79.2160.9-178.760.90000113.1D404 S405 L406 D456S402-D404 PolarHBondContact O-N 3.19Å; S402-S405 PolarHBondContact O-N 3.19Å; S402-L406 PolarHBondContact O-N 3.43Å; S402-L406 VanDerWaalsContact O-N 3.14Å; S402-D456 VanDerWaalsContact CA-OD1 3.3Å; S402-D456 WeakPolarHBondContact CA-OD1 3.37Å
403D90.7Very high92.3Very high11 Ų1125.6 Ų25.66%0.05913%0.133CC..Hα-helixtrans-54.1-35.7178.5-167.187.2000113.5S405 L406 R442 D454 V455 D456D403-S405 VanDerWaalsContact C-N 3.26Å; D403-S405 PolarHBondContact O-N 2.94Å; D403-L406 HydrophobicContact CB-CD1 4.49Å; D403-L406 WeakPolarHBondContact O-CB 3.42Å; D403-L406 PolarHBondContact O-N 3.37Å; D403-R442 IonicContact OD1-CZ 3.1Å; D403-R442 IonicContact OD1-NE 3.64Å; D403-R442 PolarHBondContact OD1-NE 3.23Å; D403-R442 IonicContact OD1-NH2 3.84Å; D403-R442 PolarHBondContact OD1-NH2 2.7Å; D403-R442 IonicContact OD2-CZ 3.84Å; D403-R442 IonicContact OD2-NE 2.85Å; D403-R442 IonicContact OD2-NH2 2.77Å; D403-R442 PolarHBondContact OD2-NH2 2.77Å; D403-D454 HydrophobicContact CB-CB 3.76Å; D403-V455 WeakPolarHBondContact CA-O 3.27Å; D403-V455 WeakPolarHBondContact CB-O 3.34Å; D403-V455 PolarHBondContact N-O 3.04Å; D403-D456 PolarHBondContact N-OD1 3.4Å; D403-D456 VanDerWaalsContact N-OD1 3.16Å
404D87.1Confident92.2Very high101 Ų10128.7 Ų28.754%0.5415%0.149SC..Hα-helixtrans-54.9-42.7175.9-78.5-24.8000112S402S402-D404 PolarHBondContact O-N 3.19Å
405S90.2Very high92Very high14 Ų1433.8 Ų33.810%0.09817%0.172CC..Hα-helixtrans-82.6-16.8178.6-65.50000113.2T255 S402 D403 N407 S408 F409T255-S405 PolarHBondContact OG1-OG 3.28Å; S402-S405 PolarHBondContact O-N 3.19Å; D403-S405 VanDerWaalsContact C-N 3.26Å; D403-S405 PolarHBondContact O-N 2.94Å; S405-N407 VanDerWaalsContact C-N 3.28Å; S405-N407 PolarHBondContact O-N 3.12Å; S405-S408 PolarHBondContact O-N 3.39Å; S405-F409 PolarHBondContact O-N 3.3Å; S405-F409 VanDerWaalsContact O-N 3.08Å
406L91.9Very high91.7Very high0 Ų034.5 Ų34.50%018%0.176CC..Hα-helixtrans-63.9-31.8-179-71.6-176.5000113.2L401 S402 D403 S408 F409 V410 I438 V455 L457L401-L406 HydrophobicContact CD2-CD2 3.78Å; L401-L406 HydrophobicContact CG-CD2 4.2Å; S402-L406 PolarHBondContact O-N 3.43Å; S402-L406 VanDerWaalsContact O-N 3.14Å; D403-L406 HydrophobicContact CB-CD1 4.49Å; D403-L406 WeakPolarHBondContact O-CB 3.42Å; D403-L406 PolarHBondContact O-N 3.37Å; L406-S408 VanDerWaalsContact C-N 3.35Å; L406-S408 PolarHBondContact O-N 2.88Å; L406-F409 HydrophobicContact CD2-CD1 4.31Å; L406-F409 PolarHBondContact O-N 3.13Å; L406-V410 VanDerWaalsContact O-CB 3.23Å; L406-V410 WeakPolarHBondContact O-CB 3.43Å; L406-V410 VanDerWaalsContact O-CG2 3.28Å; L406-V410 WeakPolarHBondContact O-CG2 3.47Å; L406-V410 PolarHBondContact O-N 2.73Å; L406-I438 HydrophobicContact CD1-CG2 4.29Å; L406-V455 HydrophobicContact CD1-CB 4.38Å; L406-V455 WeakPolarHBondContact CD1-O 3.23Å; L406-L457 HydrophobicContact CD1-CD1 3.89Å; L406-L457 HydrophobicContact CD2-CD1 3.66Å; L406-L457 HydrophobicContact CD2-CD2 3.95Å; L406-L457 HydrophobicContact CD2-CG 4.3Å; L406-L457 HydrophobicContact CG-CD1 4.4Å
407N92Very high91.5Very high61 Ų6133.6 Ų33.633%0.32618%0.178SC..Hα-helixtrans-63.2-43.4178.3-61.3-58.3000111.6S405 F411 R442S405-N407 VanDerWaalsContact C-N 3.28Å; S405-N407 PolarHBondContact O-N 3.12Å; N407-F411 VanDerWaalsContact O-CB 3.32Å; N407-F411 WeakPolarHBondContact O-CB 3.47Å; N407-F411 PolarHBondContact O-N 3.37Å; N407-R442 PolarHBondContact OD1-NH1 3.35Å; N407-R442 PolarHBondContact OD1-NH2 3.49Å
408S92.8Very high90.9Very high51 Ų5138.4 Ų38.436%0.35721%0.21SC..Hα-helixtrans-65-46.4175.5-172.30000110.6H391 S405 L406 V410 F411 E412H391-S408 PolarHBondContact CE1-OG 3.48Å; H391-S408 PolarHBondContact NE2-OG 3.39Å; S405-S408 PolarHBondContact O-N 3.39Å; L406-S408 VanDerWaalsContact C-N 3.35Å; L406-S408 PolarHBondContact O-N 2.88Å; S408-V410 PolarHBondContact O-N 3.49Å; S408-F411 WeakPolarHBondContact O-CB 3.37Å; S408-F411 PolarHBondContact O-N 3.23Å; S408-F411 VanDerWaalsContact O-N 3.11Å; S408-E412 PolarHBondContact O-N 3.48Å
409F94.7Very high90.2Very high0 Ų040.5 Ų40.50%022%0.223CC..Hα-helixtrans-61.7-46.2-179.8178.7-127000112.7L379 L388 H391 M395 L401 S405 L406 F411 E412 L413 L434 I438 L457L379-F409 HydrophobicContact CD1-CE2 4Å; L379-F409 HydrophobicContact CD1-CZ 3.87Å; L388-F409 HydrophobicContact CD2-CD2 4.03Å; L388-F409 HydrophobicContact CD2-CE2 3.86Å; H391-F409 HydrophobicContact CB-CD2 3.63Å; H391-F409 HydrophobicContact CB-CE2 4.17Å; H391-F409 HydrophobicContact CB-CG 4.42Å; H391-F409 AromaticContact CD2-CD2 3.98Å; H391-F409 AromaticContact CG-CD2 3.8Å; M395-F409 HydrophobicContact CE-CE1 4.47Å; M395-F409 HydrophobicContact CE-CE2 3.82Å; M395-F409 HydrophobicContact CE-CZ 3.76Å; M395-F409 HydrophobicContact SD-CE1 4.48Å; M395-F409 HydrophobicContact SD-CZ 4.3Å; L401-F409 HydrophobicContact CD2-CB 3.9Å; L401-F409 HydrophobicContact CD2-CD1 3.81Å; L401-F409 HydrophobicContact CD2-CE1 4.49Å; L401-F409 HydrophobicContact CD2-CG 3.87Å; S405-F409 PolarHBondContact O-N 3.3Å; S405-F409 VanDerWaalsContact O-N 3.08Å; L406-F409 HydrophobicContact CD2-CD1 4.31Å; L406-F409 PolarHBondContact O-N 3.13Å; F409-F411 VanDerWaalsContact C-N 3.28Å; F409-F411 PolarHBondContact O-N 2.93Å; F409-E412 PolarHBondContact O-N 3.06Å; F409-L413 HydrophobicContact CD1-CD1 4.07Å; F409-L413 HydrophobicContact CD2-CG 4.41Å; F409-L413 HydrophobicContact CE1-CD1 3.66Å; F409-L413 HydrophobicContact CE1-CG 4.46Å; F409-L413 HydrophobicContact CE2-CD1 4.16Å; F409-L413 HydrophobicContact CE2-CD2 4.24Å; F409-L413 HydrophobicContact CE2-CG 4.1Å; F409-L413 HydrophobicContact CZ-CD1 3.71Å; F409-L413 HydrophobicContact CZ-CD2 4.27Å; F409-L413 HydrophobicContact CZ-CG 4.14Å; F409-L413 WeakPolarHBondContact O-CG 3.47Å; F409-L413 PolarHBondContact O-N 2.92Å; F409-L434 HydrophobicContact CE1-CD2 4.27Å; F409-L434 HydrophobicContact CZ-CD2 4.18Å; F409-I438 HydrophobicContact CD1-CD1 4.13Å; F409-I438 HydrophobicContact CE1-CD1 3.89Å; F409-L457 HydrophobicContact CE1-CD2 4.32Å
410V94.4Very high88.9Confident13 Ų1345.8 Ų45.88%0.07926%0.26CS..Hα-helixtrans-57.4-42.6172.9154.90000111.6L406 S408 E412 L413 N414 I438 H439L406-V410 VanDerWaalsContact O-CB 3.23Å; L406-V410 WeakPolarHBondContact O-CB 3.43Å; L406-V410 VanDerWaalsContact O-CG2 3.28Å; L406-V410 WeakPolarHBondContact O-CG2 3.47Å; L406-V410 PolarHBondContact O-N 2.73Å; S408-V410 PolarHBondContact O-N 3.49Å; V410-E412 VanDerWaalsContact C-N 3.32Å; V410-L413 CarbonylContact O-C 3.59Å; V410-L413 PolarHBondContact O-N 3.23Å; V410-N414 PolarHBondContact O-N 3.16Å; V410-N414 PolarHBondContact O-ND2 2.95Å; V410-I438 HydrophobicContact CG2-CG2 4.03Å; V410-H439 WeakPolarHBondContact CG1-CE1 3.46Å
411F93.4Very high88Confident113 Ų11353 Ų5350%0.49629%0.294SS..Hα-helixtrans-61.2-44.6179.5177.5-91.1000110.5N407 S408 F409 L413 N414 H415N407-F411 VanDerWaalsContact O-CB 3.32Å; N407-F411 WeakPolarHBondContact O-CB 3.47Å; N407-F411 PolarHBondContact O-N 3.37Å; S408-F411 WeakPolarHBondContact O-CB 3.37Å; S408-F411 PolarHBondContact O-N 3.23Å; S408-F411 VanDerWaalsContact O-N 3.11Å; F409-F411 VanDerWaalsContact C-N 3.28Å; F409-F411 PolarHBondContact O-N 2.93Å; F411-L413 PolarHBondContact O-N 3.41Å; F411-N414 WeakPolarHBondContact O-CB 3.45Å; F411-N414 PolarHBondContact O-N 3.33Å; F411-N414 VanDerWaalsContact O-N 3.11Å; F411-H415 AromaticContact CD2-CE1 3.86Å; F411-H415 AromaticContact CE1-CE1 3.87Å; F411-H415 AromaticContact CE1-ND1 3.87Å; F411-H415 AromaticContact CE2-CE1 3.39Å; F411-H415 WeakPolarHBondContact CE2-CE1 3.27Å; F411-H415 AromaticContact CZ-CE1 3.39Å; F411-H415 WeakPolarHBondContact CZ-CE1 3.03Å; F411-H415 AromaticContact CZ-ND1 3.88Å; F411-H415 PolarHBondContact O-ND1 3.42Å
412E92.6Very high87.5Confident24 Ų2455.8 Ų55.811%0.11232%0.323CS..Hα-helixtrans-65.5-37.9175.2-61.9-52.314800112.4N387 L388 S408 F409 V410 N414 H415N387-E412 VanDerWaalsContact CB-CD 3.45Å; N387-E412 HydrophobicContact CB-CG 4.07Å; N387-E412 WeakPolarHBondContact CB-OE2 3.44Å; N387-E412 PolarHBondContact ND2-OE2 3.04Å; N387-E412 VanDerWaalsContact ND2-OE2 3.12Å; L388-E412 HydrophobicContact CD2-CB 3.54Å; L388-E412 HydrophobicContact CG-CB 4.14Å; S408-E412 PolarHBondContact O-N 3.48Å; F409-E412 PolarHBondContact O-N 3.06Å; V410-E412 VanDerWaalsContact C-N 3.32Å; E412-N414 PolarHBondContact O-N 2.9Å; E412-H415 PolarHBondContact O-N 3.01Å
413L92.5Very high87Confident0 Ų062 Ų620%035%0.351CS..Hα-helixtrans-64.8-17.1173-68.8177.9000113.8L379 L388 F409 V410 F411 L416 A431 R435L379-L413 HydrophobicContact CD2-CD2 4.31Å; L388-L413 HydrophobicContact CD1-CD2 4.43Å; L388-L413 HydrophobicContact CD2-CD2 3.96Å; L388-L413 HydrophobicContact CD2-CG 4.27Å; F409-L413 HydrophobicContact CD1-CD1 4.07Å; F409-L413 HydrophobicContact CD2-CG 4.41Å; F409-L413 HydrophobicContact CE1-CD1 3.66Å; F409-L413 HydrophobicContact CE1-CG 4.46Å; F409-L413 HydrophobicContact CE2-CD1 4.16Å; F409-L413 HydrophobicContact CE2-CD2 4.24Å; F409-L413 HydrophobicContact CE2-CG 4.1Å; F409-L413 HydrophobicContact CZ-CD1 3.71Å; F409-L413 HydrophobicContact CZ-CD2 4.27Å; F409-L413 HydrophobicContact CZ-CG 4.14Å; F409-L413 WeakPolarHBondContact O-CG 3.47Å; F409-L413 PolarHBondContact O-N 2.92Å; V410-L413 CarbonylContact O-C 3.59Å; V410-L413 PolarHBondContact O-N 3.23Å; F411-L413 PolarHBondContact O-N 3.41Å; L413-L416 HydrophobicContact CD2-CD2 4.39Å; L413-L416 WeakPolarHBondContact O-CG 3.39Å; L413-A431 HydrophobicContact CD2-CB 3.99Å; L413-R435 HydrophobicContact CB-CB 4.15Å; L413-R435 HydrophobicContact CB-CG 4.25Å; L413-R435 HydrophobicContact CD1-CB 3.97Å
414N89.8Confident86.7Confident75 Ų7563.2 Ų63.240%0.40136%0.358SS..Hα-helixtrans-79.3-22.3172.1-70.5-39.5000112.8V410 F411 E412 R435V410-N414 PolarHBondContact O-N 3.16Å; V410-N414 PolarHBondContact O-ND2 2.95Å; F411-N414 WeakPolarHBondContact O-CB 3.45Å; F411-N414 PolarHBondContact O-N 3.33Å; F411-N414 VanDerWaalsContact O-N 3.11Å; E412-N414 PolarHBondContact O-N 2.9Å; N414-R435 WeakPolarHBondContact OD1-CD 3.24Å; N414-R435 PolarHBondContact OD1-NH1 3.37Å
415H89.8Confident86.6Confident110 Ų11058.8 Ų58.851%0.50934%0.337SS..SBendtrans-110.732.2-171.2-62.590.2000112.4F411 E412F411-H415 AromaticContact CD2-CE1 3.86Å; F411-H415 AromaticContact CE1-CE1 3.87Å; F411-H415 AromaticContact CE1-ND1 3.87Å; F411-H415 AromaticContact CE2-CE1 3.39Å; F411-H415 WeakPolarHBondContact CE2-CE1 3.27Å; F411-H415 AromaticContact CZ-CE1 3.39Å; F411-H415 WeakPolarHBondContact CZ-CE1 3.03Å; F411-H415 AromaticContact CZ-ND1 3.88Å; F411-H415 PolarHBondContact O-ND1 3.42Å; E412-H415 PolarHBondContact O-N 3.01Å
416L87.9Confident86.4Confident16 Ų1660.8 Ų60.88%0.08435%0.348CS..  trans-66.8142.6176.6-54.5-177.3000111.4L384 L388 L413 R428 A431 L432L384-L416 HydrophobicContact CB-CD2 4.23Å; L388-L416 HydrophobicContact CD1-CD2 3.53Å; L413-L416 HydrophobicContact CD2-CD2 4.39Å; L413-L416 WeakPolarHBondContact O-CG 3.39Å; L416-R428 HydrophobicContact CB-CG 4.49Å; L416-R428 HydrophobicContact CD1-CG 4.17Å; L416-A431 HydrophobicContact CD1-CB 3.75Å; L416-L432 HydrophobicContact CD1-CD2 4.15Å; L416-L432 HydrophobicContact CD1-CG 4.27Å
417V86.3Confident86.3Confident69 Ų6964.2 Ų64.242%0.41836%0.361SS..  trans-58.1135175.1-177.30000109.6L384 V419 R428L384-V417 WeakPolarHBondContact O-CG2 3.42Å; L384-V417 PolarHBondContact O-N 3.13Å; V417-V419 VanDerWaalsContact C-N 3.34Å; V417-V419 HydrophobicContact CB-CG2 4.17Å; V417-V419 HydrophobicContact CG1-CG2 3.66Å; V417-V419 PolarHBondContact O-N 3.25Å; V417-R428 WeakPolarHBondContact O-CD 3.39Å; V417-R428 PolarHBondContact O-NE 3.36Å
418P78.5Confident86.1Confident117 Ų11764 Ų6476%0.7636%0.356SS*.  trans-73.288175.530.1-33.7000109.8
419V75.6Confident85.9Confident48 Ų4865.2 Ų65.229%0.29136%0.356SS..  trans-118.8125.3172.9-174.40000108.2V417 V424 R428V417-V419 VanDerWaalsContact C-N 3.34Å; V417-V419 HydrophobicContact CB-CG2 4.17Å; V417-V419 HydrophobicContact CG1-CG2 3.66Å; V417-V419 PolarHBondContact O-N 3.25Å; V419-V424 HydrophobicContact CB-CG1 4.21Å; V419-V424 HydrophobicContact CG1-CB 4.25Å; V419-V424 HydrophobicContact CG1-CG1 3.99Å; V419-R428 WeakPolarHBondContact O-CD 3.46Å
420S67.3Low85.8Confident110 Ų11067 Ų6777%0.76936%0.363SS*.  trans-113.5-10.8-178.749.10000114.2
421E74.4Confident85.7Confident164 Ų16466.3 Ų66.377%0.76636%0.359SS*.SBendtrans-103.2142.8-173.4-67.2-175.8-17900112.6
422G82.4Confident85.6Confident60 Ų6062.2 Ų62.262%0.61934%0.342SS*.Hα-helixtrans71.4-165.7176.600000115V424 G425G422-V424 PolarHBondContact O-N 2.86Å; G422-G425 PolarHBondContact O-N 2.66Å; G422-G425 VanDerWaalsContact O-N 3.1Å
423E82.5Confident85.7Confident145 Ų14561.1 Ų61.168%0.67834%0.337SS*.Hα-helixtrans-59.7-31.6179.8-63.7180-179.800112.7G425 V426 Y427E423-G425 VanDerWaalsContact C-N 3.29Å; E423-G425 PolarHBondContact O-N 3.31Å; E423-V426 WeakPolarHBondContact O-CB 3.38Å; E423-V426 PolarHBondContact O-N 3.31Å; E423-V426 VanDerWaalsContact O-N 3.1Å; E423-Y427 HydrophobicContact CB-CD2 4.47Å; E423-Y427 HydrophobicContact CB-CE2 3.94Å; E423-Y427 WeakPolarHBondContact O-CD2 3.3Å; E423-Y427 PolarHBondContact O-N 3.15Å
424V84.2Confident85.8Confident37 Ų3761.2 Ų61.222%0.22434%0.338CS..Hα-helixtrans-62.3-38.9177.1-177.90000111.1N383 L384 V419 G422 V426 Y427 R428N383-V424 HydrophobicContact CB-CG1 4.18Å; N383-V424 HydrophobicContact CB-CG2 4.45Å; L384-V424 HydrophobicContact CD2-CG1 4.08Å; V419-V424 HydrophobicContact CB-CG1 4.21Å; V419-V424 HydrophobicContact CG1-CB 4.25Å; V419-V424 HydrophobicContact CG1-CG1 3.99Å; G422-V424 PolarHBondContact O-N 2.86Å; V424-V426 VanDerWaalsContact C-N 3.31Å; V424-V426 PolarHBondContact O-N 2.68Å; V424-Y427 PolarHBondContact O-N 3.19Å; V424-R428 WeakPolarHBondContact O-CB 3.46Å; V424-R428 PolarHBondContact O-N 2.97Å
425G86.2Confident86Confident8 Ų860.4 Ų60.48%0.08233%0.329CS..Hα-helixtrans-60.4-40.7173.400000112.1G422 E423 R428 E429G422-G425 PolarHBondContact O-N 2.66Å; G422-G425 VanDerWaalsContact O-N 3.1Å; E423-G425 VanDerWaalsContact C-N 3.29Å; E423-G425 PolarHBondContact O-N 3.31Å; G425-R428 WeakPolarHBondContact O-CB 3.44Å; G425-R428 PolarHBondContact O-N 2.81Å; G425-E429 WeakPolarHBondContact O-CG 3.3Å; G425-E429 PolarHBondContact O-N 2.87Å; G425-E429 VanDerWaalsContact O-N 3.09Å
426V85.8Confident86.2Confident55 Ų5559 Ų5933%0.33332%0.322SS..Hα-helixtrans-64.4-49.7176.9-179.90000111.2E423 V424 R428 E429 Y430E423-V426 WeakPolarHBondContact O-CB 3.38Å; E423-V426 PolarHBondContact O-N 3.31Å; E423-V426 VanDerWaalsContact O-N 3.1Å; V424-V426 VanDerWaalsContact C-N 3.31Å; V424-V426 PolarHBondContact O-N 2.68Å; V426-R428 PolarHBondContact O-N 3.39Å; V426-E429 PolarHBondContact O-N 3.22Å; V426-E429 VanDerWaalsContact O-N 3.11Å; V426-Y430 HydrophobicContact CG1-CD1 4.26Å; V426-Y430 HydrophobicContact CG1-CD2 4.45Å; V426-Y430 HydrophobicContact CG1-CE1 3.56Å; V426-Y430 HydrophobicContact CG1-CE2 3.82Å; V426-Y430 WeakPolarHBondContact CG1-OH 3.31Å; V426-Y430 VanDerWaalsContact O-CD1 3.32Å; V426-Y430 WeakPolarHBondContact O-CD1 3.43Å; V426-Y430 PolarHBondContact O-N 2.99Å
427Y88.5Confident86.6Confident73 Ų7358.3 Ų58.329%0.28632%0.318SS..Hα-helixtrans-62.3-33.2177.5-61.7-48.9000112.7Y378 E423 V424 Y430 A431Y378-Y427 AromaticContact CD1-CD1 3.65Å; Y378-Y427 HydrophobicContact CD1-CD1 3.65Å; Y378-Y427 HydrophobicContact CD1-CE1 4.21Å; Y378-Y427 HydrophobicContact CD1-CG 4.3Å; Y378-Y427 HydrophobicContact CE1-CD1 4.41Å; Y378-Y427 AromaticContact CG-CD1 3.81Å; Y378-Y427 HydrophobicContact CG-CD1 3.81Å; Y378-Y427 AromaticContact CG-CG 3.98Å; Y378-Y427 HydrophobicContact CG-CG 3.98Å; E423-Y427 HydrophobicContact CB-CD2 4.47Å; E423-Y427 HydrophobicContact CB-CE2 3.94Å; E423-Y427 WeakPolarHBondContact O-CD2 3.3Å; E423-Y427 PolarHBondContact O-N 3.15Å; V424-Y427 PolarHBondContact O-N 3.19Å; Y427-Y430 HydrophobicContact CD1-CD2 4.28Å; Y427-Y430 PolarHBondContact O-N 3.34Å; Y427-A431 WeakPolarHBondContact O-CB 3.33Å; Y427-A431 PolarHBondContact O-N 3.2Å
428R89Confident87.1Confident55 Ų5555 Ų5521%0.20830%0.298CS..Hα-helixtrans-62.3-46.4173.2-175.5-175.3174.7-79.6-4.3111.4L384 L416 V417 V419 V424 G425 V426 Y430 A431 L432L384-R428 HydrophobicContact CD2-CB 3.69Å; L384-R428 HydrophobicContact CD2-CG 4.33Å; L416-R428 HydrophobicContact CB-CG 4.49Å; L416-R428 HydrophobicContact CD1-CG 4.17Å; V417-R428 WeakPolarHBondContact O-CD 3.39Å; V417-R428 PolarHBondContact O-NE 3.36Å; V419-R428 WeakPolarHBondContact O-CD 3.46Å; V424-R428 WeakPolarHBondContact O-CB 3.46Å; V424-R428 PolarHBondContact O-N 2.97Å; G425-R428 WeakPolarHBondContact O-CB 3.44Å; G425-R428 PolarHBondContact O-N 2.81Å; V426-R428 PolarHBondContact O-N 3.39Å; R428-Y430 VanDerWaalsContact C-N 3.3Å; R428-Y430 PolarHBondContact O-N 3.32Å; R428-A431 PolarHBondContact O-N 3.31Å; R428-L432 WeakPolarHBondContact O-CG 2.98Å; R428-L432 PolarHBondContact O-N 3.05Å
429E88.9Confident87.9Confident78 Ų7853.9 Ų53.936%0.36428%0.282SS..Hα-helixtrans-61.3-40.7176-69.7-58.9126.800111.3G425 V426 A431 L432 N433G425-E429 WeakPolarHBondContact O-CG 3.3Å; G425-E429 PolarHBondContact O-N 2.87Å; G425-E429 VanDerWaalsContact O-N 3.09Å; V426-E429 PolarHBondContact O-N 3.22Å; V426-E429 VanDerWaalsContact O-N 3.11Å; E429-A431 PolarHBondContact O-N 3.16Å; E429-L432 PolarHBondContact O-N 2.79Å; E429-N433 WeakPolarHBondContact O-CB 2.9Å; E429-N433 PolarHBondContact O-N 3.42Å; E429-N433 PolarHBondContact O-ND2 3.44Å
430Y91Very high88.8Confident36 Ų3652.8 Ų52.814%0.14127%0.274CS..Hα-helixtrans-62.4-42.4176.4-64.6-0.7000111.8V426 Y427 R428 L432 N433 L434 F726V426-Y430 HydrophobicContact CG1-CD1 4.26Å; V426-Y430 HydrophobicContact CG1-CD2 4.45Å; V426-Y430 HydrophobicContact CG1-CE1 3.56Å; V426-Y430 HydrophobicContact CG1-CE2 3.82Å; V426-Y430 WeakPolarHBondContact CG1-OH 3.31Å; V426-Y430 VanDerWaalsContact O-CD1 3.32Å; V426-Y430 WeakPolarHBondContact O-CD1 3.43Å; V426-Y430 PolarHBondContact O-N 2.99Å; Y427-Y430 HydrophobicContact CD1-CD2 4.28Å; Y427-Y430 PolarHBondContact O-N 3.34Å; R428-Y430 VanDerWaalsContact C-N 3.3Å; R428-Y430 PolarHBondContact O-N 3.32Å; Y430-L432 PolarHBondContact O-N 3.09Å; Y430-N433 PolarHBondContact O-N 3.06Å; Y430-L434 WeakPolarHBondContact O-CB 3.36Å; Y430-L434 PolarHBondContact O-N 2.67Å; Y430-F726 HydrophobicContact CD1-CB 4.41Å; Y430-F726 HydrophobicContact CE1-CB 3.74Å; Y430-F726 VanDerWaalsContact CE1-O 3.28Å; Y430-F726 WeakPolarHBondContact CE1-O 3.2Å
431A92.5Very high90.1Very high0 Ų047.6 Ų47.60%024%0.237CC..Hα-helixtrans-63.5-39.6176.200000112.3Y378 L384 L413 L416 Y427 R428 E429 L434 R435Y378-A431 HydrophobicContact CE2-CB 4.31Å; L384-A431 HydrophobicContact CD1-CB 4.23Å; L413-A431 HydrophobicContact CD2-CB 3.99Å; L416-A431 HydrophobicContact CD1-CB 3.75Å; Y427-A431 WeakPolarHBondContact O-CB 3.33Å; Y427-A431 PolarHBondContact O-N 3.2Å; R428-A431 PolarHBondContact O-N 3.31Å; E429-A431 PolarHBondContact O-N 3.16Å; A431-L434 PolarHBondContact O-N 2.96Å; A431-R435 PolarHBondContact O-N 3.25Å
432L92.1Very high91.1Very high26 Ų2643 Ų4314%0.13621%0.213CC..Hα-helixtrans-67.2-37174.4-70.1177.5000112.5L416 R428 E429 Y430 R435 K436L416-L432 HydrophobicContact CD1-CD2 4.15Å; L416-L432 HydrophobicContact CD1-CG 4.27Å; R428-L432 WeakPolarHBondContact O-CG 2.98Å; R428-L432 PolarHBondContact O-N 3.05Å; E429-L432 PolarHBondContact O-N 2.79Å; Y430-L432 PolarHBondContact O-N 3.09Å; L432-R435 WeakPolarHBondContact O-CB 3.42Å; L432-R435 PolarHBondContact O-N 3.22Å; L432-K436 WeakPolarHBondContact O-CG 3.14Å; L432-K436 PolarHBondContact O-N 3.35Å; L432-K436 VanDerWaalsContact O-N 3.12Å
433N93.3Very high91.6Very high2 Ų242.6 Ų42.61%0.01120%0.201CC..Hα-helixtrans-68.6-42.5175.4-70.3-23.8000111.4E429 Y430 R435 K436 T437 I725 M728 N731E429-N433 WeakPolarHBondContact O-CB 2.9Å; E429-N433 PolarHBondContact O-N 3.42Å; E429-N433 PolarHBondContact O-ND2 3.44Å; Y430-N433 PolarHBondContact O-N 3.06Å; N433-R435 VanDerWaalsContact C-N 3.33Å; N433-R435 PolarHBondContact O-N 3.12Å; N433-K436 WeakPolarHBondContact O-CB 3.03Å; N433-K436 PolarHBondContact O-N 3.33Å; N433-K436 VanDerWaalsContact O-N 3.15Å; N433-T437 PolarHBondContact O-N 3.45Å; N433-T437 PolarHBondContact O-OG1 3.14Å; N433-T437 VanDerWaalsContact O-OG1 3.12Å; N433-I725 HydrophobicContact CB-CB 4.15Å; N433-I725 WeakPolarHBondContact CB-O 3.36Å; N433-I725 PolarHBondContact ND2-O 2.85Å; N433-M728 PolarHBondContact ND2-N 3.5Å; N433-M728 WeakPolarHBondContact OD1-CA 3.35Å; N433-M728 VanDerWaalsContact OD1-CB 3.26Å; N433-M728 WeakPolarHBondContact OD1-CB 3.36Å; N433-M728 VanDerWaalsContact OD1-CG 3.3Å; N433-M728 WeakPolarHBondContact OD1-CG 3.44Å; N433-N731 PolarHBondContact O-ND2 2.94Å
434L95.3Very high92Very high2 Ų236 Ų361%0.0117%0.17CC..Hα-helixtrans-56.9-46.8172.5178.262.9000111L369 I375 F409 Y430 A431 K436 T437 I438 L485L369-L434 HydrophobicContact CD2-CD1 4.31Å; I375-L434 HydrophobicContact CD1-CD1 4.36Å; I375-L434 HydrophobicContact CD1-CD2 4.26Å; I375-L434 HydrophobicContact CG2-CD2 3.79Å; F409-L434 HydrophobicContact CE1-CD2 4.27Å; F409-L434 HydrophobicContact CZ-CD2 4.18Å; Y430-L434 WeakPolarHBondContact O-CB 3.36Å; Y430-L434 PolarHBondContact O-N 2.67Å; A431-L434 PolarHBondContact O-N 2.96Å; L434-K436 VanDerWaalsContact C-N 3.31Å; L434-K436 PolarHBondContact O-N 3.37Å; L434-T437 WeakPolarHBondContact O-CB 3.39Å; L434-T437 PolarHBondContact O-N 3.2Å; L434-T437 VanDerWaalsContact O-N 3.16Å; L434-I438 HydrophobicContact CD1-CD1 4.29Å; L434-I438 HydrophobicContact CD1-CG1 4.43Å; L434-I438 HydrophobicContact CG-CD1 4.03Å; L434-I438 WeakPolarHBondContact O-CG1 3.15Å; L434-I438 PolarHBondContact O-N 3.17Å; L434-L485 HydrophobicContact CD1-CD1 3.91Å
435R94.7Very high92.3Very high58 Ų5834.9 Ų34.922%0.21916%0.164CC..Hα-helixtrans-54.3-48174.9-177-166.160.9174.9-2.9111.6L413 N414 A431 L432 N433 I438 H439L413-R435 HydrophobicContact CB-CB 4.15Å; L413-R435 HydrophobicContact CB-CG 4.25Å; L413-R435 HydrophobicContact CD1-CB 3.97Å; N414-R435 WeakPolarHBondContact OD1-CD 3.24Å; N414-R435 PolarHBondContact OD1-NH1 3.37Å; A431-R435 PolarHBondContact O-N 3.25Å; L432-R435 WeakPolarHBondContact O-CB 3.42Å; L432-R435 PolarHBondContact O-N 3.22Å; N433-R435 VanDerWaalsContact C-N 3.33Å; N433-R435 PolarHBondContact O-N 3.12Å; R435-I438 PolarHBondContact O-N 3.32Å; R435-H439 PolarHBondContact O-N 3.31Å; R435-H439 PolarHBondContact O-ND1 3.19Å
436K94.2Very high92.4Very high81 Ų8138.9 Ų38.935%0.35219%0.191SC..Hα-helixtrans-62.5-41.9178.7-73.8-177.2173.4-159.40111.9L432 N433 L434 H439 F440L432-K436 WeakPolarHBondContact O-CG 3.14Å; L432-K436 PolarHBondContact O-N 3.35Å; L432-K436 VanDerWaalsContact O-N 3.12Å; N433-K436 WeakPolarHBondContact O-CB 3.03Å; N433-K436 PolarHBondContact O-N 3.33Å; N433-K436 VanDerWaalsContact O-N 3.15Å; L434-K436 VanDerWaalsContact C-N 3.31Å; L434-K436 PolarHBondContact O-N 3.37Å; K436-H439 PolarHBondContact O-N 2.88Å; K436-F440 WeakPolarHBondContact O-CB 3.01Å; K436-F440 PolarHBondContact O-N 3.06Å
437T96.2Very high92.5Very high0 Ų039.2 Ų39.20%019%0.191CC..Hα-helixtrans-61-43.3175.4-61.30000111.3L369 N433 L434 H439 F440 L441 L485 L723 N731L369-T437 HydrophobicContact CD2-CG2 4.26Å; N433-T437 PolarHBondContact O-N 3.45Å; N433-T437 PolarHBondContact O-OG1 3.14Å; N433-T437 VanDerWaalsContact O-OG1 3.12Å; L434-T437 WeakPolarHBondContact O-CB 3.39Å; L434-T437 PolarHBondContact O-N 3.2Å; L434-T437 VanDerWaalsContact O-N 3.16Å; T437-H439 PolarHBondContact O-N 3.36Å; T437-F440 WeakPolarHBondContact O-CB 3.39Å; T437-F440 PolarHBondContact O-N 3.26Å; T437-L441 HydrophobicContact CG2-CD1 4.17Å; T437-L441 HydrophobicContact CG2-CG 4.48Å; T437-L441 WeakPolarHBondContact O-CG 3.41Å; T437-L441 PolarHBondContact O-N 2.73Å; T437-L485 HydrophobicContact CG2-CD2 4.3Å; T437-L723 HydrophobicContact CG2-CD1 3.55Å; T437-N731 PolarHBondContact OG1-ND2 3.22Å; T437-N731 PolarHBondContact OG1-OD1 3.39Å
438I95.8Very high92.4Very high0 Ų044 Ų440%022%0.221CC..Hα-helixtrans-61.4-44175.6-65.1164.5000111L406 F409 V410 L434 R435 F440 L441 R442 L457L406-I438 HydrophobicContact CD1-CG2 4.29Å; F409-I438 HydrophobicContact CD1-CD1 4.13Å; F409-I438 HydrophobicContact CE1-CD1 3.89Å; V410-I438 HydrophobicContact CG2-CG2 4.03Å; L434-I438 HydrophobicContact CD1-CD1 4.29Å; L434-I438 HydrophobicContact CD1-CG1 4.43Å; L434-I438 HydrophobicContact CG-CD1 4.03Å; L434-I438 WeakPolarHBondContact O-CG1 3.15Å; L434-I438 PolarHBondContact O-N 3.17Å; R435-I438 PolarHBondContact O-N 3.32Å; I438-F440 VanDerWaalsContact C-N 3.33Å; I438-F440 PolarHBondContact O-N 2.83Å; I438-L441 PolarHBondContact O-N 2.96Å; I438-R442 WeakPolarHBondContact O-CG 3.47Å; I438-R442 PolarHBondContact O-N 3.47Å; I438-L457 HydrophobicContact CD1-CD2 3.98Å; I438-L457 HydrophobicContact CG1-CD1 4.48Å; I438-L457 HydrophobicContact CG1-CD2 4.39Å
439H95Very high92.2Very high93 Ų9343.6 Ų43.643%0.43123%0.227SC..Hα-helixtrans-63-43177.6-77.353.1000111.7V410 R435 K436 T437 R442 S443V410-H439 WeakPolarHBondContact CG1-CE1 3.46Å; R435-H439 PolarHBondContact O-N 3.31Å; R435-H439 PolarHBondContact O-ND1 3.19Å; K436-H439 PolarHBondContact O-N 2.88Å; T437-H439 PolarHBondContact O-N 3.36Å; H439-R442 PolarHBondContact O-N 3Å; H439-S443 WeakPolarHBondContact O-CB 3.45Å; H439-S443 PolarHBondContact O-N 3.41Å; H439-S443 PolarHBondContact O-OG 3.32Å
440F95.4Very high92.2Very high26 Ų2640.4 Ų40.411%0.11421%0.212CC..Hα-helixtrans-57-53.5175166.4-107.3000110.6K436 T437 I438 R442 S443 Q444 C735 I738K436-F440 WeakPolarHBondContact O-CB 3.01Å; K436-F440 PolarHBondContact O-N 3.06Å; T437-F440 WeakPolarHBondContact O-CB 3.39Å; T437-F440 PolarHBondContact O-N 3.26Å; I438-F440 VanDerWaalsContact C-N 3.33Å; I438-F440 PolarHBondContact O-N 2.83Å; F440-R442 PolarHBondContact O-N 3.47Å; F440-S443 WeakPolarHBondContact O-CB 3.45Å; F440-S443 PolarHBondContact O-N 2.85Å; F440-S443 VanDerWaalsContact O-N 3.12Å; F440-S443 PolarHBondContact O-OG 2.98Å; F440-Q444 HydrophobicContact CD2-CG 4.03Å; F440-Q444 HydrophobicContact CE1-CG 4.22Å; F440-Q444 HydrophobicContact CE2-CG 3.53Å; F440-Q444 HydrophobicContact CZ-CG 3.64Å; F440-Q444 WeakPolarHBondContact O-CG 3.45Å; F440-Q444 PolarHBondContact O-N 3.4Å; F440-C735 HydrophobicContact CD1-CB 3.93Å; F440-C735 VanDerWaalsContact CD1-SG 3.56Å; F440-C735 HydrophobicContact CD2-CB 3.87Å; F440-C735 HydrophobicContact CE1-CB 4.04Å; F440-C735 HydrophobicContact CE2-CB 3.98Å; F440-C735 VanDerWaalsContact CE2-O 3.23Å; F440-C735 WeakPolarHBondContact CE2-O 3.48Å; F440-C735 HydrophobicContact CG-CB 3.84Å; F440-C735 HydrophobicContact CZ-CB 4.06Å; F440-C735 WeakPolarHBondContact CZ-O 3.42Å; F440-I738 HydrophobicContact CE1-CB 4.49Å; F440-I738 HydrophobicContact CE1-CD1 4.47Å; F440-I738 HydrophobicContact CE1-CG2 4.21Å; F440-I738 HydrophobicContact CZ-CB 3.86Å; F440-I738 HydrophobicContact CZ-CG2 3.66Å
441L95.6Very high92.2Very high1 Ų140.8 Ų40.81%0.00522%0.217CC..Hα-helixtrans-61.9-40.3-178.7-64.7173.9000112.5L367 L369 T437 I438 Q444 A445 V455 V483 L744L367-L441 HydrophobicContact CD2-CB 4.02Å; L367-L441 HydrophobicContact CD2-CD2 4.03Å; L369-L441 HydrophobicContact CB-CD1 3.98Å; L369-L441 HydrophobicContact CD1-CD1 3.89Å; L369-L441 HydrophobicContact CD2-CD1 3.93Å; L369-L441 HydrophobicContact CG-CD1 4.15Å; T437-L441 HydrophobicContact CG2-CD1 4.17Å; T437-L441 HydrophobicContact CG2-CG 4.48Å; T437-L441 WeakPolarHBondContact O-CG 3.41Å; T437-L441 PolarHBondContact O-N 2.73Å; I438-L441 PolarHBondContact O-N 2.96Å; L441-Q444 PolarHBondContact O-N 2.98Å; L441-A445 WeakPolarHBondContact O-CB 3.18Å; L441-A445 PolarHBondContact O-N 3.16Å; L441-V455 HydrophobicContact CB-CG1 4.27Å; L441-V455 HydrophobicContact CB-CG2 4.45Å; L441-V483 HydrophobicContact CD2-CG2 4.33Å; L441-L744 HydrophobicContact CD2-CD1 4.44Å
442R93.9Very high92.1Very high66 Ų6641.1 Ų41.125%0.24922%0.219CC..Hα-helixtrans-65.2-38.9174.8-69.1-176.489.6-161.56112.3D403 N407 I438 H439 F440 Q444 A445 S446 V455D403-R442 IonicContact OD1-CZ 3.1Å; D403-R442 IonicContact OD1-NE 3.64Å; D403-R442 PolarHBondContact OD1-NE 3.23Å; D403-R442 IonicContact OD1-NH2 3.84Å; D403-R442 PolarHBondContact OD1-NH2 2.7Å; D403-R442 IonicContact OD2-CZ 3.84Å; D403-R442 IonicContact OD2-NE 2.85Å; D403-R442 IonicContact OD2-NH2 2.77Å; D403-R442 PolarHBondContact OD2-NH2 2.77Å; N407-R442 PolarHBondContact OD1-NH1 3.35Å; N407-R442 PolarHBondContact OD1-NH2 3.49Å; I438-R442 WeakPolarHBondContact O-CG 3.47Å; I438-R442 PolarHBondContact O-N 3.47Å; H439-R442 PolarHBondContact O-N 3Å; F440-R442 PolarHBondContact O-N 3.47Å; R442-Q444 VanDerWaalsContact C-N 3.31Å; R442-Q444 PolarHBondContact O-N 3.48Å; R442-A445 PolarHBondContact O-N 3.17Å; R442-S446 PolarHBondContact O-N 2.83Å; R442-S446 PolarHBondContact O-OG 2.9Å; R442-V455 HydrophobicContact CG-CB 4.19Å; R442-V455 HydrophobicContact CG-CG2 3.86Å
443S92.9Very high91.9Very high53 Ų5342.2 Ų42.237%0.37123%0.228SC..Hα-helixtrans-62.1-40.6174.3760000111.6H439 F440 S446H439-S443 WeakPolarHBondContact O-CB 3.45Å; H439-S443 PolarHBondContact O-N 3.41Å; H439-S443 PolarHBondContact O-OG 3.32Å; F440-S443 WeakPolarHBondContact O-CB 3.45Å; F440-S443 PolarHBondContact O-N 2.85Å; F440-S443 VanDerWaalsContact O-N 3.12Å; F440-S443 PolarHBondContact O-OG 2.98Å; S443-S446 PolarHBondContact O-N 3.46Å; S443-S446 PolarHBondContact O-OG 3.35Å
444Q91.6Very high91.7Very high7 Ų744.4 Ų44.43%0.03324%0.239CC..Hα-helixtrans-69.2-37.4176.7-63.1-64.2-54.600112.1F440 L441 R442 S446 L447 T450 S739 L744F440-Q444 HydrophobicContact CD2-CG 4.03Å; F440-Q444 HydrophobicContact CE1-CG 4.22Å; F440-Q444 HydrophobicContact CE2-CG 3.53Å; F440-Q444 HydrophobicContact CZ-CG 3.64Å; F440-Q444 WeakPolarHBondContact O-CG 3.45Å; F440-Q444 PolarHBondContact O-N 3.4Å; L441-Q444 PolarHBondContact O-N 2.98Å; R442-Q444 VanDerWaalsContact C-N 3.31Å; R442-Q444 PolarHBondContact O-N 3.48Å; Q444-S446 PolarHBondContact O-N 2.96Å; Q444-L447 WeakPolarHBondContact O-CB 3.3Å; Q444-L447 PolarHBondContact O-N 3.28Å; Q444-T450 WeakPolarHBondContact O-CG2 3.4Å; Q444-T450 PolarHBondContact O-OG1 3.42Å; Q444-S739 PolarHBondContact NE2-OG 3.45Å; Q444-S739 VanDerWaalsContact NE2-OG 3.08Å; Q444-L744 HydrophobicContact CB-CD1 3.66Å; Q444-L744 HydrophobicContact CG-CD1 3.92Å
445A89.6Confident91.7Very high12 Ų1244.3 Ų44.310%0.09924%0.239CC..Hα-helixtrans-63.9-29.4175.400000112.8L441 R442 L447 T450 F452 V455L441-A445 WeakPolarHBondContact O-CB 3.18Å; L441-A445 PolarHBondContact O-N 3.16Å; R442-A445 PolarHBondContact O-N 3.17Å; A445-L447 VanDerWaalsContact C-N 3.34Å; A445-T450 PolarHBondContact O-OG1 2.89Å; A445-F452 HydrophobicContact CB-CB 3.95Å; A445-F452 HydrophobicContact CB-CD2 4.44Å; A445-V455 HydrophobicContact CB-CG2 3.85Å
446S88.1Confident91.8Very high92 Ų9241.6 Ų41.664%0.64323%0.229SC*.THydrogen-bonded Turntrans-82.2-3.117867.90000115.4R442 S443 Q444R442-S446 PolarHBondContact O-N 2.83Å; R442-S446 PolarHBondContact O-OG 2.9Å; S443-S446 PolarHBondContact O-N 3.46Å; S443-S446 PolarHBondContact O-OG 3.35Å; Q444-S446 PolarHBondContact O-N 2.96Å
447L89Confident91.9Very high63 Ų6337.9 Ų37.933%0.3321%0.213SC..SBendtrans-76.3139.6-179.4-65.7172.5000111.8Q444 A445 S449 T450Q444-L447 WeakPolarHBondContact O-CB 3.3Å; Q444-L447 PolarHBondContact O-N 3.28Å; A445-L447 VanDerWaalsContact C-N 3.34Å; L447-S449 PolarHBondContact O-N 3.28Å; L447-S449 VanDerWaalsContact O-N 3.1Å; L447-T450 HydrophobicContact CB-CG2 4.29Å; L447-T450 PolarHBondContact O-N 3.43Å; L447-T450 PolarHBondContact O-OG1 3.28Å
448D85.4Confident91.9Very high172 Ų17238 Ų3892%0.9221%0.213SC*.THydrogen-bonded Turntrans-61.1-22.8177-63.4-35.6000113.8T450D448-T450 PolarHBondContact O-N 3.01Å
449S86.4Confident91.8Very high48 Ų4839.6 Ų39.634%0.33622%0.219SC..THydrogen-bonded Turntrans-75.6-9.6176.759.30000113.8L447 S745 T746L447-S449 PolarHBondContact O-N 3.28Å; L447-S449 VanDerWaalsContact O-N 3.1Å; S449-S745 WeakPolarHBondContact O-CA 3.34Å; S449-S745 WeakPolarHBondContact O-CB 3.36Å; S449-T746 PolarHBondContact O-N 2.72Å; S449-T746 VanDerWaalsContact O-N 3.16Å
450T88.7Confident91.7Very high10 Ų1035.1 Ų35.16%0.06120%0.199CC..  trans-112.6156.9179.5740000110.2Q444 A445 L447 D448 F452 L744Q444-T450 WeakPolarHBondContact O-CG2 3.4Å; Q444-T450 PolarHBondContact O-OG1 3.42Å; A445-T450 PolarHBondContact O-OG1 2.89Å; L447-T450 HydrophobicContact CB-CG2 4.29Å; L447-T450 PolarHBondContact O-N 3.43Å; L447-T450 PolarHBondContact O-OG1 3.28Å; D448-T450 PolarHBondContact O-N 3.01Å; T450-F452 VanDerWaalsContact CB-CD2 3.43Å; T450-F452 HydrophobicContact CG2-CD2 4.09Å; T450-F452 HydrophobicContact CG2-CE2 3.9Å; T450-F452 WeakPolarHBondContact OG1-CD2 3.34Å; T450-L744 HydrophobicContact CG2-CB 4.43Å; T450-L744 WeakPolarHBondContact CG2-O 3.29Å
451D89.6Confident91.4Very high44 Ų4434.5 Ų34.524%0.23520%0.2CC..  trans-114.127.1-178.464.2-12.3000111.7K364 N480 T746 R749K364-D451 WeakPolarHBondContact CB-O 3.46Å; D451-N480 PolarHBondContact OD1-ND2 3.07Å; D451-N480 PolarHBondContact OD2-ND2 3.49Å; D451-T746 HydrophobicContact CB-CG2 3.82Å; D451-R749 VanDerWaalsContact CG-NH1 3.32Å; D451-R749 IonicContact OD1-CZ 2.73Å; D451-R749 VanDerWaalsContact OD1-CZ 3.31Å; D451-R749 IonicContact OD1-NH1 3.45Å; D451-R749 PolarHBondContact OD1-NH1 3.23Å; D451-R749 VanDerWaalsContact OD1-NH1 3.1Å; D451-R749 IonicContact OD1-NH2 3.46Å; D451-R749 PolarHBondContact OD1-NH2 2.99Å; D451-R749 IonicContact OD2-CZ 2.73Å; D451-R749 IonicContact OD2-NH1 2.88Å; D451-R749 PolarHBondContact OD2-NH1 3.21Å; D451-R749 IonicContact OD2-NH2 3.28Å
452F91.3Very high91.2Very high8 Ų834.8 Ų34.84%0.03520%0.202CC..  trans-81.8143.2178.3-52.5-62.9000110.8K365 L367 A445 T450 N480 V481 L744K365-F452 VanDerWaalsContact O-CA 3.29Å; K365-F452 WeakPolarHBondContact O-CA 3.23Å; L367-F452 HydrophobicContact CB-CD1 3.9Å; L367-F452 HydrophobicContact CB-CE1 4.2Å; L367-F452 HydrophobicContact CB-CG 4.08Å; L367-F452 HydrophobicContact CD1-CE1 4.23Å; L367-F452 HydrophobicContact CD1-CZ 4.17Å; A445-F452 HydrophobicContact CB-CB 3.95Å; A445-F452 HydrophobicContact CB-CD2 4.44Å; T450-F452 VanDerWaalsContact CB-CD2 3.43Å; T450-F452 HydrophobicContact CG2-CD2 4.09Å; T450-F452 HydrophobicContact CG2-CE2 3.9Å; T450-F452 WeakPolarHBondContact OG1-CD2 3.34Å; F452-N480 HydrophobicContact CD1-CB 4.07Å; F452-N480 HydrophobicContact CE1-CB 3.65Å; F452-V481 HydrophobicContact CE1-CB 3.96Å; F452-V481 HydrophobicContact CE1-CG2 3.88Å; F452-V481 HydrophobicContact CZ-CB 3.95Å; F452-V481 HydrophobicContact CZ-CG2 3.67Å; F452-L744 HydrophobicContact CE2-CB 4.14Å; F452-L744 WeakPolarHBondContact CE2-O 3.21Å
453C87.6Confident91Very high48 Ų4831.8 Ų31.832%0.32419%0.19SC..  trans-91.8-48.416850.20000111.6K364 K365 K366K364-C453 HydrophobicContact CB-CB 3.93Å; K364-C453 PolarHBondContact O-SG 2.99Å; K365-C453 VanDerWaalsContact C-SG 3.58Å; K365-C453 PolarHBondContact O-N 3.09Å; K365-C453 VanDerWaalsContact O-N 3.16Å; K365-C453 PolarHBondContact O-SG 2.77Å; K366-C453 WeakPolarHBondContact CG-SG 3.4Å
454D90.5Very high90.9Very high48 Ų4831 Ų3126%0.25718%0.182SC..  trans-146.4172-171.9-62.2-55.3000111.8K366 L367 D403K366-D454 WeakPolarHBondContact CA-O 3.18Å; K366-D454 WeakPolarHBondContact CB-O 3.42Å; K366-D454 HydrophobicContact CD-CB 4.17Å; K366-D454 HydrophobicContact CG-CB 4.05Å; L367-D454 PolarHBondContact N-O 2.95Å; D403-D454 HydrophobicContact CB-CB 3.76Å
455V94.5Very high90.6Very high1 Ų132.8 Ų32.81%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-118.2126175.2-175.50000110.4L367 D403 L406 L441 R442 A445 L457L367-V455 HydrophobicContact CB-CG2 4.3Å; L367-V455 HydrophobicContact CD2-CG2 4.24Å; L367-V455 CarbonylContact O-C 3.58Å; L367-V455 VanDerWaalsContact O-CA 3.3Å; L367-V455 WeakPolarHBondContact O-CA 3.42Å; D403-V455 WeakPolarHBondContact CA-O 3.27Å; D403-V455 WeakPolarHBondContact CB-O 3.34Å; D403-V455 PolarHBondContact N-O 3.04Å; L406-V455 HydrophobicContact CD1-CB 4.38Å; L406-V455 WeakPolarHBondContact CD1-O 3.23Å; L441-V455 HydrophobicContact CB-CG1 4.27Å; L441-V455 HydrophobicContact CB-CG2 4.45Å; R442-V455 HydrophobicContact CG-CB 4.19Å; R442-V455 HydrophobicContact CG-CG2 3.86Å; A445-V455 HydrophobicContact CB-CG2 3.85Å; V455-L457 HydrophobicContact CG1-CD1 4.48Å
456D95.6Very high90.5Very high0 Ų032.5 Ų32.50%019%0.192CC..EExtended strand (participates in β ladder)trans-112.4152.4174-70.9-12.6000111K366 L367 V368 L369 K400 S402 D403 Y479K366-D456 VanDerWaalsContact CD-OD2 3.25Å; K366-D456 WeakPolarHBondContact CD-OD2 3.45Å; K366-D456 IonicContact NZ-OD1 3.62Å; K366-D456 PolarHBondContact NZ-OD1 3.27Å; K366-D456 IonicContact NZ-OD2 2.86Å; K366-D456 PolarHBondContact NZ-OD2 3.34Å; K366-D456 VanDerWaalsContact NZ-OD2 3.08Å; L367-D456 PolarHBondContact O-N 3.28Å; V368-D456 CarbonylContact C-O 3.05Å; V368-D456 WeakPolarHBondContact CA-O 3.49Å; L369-D456 PolarHBondContact N-O 2.98Å; K400-D456 WeakPolarHBondContact CE-OD2 3.32Å; K400-D456 IonicContact NZ-OD2 3.08Å; K400-D456 PolarHBondContact NZ-OD2 3.2Å; S402-D456 VanDerWaalsContact CA-OD1 3.3Å; S402-D456 WeakPolarHBondContact CA-OD1 3.37Å; D403-D456 PolarHBondContact N-OD1 3.4Å; D403-D456 VanDerWaalsContact N-OD1 3.16Å; D456-Y479 HydrophobicContact CB-CE1 3.94Å; D456-Y479 PolarHBondContact OD2-OH 2.79Å
457L97Very high90.5Very high3 Ų333.3 Ų33.32%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-108.6131.2172.2-85.158.3000108.9L369 F371 K400 L401 L406 F409 I438 V455L369-L457 HydrophobicContact CB-CD1 4.2Å; L369-L457 HydrophobicContact CB-CG 4.26Å; L369-L457 HydrophobicContact CD2-CD1 4.43Å; L369-L457 HydrophobicContact CD2-CG 4.29Å; L369-L457 WeakPolarHBondContact O-CA 3.46Å; F371-L457 HydrophobicContact CD1-CB 4.07Å; F371-L457 HydrophobicContact CD1-CG 4.5Å; F371-L457 HydrophobicContact CE1-CB 3.86Å; K400-L457 CarbonylContact C-O 3.58Å; K400-L457 VanDerWaalsContact CA-O 3.26Å; K400-L457 WeakPolarHBondContact CA-O 3.28Å; L401-L457 HydrophobicContact CB-CB 4.27Å; L401-L457 PolarHBondContact N-O 3.44Å; L401-L457 PolarHBondContact O-N 3.41Å; L406-L457 HydrophobicContact CD1-CD1 3.89Å; L406-L457 HydrophobicContact CD2-CD1 3.66Å; L406-L457 HydrophobicContact CD2-CD2 3.95Å; L406-L457 HydrophobicContact CD2-CG 4.3Å; L406-L457 HydrophobicContact CG-CD1 4.4Å; F409-L457 HydrophobicContact CE1-CD2 4.32Å; I438-L457 HydrophobicContact CD1-CD2 3.98Å; I438-L457 HydrophobicContact CG1-CD1 4.48Å; I438-L457 HydrophobicContact CG1-CD2 4.39Å; V455-L457 HydrophobicContact CG1-CD1 4.48Å
458I96.2Very high90.4Very high3 Ų332.6 Ų32.62%0.01519%0.189CC..EExtended strand (participates in β ladder)trans-129.5134.9176.8-61.6-178.2000110.5V368 L369 I370 F371 G399 K400 L463 L475 Y479V368-I458 HydrophobicContact CG2-CB 4.03Å; V368-I458 HydrophobicContact CG2-CD1 3.63Å; V368-I458 HydrophobicContact CG2-CG1 3.63Å; L369-I458 PolarHBondContact O-N 3.29Å; I370-I458 VanDerWaalsContact CA-O 3.27Å; I370-I458 WeakPolarHBondContact CA-O 3.37Å; I370-I458 HydrophobicContact CD1-CB 3.87Å; I370-I458 HydrophobicContact CD1-CG2 4.22Å; F371-I458 VanDerWaalsContact CD1-C 3.5Å; F371-I458 VanDerWaalsContact CD1-O 3.22Å; F371-I458 WeakPolarHBondContact CD1-O 3.38Å; F371-I458 WeakPolarHBondContact CE1-O 3.42Å; F371-I458 PolarHBondContact N-O 3.01Å; G399-I458 WeakPolarHBondContact O-CA 3.44Å; K400-I458 HydrophobicContact CB-CG1 4.33Å; K400-I458 HydrophobicContact CD-CG1 4.47Å; K400-I458 HydrophobicContact CG-CG1 4.07Å; I458-L463 HydrophobicContact CG2-CD1 4.1Å; I458-L463 HydrophobicContact CG2-CD2 3.94Å; I458-L463 HydrophobicContact CG2-CG 3.83Å; I458-L475 HydrophobicContact CD1-CD2 4.38Å; I458-Y479 HydrophobicContact CD1-CE2 3.85Å
459R95Very high90.6Very high33 Ų3330.7 Ų30.713%0.12517%0.174CC..EExtended strand (participates in β ladder)trans-77.1125.1172.3-171.7175.67197-3.7109.7F371 S373 G399 G461 S462F371-R459 HydrophobicContact CD2-CB 4.5Å; F371-R459 HydrophobicContact CE1-CB 4.28Å; F371-R459 HydrophobicContact CE2-CB 3.75Å; F371-R459 HydrophobicContact CE2-CG 3.99Å; F371-R459 HydrophobicContact CZ-CB 3.62Å; F371-R459 HydrophobicContact CZ-CG 4.38Å; F371-R459 WeakPolarHBondContact O-CA 3.41Å; S373-R459 PolarHBondContact OG-NH1 3.45Å; G399-R459 PolarHBondContact O-N 3Å; R459-G461 VanDerWaalsContact C-N 3.32Å; R459-G461 PolarHBondContact O-N 2.75Å; R459-S462 WeakPolarHBondContact O-CB 3.48Å; R459-S462 PolarHBondContact O-N 3.2Å; R459-S462 PolarHBondContact O-OG 2.85Å
460G91.6Very high90.8Very high0 Ų028.7 Ų28.70%016%0.16CC..Hα-helixtrans-51.9-48.1-17900000113.1F371 S462 L463 A495F371-G460 PolarHBondContact O-N 3.2Å; G460-S462 VanDerWaalsContact C-N 3.26Å; G460-S462 PolarHBondContact O-N 3.13Å; G460-L463 WeakPolarHBondContact O-CB 3.16Å; G460-L463 PolarHBondContact O-N 3.16Å; G460-L463 VanDerWaalsContact O-N 3.1Å; G460-A495 VanDerWaalsContact O-CB 3.27Å; G460-A495 WeakPolarHBondContact O-CB 3.46Å
461G89.1Confident91Very high13 Ų1328.9 Ų28.913%0.13416%0.16CC..Hα-helixtrans-65.8-24.6-178.700000113.8R459 L463 L464 D492R459-G461 VanDerWaalsContact C-N 3.32Å; R459-G461 PolarHBondContact O-N 2.75Å; G461-L463 VanDerWaalsContact C-N 3.3Å; G461-L463 PolarHBondContact O-N 3.12Å; G461-L464 WeakPolarHBondContact O-CB 3.46Å; G461-L464 PolarHBondContact O-N 3.19Å; G461-D492 VanDerWaalsContact CA-OD1 3.23Å; G461-D492 WeakPolarHBondContact CA-OD1 3.14Å; G461-D492 PolarHBondContact N-OD1 3.32Å
462S90.8Very high91.1Very high7 Ų727.5 Ų27.55%0.04915%0.152CC..Hα-helixtrans-68.4-31.1174.974.80000112.6G399 R459 G460 L464 S465G399-S462 VanDerWaalsContact CA-CB 3.43Å; G399-S462 WeakPolarHBondContact CA-OG 3.43Å; G399-S462 PolarHBondContact O-OG 3.46Å; R459-S462 WeakPolarHBondContact O-CB 3.48Å; R459-S462 PolarHBondContact O-N 3.2Å; R459-S462 PolarHBondContact O-OG 2.85Å; G460-S462 VanDerWaalsContact C-N 3.26Å; G460-S462 PolarHBondContact O-N 3.13Å; S462-L464 PolarHBondContact O-N 3.46Å; S462-S465 WeakPolarHBondContact O-CB 3.37Å; S462-S465 PolarHBondContact O-N 3.46Å; S462-S465 PolarHBondContact O-OG 3.17Å
463L91.6Very high91.1Very high2 Ų230.2 Ų30.21%0.0116%0.162CC..Hα-helixtrans-64.4-25.2176-64.1170000111.8V278 I370 I458 G460 G461 S465 L466 R471 A495 W500V278-L463 HydrophobicContact CG1-CD2 3.98Å; I370-L463 HydrophobicContact CD1-CD1 4.24Å; I458-L463 HydrophobicContact CG2-CD1 4.1Å; I458-L463 HydrophobicContact CG2-CD2 3.94Å; I458-L463 HydrophobicContact CG2-CG 3.83Å; G460-L463 WeakPolarHBondContact O-CB 3.16Å; G460-L463 PolarHBondContact O-N 3.16Å; G460-L463 VanDerWaalsContact O-N 3.1Å; G461-L463 VanDerWaalsContact C-N 3.3Å; G461-L463 PolarHBondContact O-N 3.12Å; L463-S465 PolarHBondContact O-N 3.11Å; L463-L466 HydrophobicContact CD2-CD1 4.48Å; L463-L466 WeakPolarHBondContact O-CB 3.44Å; L463-L466 PolarHBondContact O-N 3.46Å; L463-R471 HydrophobicContact CB-CG 4.46Å; L463-R471 WeakPolarHBondContact O-CD 3.41Å; L463-R471 WeakPolarHBondContact O-CG 3.44Å; L463-A495 HydrophobicContact CB-CB 4.12Å; L463-A495 HydrophobicContact CD1-CB 4.23Å; L463-W500 HydrophobicContact CD1-CH2 3.76Å; L463-W500 HydrophobicContact CD1-CZ2 3.88Å
464L88.8Confident91.3Very high37 Ų3728.3 Ų28.319%0.19415%0.149CC..THydrogen-bonded Turntrans-66.9-16.3177.8-57.7-171.6000113.9G461 S462 L466 E491 Q494 A495 P795G461-L464 WeakPolarHBondContact O-CB 3.46Å; G461-L464 PolarHBondContact O-N 3.19Å; S462-L464 PolarHBondContact O-N 3.46Å; L464-L466 PolarHBondContact O-N 2.92Å; L464-E491 WeakPolarHBondContact CD1-O 3.41Å; L464-Q494 HydrophobicContact CD1-CB 4.2Å; L464-Q494 HydrophobicContact CD2-CB 4.16Å; L464-A495 HydrophobicContact CD2-CB 3.99Å; L464-P795 HydrophobicContact CD2-CG 3.57Å
465S85.3Confident91.4Very high45 Ų4526 Ų2632%0.31514%0.137SC..THydrogen-bonded Turntrans-64.6-21.3169.667.30000112.8K275 S462 L463K275-S465 WeakPolarHBondContact CE-O 3.44Å; S462-S465 WeakPolarHBondContact O-CB 3.37Å; S462-S465 PolarHBondContact O-N 3.46Å; S462-S465 PolarHBondContact O-OG 3.17Å; L463-S465 PolarHBondContact O-N 3.11Å
466L89.1Confident91.3Very high6 Ų631.5 Ų31.53%0.03116%0.157CC..SBendtrans-98.4146.2179.4-55.5169000110K275 V278 T279 L293 L463 L464 T470 R471K275-L466 HydrophobicContact CB-CD2 3.82Å; K275-L466 HydrophobicContact CD-CD2 4.48Å; K275-L466 HydrophobicContact CG-CD2 3.85Å; V278-L466 HydrophobicContact CG1-CD1 4.09Å; T279-L466 HydrophobicContact CG2-CD1 3.63Å; T279-L466 HydrophobicContact CG2-CD2 3.78Å; T279-L466 HydrophobicContact CG2-CG 4.36Å; L293-L466 HydrophobicContact CD2-CD2 3.8Å; L463-L466 HydrophobicContact CD2-CD1 4.48Å; L463-L466 WeakPolarHBondContact O-CB 3.44Å; L463-L466 PolarHBondContact O-N 3.46Å; L464-L466 PolarHBondContact O-N 2.92Å; L466-T470 HydrophobicContact CB-CG2 4.41Å; L466-T470 HydrophobicContact CD2-CG2 4.19Å; L466-R471 HydrophobicContact CB-CG 3.59Å; L466-R471 HydrophobicContact CD1-CG 4.28Å
467E87.6Confident91.1Very high109 Ų10934.4 Ų34.451%0.50917%0.17SC..  trans-64.7151.2170.4-67.9168.2-158.800110.9E469 T470 R471E467-E469 PolarHBondContact O-N 3.46Å; E467-T470 CarbonylContact O-C 3.55Å; E467-T470 WeakPolarHBondContact O-CA 3.34Å; E467-T470 WeakPolarHBondContact O-CB 3.47Å; E467-T470 PolarHBondContact O-N 3.39Å; E467-R471 WeakPolarHBondContact O-CG 3.42Å; E467-R471 PolarHBondContact O-N 3.32Å
468A87Confident90.8Very high47 Ų4735 Ų3539%0.38817%0.173SC..Hα-helixtrans-52.2-50.5-173.300000113.2T470 R471 I472A468-T470 VanDerWaalsContact C-N 3.31Å; A468-T470 PolarHBondContact O-N 3.45Å; A468-R471 WeakPolarHBondContact O-CB 3.35Å; A468-R471 PolarHBondContact O-N 2.99Å; A468-I472 WeakPolarHBondContact O-CD1 3.38Å; A468-I472 WeakPolarHBondContact O-CG1 3.45Å; A468-I472 PolarHBondContact O-N 2.92Å; A468-I472 VanDerWaalsContact O-N 3.16Å
469E90.1Very high90.7Very high133 Ų13335.1 Ų35.162%0.62117%0.173SC*.Hα-helixtrans-62.8-37.3177.7-64.6-171.4174.300112.6E467 I472 R473E467-E469 PolarHBondContact O-N 3.46Å; E469-I472 PolarHBondContact O-N 2.8Å; E469-R473 WeakPolarHBondContact O-CG 3.5Å; E469-R473 PolarHBondContact O-N 3.14Å; E469-R473 IonicContact OE2-NH1 3.5Å
470T90.5Very high90.7Very high6 Ų634.7 Ų34.74%0.03717%0.174CC..Hα-helixtrans-65.5-41.2177.1-56.70000111.2L293 L466 E467 A468 I472 R473 V474L293-T470 HydrophobicContact CD2-CG2 3.92Å; L466-T470 HydrophobicContact CB-CG2 4.41Å; L466-T470 HydrophobicContact CD2-CG2 4.19Å; E467-T470 CarbonylContact O-C 3.55Å; E467-T470 WeakPolarHBondContact O-CA 3.34Å; E467-T470 WeakPolarHBondContact O-CB 3.47Å; E467-T470 PolarHBondContact O-N 3.39Å; A468-T470 VanDerWaalsContact C-N 3.31Å; A468-T470 PolarHBondContact O-N 3.45Å; T470-I472 VanDerWaalsContact C-N 3.33Å; T470-I472 PolarHBondContact O-N 2.98Å; T470-R473 PolarHBondContact O-N 3.48Å; T470-R473 PolarHBondContact OG1-NH2 2.76Å; T470-V474 HydrophobicContact CG2-CG2 4.37Å; T470-V474 VanDerWaalsContact O-CG2 3.24Å; T470-V474 WeakPolarHBondContact O-CG2 3.24Å; T470-V474 PolarHBondContact O-N 3.15Å
471R92.4Very high90.8Very high14 Ų1434.8 Ų34.85%0.05317%0.174CC..Hα-helixtrans-56.7-47.8173.6-63.7-179.1-48.6-170.37.9111.1L463 L466 E467 A468 V474 L475 A495L463-R471 HydrophobicContact CB-CG 4.46Å; L463-R471 WeakPolarHBondContact O-CD 3.41Å; L463-R471 WeakPolarHBondContact O-CG 3.44Å; L466-R471 HydrophobicContact CB-CG 3.59Å; L466-R471 HydrophobicContact CD1-CG 4.28Å; E467-R471 WeakPolarHBondContact O-CG 3.42Å; E467-R471 PolarHBondContact O-N 3.32Å; A468-R471 WeakPolarHBondContact O-CB 3.35Å; A468-R471 PolarHBondContact O-N 2.99Å; R471-V474 PolarHBondContact O-N 2.89Å; R471-L475 WeakPolarHBondContact O-CB 3.12Å; R471-L475 WeakPolarHBondContact O-CG 3.27Å; R471-L475 PolarHBondContact O-N 2.92Å; R471-A495 PolarHBondContact NH2-O 2.83Å
472I92Very high91.2Very high15 Ų1534.2 Ų34.28%0.07717%0.168CC..Hα-helixtrans-61.6-47.5-179.4-65155.4000110.6A468 E469 T470 L475 R476 D497 Q499A468-I472 WeakPolarHBondContact O-CD1 3.38Å; A468-I472 WeakPolarHBondContact O-CG1 3.45Å; A468-I472 PolarHBondContact O-N 2.92Å; A468-I472 VanDerWaalsContact O-N 3.16Å; E469-I472 PolarHBondContact O-N 2.8Å; T470-I472 VanDerWaalsContact C-N 3.33Å; T470-I472 PolarHBondContact O-N 2.98Å; I472-L475 PolarHBondContact O-N 3.39Å; I472-R476 HydrophobicContact CG2-CG 4.36Å; I472-R476 VanDerWaalsContact O-CB 3.31Å; I472-R476 WeakPolarHBondContact O-CB 3.33Å; I472-R476 WeakPolarHBondContact O-CG 3.44Å; I472-R476 PolarHBondContact O-N 2.87Å; I472-D497 HydrophobicContact CG1-CB 4.47Å; I472-Q499 HydrophobicContact CD1-CB 3.89Å; I472-Q499 HydrophobicContact CD1-CG 4.43Å; I472-Q499 HydrophobicContact CG1-CB 4.05Å; I472-Q499 HydrophobicContact CG2-CB 3.91Å
473R91.3Very high91.5Very high65 Ų6533.9 Ų33.925%0.24517%0.166CC..Hα-helixtrans-59.4-48.7178.4-72.5-168.3-54.6-87.91112C292 E469 T470 K477C292-R473 PolarHBondContact O-NE 3.37Å; C292-R473 VanDerWaalsContact O-NE 3.14Å; C292-R473 PolarHBondContact O-NH2 3.07Å; E469-R473 WeakPolarHBondContact O-CG 3.5Å; E469-R473 PolarHBondContact O-N 3.14Å; E469-R473 IonicContact OE2-NH1 3.5Å; T470-R473 PolarHBondContact O-N 3.48Å; T470-R473 PolarHBondContact OG1-NH2 2.76Å; R473-K477 VanDerWaalsContact O-CB 3.25Å; R473-K477 WeakPolarHBondContact O-CB 3.34Å; R473-K477 PolarHBondContact O-N 3.43Å
474V90.6Very high91.7Very high8 Ų834 Ų345%0.04817%0.167CC..Hα-helixtrans-61.3-48.7-179.9170.90000110.6T279 C292 T470 R471 K477 N478T279-V474 HydrophobicContact CG2-CB 4.36Å; T279-V474 HydrophobicContact CG2-CG1 3.96Å; T279-V474 HydrophobicContact CG2-CG2 3.58Å; C292-V474 HydrophobicContact CB-CG2 4.35Å; T470-V474 HydrophobicContact CG2-CG2 4.37Å; T470-V474 VanDerWaalsContact O-CG2 3.24Å; T470-V474 WeakPolarHBondContact O-CG2 3.24Å; T470-V474 PolarHBondContact O-N 3.15Å; R471-V474 PolarHBondContact O-N 2.89Å; V474-K477 PolarHBondContact O-N 2.6Å; V474-N478 PolarHBondContact O-N 3.44Å; V474-N478 VanDerWaalsContact O-N 3.09Å
475L93.4Very high92Very high0 Ų032.5 Ų32.50%016%0.159CC..Hα-helixtrans-66.3-43.7-176.9-70.6174.3000111.9I458 R471 I472 K477 N478 Y479 W500 P501I458-L475 HydrophobicContact CD1-CD2 4.38Å; R471-L475 WeakPolarHBondContact O-CB 3.12Å; R471-L475 WeakPolarHBondContact O-CG 3.27Å; R471-L475 PolarHBondContact O-N 2.92Å; I472-L475 PolarHBondContact O-N 3.39Å; L475-K477 VanDerWaalsContact C-N 3.27Å; L475-K477 PolarHBondContact O-N 2.91Å; L475-N478 PolarHBondContact O-N 3.32Å; L475-Y479 HydrophobicContact CB-CD2 4.46Å; L475-Y479 HydrophobicContact CD2-CD2 3.58Å; L475-Y479 HydrophobicContact CD2-CE2 3.75Å; L475-Y479 PolarHBondContact O-N 3.46Å; L475-W500 HydrophobicContact CD1-CD2 3.56Å; L475-W500 HydrophobicContact CD1-CE3 4.22Å; L475-W500 HydrophobicContact CD1-CG 3.84Å; L475-W500 HydrophobicContact CD1-CH2 4.25Å; L475-W500 HydrophobicContact CD1-CZ2 3.61Å; L475-P501 HydrophobicContact CB-CG 4.41Å
476R92.1Very high92.3Very high115 Ų11531 Ų3143%0.43415%0.148SC..Hα-helixtrans-65.7-29.4176.2-75.9-171.9172.8-142.1-9.4113.2K365 I472 Q499 P501K365-R476 PolarHBondContact NZ-O 3.38Å; I472-R476 HydrophobicContact CG2-CG 4.36Å; I472-R476 VanDerWaalsContact O-CB 3.31Å; I472-R476 WeakPolarHBondContact O-CB 3.33Å; I472-R476 WeakPolarHBondContact O-CG 3.44Å; I472-R476 PolarHBondContact O-N 2.87Å; R476-Q499 VanDerWaalsContact CZ-O 3.25Å; R476-Q499 PolarHBondContact NE-O 3.45Å; R476-Q499 PolarHBondContact NH2-O 2.91Å; R476-P501 HydrophobicContact CG-CG 4.24Å
477K90.9Very high92.2Very high61 Ų6132.9 Ų32.927%0.26516%0.16SC..Hα-helixtrans-71.5-48177.6-175.9176172.7167.90111.3E288 C292 K365 R473 V474 L475E288-K477 VanDerWaalsContact CB-NZ 3.26Å; E288-K477 WeakPolarHBondContact OE2-CE 3.13Å; E288-K477 IonicContact OE2-NZ 2.71Å; E288-K477 PolarHBondContact OE2-NZ 3.35Å; C292-K477 WeakPolarHBondContact SG-CD 3.47Å; K365-K477 VanDerWaalsContact CD-O 3.23Å; K365-K477 WeakPolarHBondContact CD-O 3.49Å; K365-K477 WeakPolarHBondContact CE-O 3.42Å; R473-K477 VanDerWaalsContact O-CB 3.25Å; R473-K477 WeakPolarHBondContact O-CB 3.34Å; R473-K477 PolarHBondContact O-N 3.43Å; V474-K477 PolarHBondContact O-N 2.6Å; L475-K477 VanDerWaalsContact C-N 3.27Å; L475-K477 PolarHBondContact O-N 2.91Å
478N91.2Very high92Very high17 Ų1728.6 Ų28.69%0.09114%0.142CC..Hα-helixtrans-96.3-23.7-167.2-64.7-12.1000113.9K365 K366 V474 L475K365-N478 WeakPolarHBondContact CB-O 3.36Å; K366-N478 PolarHBondContact N-O 3.41Å; V474-N478 PolarHBondContact O-N 3.44Å; V474-N478 VanDerWaalsContact O-N 3.09Å; L475-N478 PolarHBondContact O-N 3.32Å
479Y94.8Very high92Very high4 Ų428 Ų282%0.01613%0.133CC..EExtended strand (participates in β ladder)trans-125.4142-171.1-49.5-72.2000113.1K366 V368 K400 D456 I458 L475 P501K366-Y479 HydrophobicContact CB-CD1 3.59Å; K366-Y479 HydrophobicContact CB-CE1 3.83Å; K366-Y479 HydrophobicContact CD-CE1 4.28Å; K366-Y479 CarbonylContact O-C 3.6Å; K366-Y479 VanDerWaalsContact O-CA 3.25Å; K366-Y479 WeakPolarHBondContact O-CA 3.36Å; V368-Y479 HydrophobicContact CB-CD1 3.58Å; V368-Y479 HydrophobicContact CB-CD2 4.3Å; V368-Y479 HydrophobicContact CB-CE1 3.86Å; V368-Y479 HydrophobicContact CB-CG 3.85Å; V368-Y479 HydrophobicContact CG1-CD1 4.05Å; V368-Y479 HydrophobicContact CG1-CD2 4.12Å; V368-Y479 HydrophobicContact CG1-CG 3.78Å; V368-Y479 HydrophobicContact CG2-CD1 4.47Å; V368-Y479 HydrophobicContact CG2-CE1 4.3Å; K400-Y479 WeakPolarHBondContact CE-OH 3.27Å; K400-Y479 PolarHBondContact NZ-OH 3.18Å; K400-Y479 VanDerWaalsContact NZ-OH 3.16Å; D456-Y479 HydrophobicContact CB-CE1 3.94Å; D456-Y479 PolarHBondContact OD2-OH 2.79Å; I458-Y479 HydrophobicContact CD1-CE2 3.85Å; L475-Y479 HydrophobicContact CB-CD2 4.46Å; L475-Y479 HydrophobicContact CD2-CD2 3.58Å; L475-Y479 HydrophobicContact CD2-CE2 3.75Å; L475-Y479 PolarHBondContact O-N 3.46Å; Y479-P501 WeakPolarHBondContact O-CG 3.4Å
480N93.9Very high91.7Very high25 Ų2525 Ų2513%0.13412%0.117CC..EExtended strand (participates in β ladder)trans-93.5-31.4175.8-95.2-5.5000112.9K365 K366 D451 F452 P502 R749K365-N480 HydrophobicContact CB-CB 4.18Å; K365-N480 WeakPolarHBondContact CD-OD1 3.37Å; K366-N480 PolarHBondContact O-N 2.86Å; D451-N480 PolarHBondContact OD1-ND2 3.07Å; D451-N480 PolarHBondContact OD2-ND2 3.49Å; F452-N480 HydrophobicContact CD1-CB 4.07Å; F452-N480 HydrophobicContact CE1-CB 3.65Å; N480-P502 WeakPolarHBondContact O-CD 3.49Å; N480-R749 PolarHBondContact ND2-NH1 3.45Å
481V95.3Very high91.4Very high2 Ų230.1 Ų30.11%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-143.8140.7-179.5173.60000109L367 V368 F452 V483 P502 L744 L752L367-V481 HydrophobicContact CD1-CB 3.76Å; L367-V481 HydrophobicContact CD1-CG1 3.86Å; V368-V481 PolarHBondContact N-O 3.25Å; F452-V481 HydrophobicContact CE1-CB 3.96Å; F452-V481 HydrophobicContact CE1-CG2 3.88Å; F452-V481 HydrophobicContact CZ-CB 3.95Å; F452-V481 HydrophobicContact CZ-CG2 3.67Å; V481-V483 HydrophobicContact CG1-CG2 4.3Å; V481-P502 WeakPolarHBondContact CA-O 3.3Å; V481-P502 WeakPolarHBondContact CG1-O 3.21Å; V481-L744 HydrophobicContact CG1-CD2 3.79Å; V481-L752 HydrophobicContact CG1-CD2 4.49Å
482V96.3Very high91.1Very high0 Ų029.8 Ų29.80%014%0.139CC..EExtended strand (participates in β ladder)trans-106.7136.7173.5-176.20000108.8V368 I370 W500 P501 P502 H503 L504V368-V482 HydrophobicContact CG1-CB 4.09Å; V368-V482 HydrophobicContact CG1-CG1 4.07Å; V368-V482 HydrophobicContact CG1-CG2 3.79Å; I370-V482 HydrophobicContact CD1-CG1 4.31Å; I370-V482 HydrophobicContact CG1-CG1 3.56Å; V482-W500 HydrophobicContact CG1-CE3 4Å; V482-W500 HydrophobicContact CG1-CZ3 4.1Å; V482-W500 HydrophobicContact CG2-CE3 4.39Å; V482-P501 HydrophobicContact CG2-CB 4.26Å; V482-P501 HydrophobicContact CG2-CG 4.29Å; V482-P502 PolarHBondContact N-O 3.11Å; V482-H503 HydrophobicContact CB-CB 4.36Å; V482-H503 CarbonylContact O-C 3.6Å; V482-H503 WeakPolarHBondContact O-CA 3.29Å; V482-H503 PolarHBondContact O-CD2 2.93Å; V482-L504 PolarHBondContact O-N 3.07Å
483V96.7Very high90.7Very high1 Ų130.5 Ų30.51%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-125.8130.7173.4-174.80000108L367 V368 L369 I370 L441 V481 L504 L723L367-V483 HydrophobicContact CD1-CG2 3.89Å; V368-V483 PolarHBondContact O-N 3.19Å; L369-V483 CarbonylContact C-O 3.56Å; L369-V483 WeakPolarHBondContact CA-O 3.4Å; L369-V483 HydrophobicContact CD1-CB 4.13Å; L369-V483 HydrophobicContact CD1-CG1 4.02Å; I370-V483 PolarHBondContact N-O 3.16Å; L441-V483 HydrophobicContact CD2-CG2 4.33Å; V481-V483 HydrophobicContact CG1-CG2 4.3Å; V483-L504 WeakPolarHBondContact CA-O 3.38Å; V483-L504 HydrophobicContact CB-CB 4.47Å; V483-L504 HydrophobicContact CG1-CB 4.27Å; V483-L504 HydrophobicContact CG2-CB 4.19Å; V483-L504 HydrophobicContact CG2-CD1 4.26Å; V483-L723 HydrophobicContact CG1-CD1 3.55Å; V483-L723 HydrophobicContact CG1-CG 3.85Å
484S96.4Very high90.5Very high4 Ų427.7 Ų27.73%0.02813%0.132CC..EExtended strand (participates in β ladder)trans-109.8141.2178.2-700000112.2H503 L504 G722 L723S484-H503 PolarHBondContact OG-NE2 3.5Å; S484-L504 PolarHBondContact N-O 3.49Å; S484-G722 CarbonylContact O-C 3.58Å; S484-G722 VanDerWaalsContact O-CA 3.23Å; S484-G722 WeakPolarHBondContact O-CA 3.34Å; S484-L723 PolarHBondContact O-N 3.35Å
485L95.4Very high90.3Very high5 Ų527.4 Ų27.43%0.02613%0.13CC..EExtended strand (participates in β ladder)trans-77.5153.2165.3-60-174.2000110.9L369 I370 F371 I375 L434 T437 S488 L723 I725L369-L485 HydrophobicContact CD1-CD2 3.67Å; L369-L485 HydrophobicContact CD1-CG 3.89Å; L369-L485 HydrophobicContact CD2-CD1 4.41Å; L369-L485 HydrophobicContact CD2-CD2 4.27Å; L369-L485 HydrophobicContact CD2-CG 4.43Å; L369-L485 HydrophobicContact CG-CD2 4.32Å; L369-L485 HydrophobicContact CG-CG 4.23Å; I370-L485 PolarHBondContact O-N 3.42Å; F371-L485 HydrophobicContact CB-CD1 3.67Å; F371-L485 HydrophobicContact CB-CG 4.34Å; I375-L485 HydrophobicContact CD1-CD1 3.52Å; L434-L485 HydrophobicContact CD1-CD1 3.91Å; T437-L485 HydrophobicContact CG2-CD2 4.3Å; L485-S488 PolarHBondContact O-OG 3.31Å; L485-S488 VanDerWaalsContact O-OG 3.05Å; L485-L723 HydrophobicContact CD2-CB 3.81Å; L485-L723 HydrophobicContact CD2-CD1 4.45Å; L485-I725 HydrophobicContact CD1-CD1 4.12Å; L485-I725 HydrophobicContact CD1-CG2 4.41Å; L485-I725 HydrophobicContact CD2-CG2 3.78Å
486I91.3Very high90Very high15 Ų1527.9 Ų27.98%0.07713%0.134CC..EExtended strand (participates in β ladder)trans-140.6146173.4-164.6163.1000109.3Y647 R720 L721 L723 P724I486-Y647 HydrophobicContact CG2-CE1 3.83Å; I486-R720 HydrophobicContact CD1-CB 3.88Å; I486-L721 VanDerWaalsContact CD1-O 3.22Å; I486-L721 WeakPolarHBondContact CD1-O 3.11Å; I486-L723 PolarHBondContact N-O 3.5Å; I486-P724 HydrophobicContact CG2-CB 4.46Å; I486-P724 WeakPolarHBondContact O-CA 3.39Å
487P86.3Confident89.8Confident45 Ų4524 Ų2429%0.29212%0.122SC..SBendcis-60.1159.8-7.232-40.4000113.1Y691P487-Y691 HydrophobicContact CG-CE1 4.06Å; P487-Y691 WeakPolarHBondContact CG-OH 3.38Å
488S84.9Confident89.7Confident18 Ų1823.3 Ų23.313%0.12613%0.125CC..  trans-130.9148.7172.3-74.70000108.9L485 Q493L485-S488 PolarHBondContact O-OG 3.31Å; L485-S488 VanDerWaalsContact O-OG 3.05Å; S488-Q493 PolarHBondContact O-NE2 3.27Å
489T86Confident89.6Confident34 Ų3427.5 Ų27.521%0.20914%0.144CC..  trans-65.5155.6175.279.20000112.6D372 T374 E491 D492 Q493D372-T489 HydrophobicContact CB-CG2 4.37Å; D372-T489 WeakPolarHBondContact OD2-CG2 3.21Å; D372-T489 PolarHBondContact OD2-N 3.45Å; T374-T489 HydrophobicContact CG2-CG2 3.67Å; T489-E491 PolarHBondContact O-N 3.38Å; T489-D492 PolarHBondContact O-N 2.93Å; T489-D492 PolarHBondContact OG1-N 3.44Å; T489-D492 PolarHBondContact OG1-OD2 3.3Å; T489-Q493 WeakPolarHBondContact O-CG 3.26Å; T489-Q493 PolarHBondContact O-N 3.26Å
490Y84.6Confident89.5Confident71 Ų7127.8 Ų27.828%0.27815%0.145SC..Hα-helixtrans-53.2-39.8176.8174.7-105.6000113.5Q494 G569 W798Y490-Q494 WeakPolarHBondContact O-CG 3.46Å; Y490-Q494 PolarHBondContact O-NE2 3.12Å; Y490-G569 VanDerWaalsContact CD2-CA 3.42Å; Y490-W798 HydrophobicContact CD2-CE3 4.34Å; Y490-W798 AromaticContact CD2-CH2 3.32Å; Y490-W798 HydrophobicContact CD2-CH2 3.32Å; Y490-W798 AromaticContact CD2-CZ2 3.78Å; Y490-W798 HydrophobicContact CD2-CZ2 3.78Å; Y490-W798 AromaticContact CD2-CZ3 3.63Å; Y490-W798 HydrophobicContact CD2-CZ3 3.63Å; Y490-W798 AromaticContact CE2-CD2 3.92Å; Y490-W798 HydrophobicContact CE2-CD2 3.92Å; Y490-W798 AromaticContact CE2-CE2 3.9Å; Y490-W798 AromaticContact CE2-CE3 3.65Å; Y490-W798 HydrophobicContact CE2-CE3 3.65Å; Y490-W798 AromaticContact CE2-CH2 3.45Å; Y490-W798 HydrophobicContact CE2-CH2 3.45Å; Y490-W798 VanDerWaalsContact CE2-CH2 3.45Å; Y490-W798 AromaticContact CE2-CZ2 3.69Å; Y490-W798 HydrophobicContact CE2-CZ2 3.69Å; Y490-W798 AromaticContact CE2-CZ3 3.4Å; Y490-W798 HydrophobicContact CE2-CZ3 3.4Å; Y490-W798 VanDerWaalsContact CE2-CZ3 3.4Å
491E83.7Confident89.5Confident114 Ų11427.1 Ų27.153%0.53314%0.142SC..Hα-helixtrans-66.2-49.8179.6-64.3-178.1-179.800110.7L464 T489 Q493 Q494L464-E491 WeakPolarHBondContact CD1-O 3.41Å; T489-E491 PolarHBondContact O-N 3.38Å; E491-Q493 PolarHBondContact O-N 3.05Å; E491-Q494 PolarHBondContact O-N 2.75Å
492D85.8Confident89.4Confident6 Ų627.6 Ų27.63%0.03215%0.145CC..Hα-helixtrans-64-31.5-178.9-63.3-65.5000112D372 S373 G461 T489 Q494 A495D372-D492 WeakPolarHBondContact CA-OD2 3.46Å; D372-D492 HydrophobicContact CB-CB 4.18Å; D372-D492 WeakPolarHBondContact CB-OD2 3.38Å; S373-D492 WeakPolarHBondContact CB-OD2 3.32Å; S373-D492 PolarHBondContact N-OD2 3.06Å; S373-D492 PolarHBondContact OG-OD1 3.11Å; S373-D492 VanDerWaalsContact OG-OD1 3.11Å; S373-D492 PolarHBondContact OG-OD2 3.31Å; G461-D492 VanDerWaalsContact CA-OD1 3.23Å; G461-D492 WeakPolarHBondContact CA-OD1 3.14Å; G461-D492 PolarHBondContact N-OD1 3.32Å; T489-D492 PolarHBondContact O-N 2.93Å; T489-D492 PolarHBondContact OG1-N 3.44Å; T489-D492 PolarHBondContact OG1-OD2 3.3Å; D492-Q494 PolarHBondContact O-N 2.95Å; D492-A495 PolarHBondContact O-N 3.02Å
493Q84.7Confident89.4Confident30 Ų3027.8 Ų27.814%0.1415%0.146CC..Hα-helixtrans-63.8-23.9177.9-72.51693.800113.9S488 T489 E491 A495 S509 N512 W798S488-Q493 PolarHBondContact O-NE2 3.27Å; T489-Q493 WeakPolarHBondContact O-CG 3.26Å; T489-Q493 PolarHBondContact O-N 3.26Å; E491-Q493 PolarHBondContact O-N 3.05Å; Q493-A495 PolarHBondContact O-N 3.38Å; Q493-S509 WeakPolarHBondContact O-CB 3.43Å; Q493-N512 HydrophobicContact CB-CB 3.72Å; Q493-N512 VanDerWaalsContact CD-CB 3.42Å; Q493-N512 HydrophobicContact CG-CB 3.53Å; Q493-W798 HydrophobicContact CB-CZ2 4.38Å; Q493-W798 VanDerWaalsContact OE1-CH2 3.29Å
494Q85.6Confident89.3Confident7 Ų727.9 Ų27.93%0.03315%0.146CC..THydrogen-bonded Turntrans-72.7-9.9-179.3-56.1-52.6-42.700113.8L464 Y490 E491 D492 P795 W798L464-Q494 HydrophobicContact CD1-CB 4.2Å; L464-Q494 HydrophobicContact CD2-CB 4.16Å; Y490-Q494 WeakPolarHBondContact O-CG 3.46Å; Y490-Q494 PolarHBondContact O-NE2 3.12Å; E491-Q494 PolarHBondContact O-N 2.75Å; D492-Q494 PolarHBondContact O-N 2.95Å; Q494-P795 HydrophobicContact CB-CB 4.3Å; Q494-P795 HydrophobicContact CB-CG 3.91Å; Q494-W798 VanDerWaalsContact NE2-CZ2 3.28Å
495A86.6Confident89.2Confident1 Ų127.9 Ų27.91%0.00815%0.147CC..THydrogen-bonded Turntrans-73.8-34.3-177.300000113.1G460 L463 L464 R471 D492 Q493 W500G460-A495 VanDerWaalsContact O-CB 3.27Å; G460-A495 WeakPolarHBondContact O-CB 3.46Å; L463-A495 HydrophobicContact CB-CB 4.12Å; L463-A495 HydrophobicContact CD1-CB 4.23Å; L464-A495 HydrophobicContact CD2-CB 3.99Å; R471-A495 PolarHBondContact NH2-O 2.83Å; D492-A495 PolarHBondContact O-N 3.02Å; Q493-A495 PolarHBondContact O-N 3.38Å; A495-W500 VanDerWaalsContact C-CZ2 3.49Å; A495-W500 HydrophobicContact CB-CH2 4.08Å; A495-W500 HydrophobicContact CB-CZ2 4.24Å; A495-W500 WeakPolarHBondContact O-CZ2 3.38Å
496S87.3Confident89.1Confident11 Ų1128 Ų288%0.07715%0.148CC..  trans-59.7137.1-170.4-47.40000112.4S509S496-S509 PolarHBondContact O-N 3.06Å
497D88.7Confident89.1Confident33 Ų3327.5 Ų27.518%0.17615%0.146CC..  trans-141.2137.6-177.8-166.3-59.9000111I472 Q499 W500 P507I472-D497 HydrophobicContact CG1-CB 4.47Å; D497-Q499 PolarHBondContact O-N 3.48Å; D497-Q499 WeakPolarHBondContact OD1-CB 3.38Å; D497-Q499 PolarHBondContact OD1-N 3.21Å; D497-W500 HydrophobicContact CB-CG 4.29Å; D497-W500 VanDerWaalsContact O-CB 3.29Å; D497-W500 WeakPolarHBondContact O-CB 3.38Å; D497-W500 VanDerWaalsContact O-CG 3.3Å; D497-W500 PolarHBondContact O-N 3Å; D497-P507 CarbonylContact C-O 3.58Å
498S87.9Confident89.3Confident47 Ų4725.9 Ų25.933%0.32913%0.134SC..THydrogen-bonded Turntrans-57-21.8179.962.90000114.4P507S498-P507 WeakPolarHBondContact CA-O 3.33Å; S498-P507 PolarHBondContact N-O 3.43Å; S498-P507 VanDerWaalsContact N-O 3.15Å
499Q90.2Very high89.5Confident104 Ų10425.7 Ų25.749%0.48613%0.133SC..THydrogen-bonded Turntrans-911.5-179.1-59.5-172.6-7.300113.1I472 R476 D497I472-Q499 HydrophobicContact CD1-CB 3.89Å; I472-Q499 HydrophobicContact CD1-CG 4.43Å; I472-Q499 HydrophobicContact CG1-CB 4.05Å; I472-Q499 HydrophobicContact CG2-CB 3.91Å; R476-Q499 VanDerWaalsContact CZ-O 3.25Å; R476-Q499 PolarHBondContact NE-O 3.45Å; R476-Q499 PolarHBondContact NH2-O 2.91Å; D497-Q499 PolarHBondContact O-N 3.48Å; D497-Q499 WeakPolarHBondContact OD1-CB 3.38Å; D497-Q499 PolarHBondContact OD1-N 3.21Å
500W91.6Very high89.6Confident11 Ų1126.1 Ų26.14%0.04213%0.133CC..SBendtrans-59.8163.2173.2-75.910.1000112.3I370 L463 L475 V482 A495 D497I370-W500 HydrophobicContact CG1-CZ3 4.41Å; L463-W500 HydrophobicContact CD1-CH2 3.76Å; L463-W500 HydrophobicContact CD1-CZ2 3.88Å; L475-W500 HydrophobicContact CD1-CD2 3.56Å; L475-W500 HydrophobicContact CD1-CE3 4.22Å; L475-W500 HydrophobicContact CD1-CG 3.84Å; L475-W500 HydrophobicContact CD1-CH2 4.25Å; L475-W500 HydrophobicContact CD1-CZ2 3.61Å; V482-W500 HydrophobicContact CG1-CE3 4Å; V482-W500 HydrophobicContact CG1-CZ3 4.1Å; V482-W500 HydrophobicContact CG2-CE3 4.39Å; A495-W500 VanDerWaalsContact C-CZ2 3.49Å; A495-W500 HydrophobicContact CB-CH2 4.08Å; A495-W500 HydrophobicContact CB-CZ2 4.24Å; A495-W500 WeakPolarHBondContact O-CZ2 3.38Å; D497-W500 HydrophobicContact CB-CG 4.29Å; D497-W500 VanDerWaalsContact O-CB 3.29Å; D497-W500 WeakPolarHBondContact O-CB 3.38Å; D497-W500 VanDerWaalsContact O-CG 3.3Å; D497-W500 PolarHBondContact O-N 3Å
501P93.8Very high89.8Confident10 Ų1023 Ų237%0.06512%0.122CC..SBendtrans-54.1161.7165-21.232.7000111.2L475 R476 Y479 V482 H503L475-P501 HydrophobicContact CB-CG 4.41Å; R476-P501 HydrophobicContact CG-CG 4.24Å; Y479-P501 WeakPolarHBondContact O-CG 3.4Å; V482-P501 HydrophobicContact CG2-CB 4.26Å; V482-P501 HydrophobicContact CG2-CG 4.29Å; P501-H503 PolarHBondContact O-N 3.38Å
502P94.4Very high90Very high12 Ų1218.4 Ų18.48%0.07810%0.101CC..SBendtrans-43.2127.5178.3-29.433.8000112.1N480 V481 V482 R749 L752 E753N480-P502 WeakPolarHBondContact O-CD 3.49Å; V481-P502 WeakPolarHBondContact CA-O 3.3Å; V481-P502 WeakPolarHBondContact CG1-O 3.21Å; V482-P502 PolarHBondContact N-O 3.11Å; P502-R749 HydrophobicContact CB-CG 4.3Å; P502-R749 HydrophobicContact CG-CG 3.67Å; P502-L752 HydrophobicContact CB-CB 4.37Å; P502-L752 HydrophobicContact CB-CD2 3.64Å; P502-L752 HydrophobicContact CB-CG 3.86Å; P502-E753 HydrophobicContact CG-CB 4.08Å; P502-E753 HydrophobicContact CG-CG 4.45Å
503H94.7Very high90.1Very high5 Ų518.3 Ų18.32%0.02310%0.101CC..EExtended strand (participates in β ladder)trans-124.6114.4-161-173.6-172.5000111.9V482 S484 P501 G505 P506 N756V482-H503 HydrophobicContact CB-CB 4.36Å; V482-H503 CarbonylContact O-C 3.6Å; V482-H503 WeakPolarHBondContact O-CA 3.29Å; V482-H503 PolarHBondContact O-CD2 2.93Å; S484-H503 PolarHBondContact OG-NE2 3.5Å; P501-H503 PolarHBondContact O-N 3.38Å; H503-G505 PolarHBondContact O-N 3.48Å; H503-P506 PolarHBondContact CE1-O 3.45Å; H503-P506 PolarHBondContact ND1-O 2.94Å; H503-N756 PolarHBondContact N-OD1 2.79Å; H503-N756 PolarHBondContact O-ND2 3.02Å; H503-N756 PolarHBondContact O-OD1 2.97Å
504L95.5Very high90.4Very high2 Ų217.2 Ų17.21%0.0110%0.096CC..EExtended strand (participates in β ladder)trans-83.781.4167.8-69.4-177.2000110V482 V483 S484 S645 L743 L744 L752V482-L504 PolarHBondContact O-N 3.07Å; V483-L504 WeakPolarHBondContact CA-O 3.38Å; V483-L504 HydrophobicContact CB-CB 4.47Å; V483-L504 HydrophobicContact CG1-CB 4.27Å; V483-L504 HydrophobicContact CG2-CB 4.19Å; V483-L504 HydrophobicContact CG2-CD1 4.26Å; S484-L504 PolarHBondContact N-O 3.49Å; L504-S645 VanDerWaalsContact C-OG 3.26Å; L504-S645 WeakPolarHBondContact CB-OG 3.21Å; L504-S645 PolarHBondContact O-OG 3.22Å; L504-L743 HydrophobicContact CD1-CD2 4.27Å; L504-L743 HydrophobicContact CD2-CD2 3.49Å; L504-L743 VanDerWaalsContact CD2-CD2 3.49Å; L504-L743 HydrophobicContact CD2-CG 4.06Å; L504-L744 HydrophobicContact CD1-CD2 3.53Å; L504-L744 HydrophobicContact CD1-CG 4.27Å; L504-L752 HydrophobicContact CD2-CD1 3.54Å; L504-L752 HydrophobicContact CD2-CD2 3.97Å; L504-L752 HydrophobicContact CD2-CG 4.43Å; L504-L752 HydrophobicContact CG-CD1 4.35Å; L504-L752 HydrophobicContact CG-CD2 4.02Å
505G94.3Very high90.7Very high4 Ų416.9 Ų16.94%0.0419%0.094CC..SBendtrans162-163.7-173.600000111.7H503 P507H503-G505 PolarHBondContact O-N 3.48Å; G505-P507 VanDerWaalsContact O-CD 3.3Å; G505-P507 WeakPolarHBondContact O-CD 3.34Å
506P92.9Very high91Very high7 Ų717.1 Ų17.15%0.04510%0.095CC..  trans-73.5111.3177.329.6-33.3000110.5H503 I508 A511 N512H503-P506 PolarHBondContact CE1-O 3.45Å; H503-P506 PolarHBondContact ND1-O 2.94Å; P506-I508 VanDerWaalsContact C-N 3.28Å; P506-I508 PolarHBondContact O-N 3.23Å; P506-A511 HydrophobicContact CB-CB 3.9Å; P506-N512 VanDerWaalsContact CB-OD1 3.3Å; P506-N512 WeakPolarHBondContact CB-OD1 3.45Å; P506-N512 WeakPolarHBondContact CG-ND2 3.29Å; P506-N512 WeakPolarHBondContact CG-OD1 3.29Å
507P91.5Very high91.3Very high5 Ų516.8 Ų16.83%0.0329%0.094CC..SBendtrans-71.8-17.1-171.128.3-35.5000114.8D497 S498 G505 N756 L759 V760D497-P507 CarbonylContact C-O 3.58Å; S498-P507 WeakPolarHBondContact CA-O 3.33Å; S498-P507 PolarHBondContact N-O 3.43Å; S498-P507 VanDerWaalsContact N-O 3.15Å; G505-P507 VanDerWaalsContact O-CD 3.3Å; G505-P507 WeakPolarHBondContact O-CD 3.34Å; P507-N756 HydrophobicContact CB-CB 4.19Å; P507-L759 HydrophobicContact CG-CD2 3.98Å; P507-L759 HydrophobicContact CG-CG 4.33Å; P507-V760 HydrophobicContact CB-CG2 3.81Å; P507-V760 HydrophobicContact CG-CG2 3.68Å
508I91.3Very high91.6Very high11 Ų1115.2 Ų15.26%0.0569%0.085CC..SBendtrans-138.9158.6177.658.2175.1000109.7P506 E510 A511 V760 F763P506-I508 VanDerWaalsContact C-N 3.28Å; P506-I508 PolarHBondContact O-N 3.23Å; I508-E510 VanDerWaalsContact C-N 3.26Å; I508-E510 HydrophobicContact CD1-CB 4.12Å; I508-E510 WeakPolarHBondContact CD1-OE2 3.47Å; I508-E510 HydrophobicContact CG1-CB 4.38Å; I508-E510 PolarHBondContact O-N 2.91Å; I508-A511 HydrophobicContact CG1-CB 4.01Å; I508-A511 VanDerWaalsContact O-CB 3.3Å; I508-A511 WeakPolarHBondContact O-CB 3.45Å; I508-A511 PolarHBondContact O-N 2.99Å; I508-V760 HydrophobicContact CD1-CG1 4.32Å; I508-V760 HydrophobicContact CD1-CG2 4.39Å; I508-V760 HydrophobicContact CG1-CG2 4.36Å; I508-V760 HydrophobicContact CG2-CB 4.49Å; I508-V760 HydrophobicContact CG2-CG1 4.02Å; I508-V760 HydrophobicContact CG2-CG2 3.62Å; I508-F763 HydrophobicContact CD1-CD1 3.78Å; I508-F763 HydrophobicContact CD1-CE1 4.17Å; I508-F763 HydrophobicContact CG1-CD1 4.41Å
509S88.5Confident91.9Very high15 Ų1513 Ų1311%0.1057%0.07CC..G310 helixtrans-60.9-35.9-178.966.20000112.1Q493 S496 A511 N512 W798Q493-S509 WeakPolarHBondContact O-CB 3.43Å; S496-S509 PolarHBondContact O-N 3.06Å; S509-A511 PolarHBondContact O-N 2.76Å; S509-N512 WeakPolarHBondContact O-CB 3.49Å; S509-N512 PolarHBondContact O-N 3.13Å; S509-N512 VanDerWaalsContact O-N 3.08Å; S509-W798 PolarHBondContact O-NE1 3.23Å
510E87.8Confident92Very high42 Ų428 Ų820%0.1965%0.047CC..G310 helixtrans-64.1-24.2177.7-61.288.116200112.3I508 N512 S513 F763 I767 P799I508-E510 VanDerWaalsContact C-N 3.26Å; I508-E510 HydrophobicContact CD1-CB 4.12Å; I508-E510 WeakPolarHBondContact CD1-OE2 3.47Å; I508-E510 HydrophobicContact CG1-CB 4.38Å; I508-E510 PolarHBondContact O-N 2.91Å; E510-N512 PolarHBondContact O-N 3.19Å; E510-S513 VanDerWaalsContact O-CB 3.28Å; E510-S513 WeakPolarHBondContact O-CB 3.42Å; E510-S513 PolarHBondContact O-N 3.06Å; E510-S513 PolarHBondContact O-OG 2.96Å; E510-F763 VanDerWaalsContact C-CE1 3.45Å; E510-F763 HydrophobicContact CB-CE1 3.67Å; E510-F763 HydrophobicContact CB-CZ 4.2Å; E510-F763 WeakPolarHBondContact O-CE1 3.32Å; E510-F763 WeakPolarHBondContact O-CZ 3.44Å; E510-I767 HydrophobicContact CB-CD1 4.22Å; E510-I767 HydrophobicContact CG-CD1 4.5Å; E510-P799 HydrophobicContact CG-CG 4.5Å
511A89.2Confident92.1Very high6 Ų67.5 Ų7.55%0.055%0.045CC..G310 helixtrans-69.5-13.1178.100000112.1P506 I508 S509 F516 F763P506-A511 HydrophobicContact CB-CB 3.9Å; I508-A511 HydrophobicContact CG1-CB 4.01Å; I508-A511 VanDerWaalsContact O-CB 3.3Å; I508-A511 WeakPolarHBondContact O-CB 3.45Å; I508-A511 PolarHBondContact O-N 2.99Å; S509-A511 PolarHBondContact O-N 2.76Å; A511-F516 HydrophobicContact CB-CD2 4.05Å; A511-F516 HydrophobicContact CB-CE2 4.39Å; A511-F516 HydrophobicContact CB-CG 4.44Å; A511-F516 WeakPolarHBondContact O-CB 3.28Å; A511-F516 VanDerWaalsContact O-CD1 3.26Å; A511-F516 WeakPolarHBondContact O-CD1 3.46Å; A511-F516 WeakPolarHBondContact O-CG 3.31Å; A511-F763 HydrophobicContact CB-CE1 4.34Å
512N87.2Confident92Very high18 Ų187 Ų710%0.0964%0.042CC..G310 helixtrans-94.6-9.3170.5-65.1-55.4000113.4Q493 P506 S509 E510 W798Q493-N512 HydrophobicContact CB-CB 3.72Å; Q493-N512 VanDerWaalsContact CD-CB 3.42Å; Q493-N512 HydrophobicContact CG-CB 3.53Å; P506-N512 VanDerWaalsContact CB-OD1 3.3Å; P506-N512 WeakPolarHBondContact CB-OD1 3.45Å; P506-N512 WeakPolarHBondContact CG-ND2 3.29Å; P506-N512 WeakPolarHBondContact CG-OD1 3.29Å; S509-N512 WeakPolarHBondContact O-CB 3.49Å; S509-N512 PolarHBondContact O-N 3.13Å; S509-N512 VanDerWaalsContact O-N 3.08Å; E510-N512 PolarHBondContact O-N 3.19Å; N512-W798 HydrophobicContact CB-CZ2 4.23Å
513S88Confident91.8Very high3 Ų36.7 Ų6.72%0.0214%0.039CC..SBendtrans-81165.1-177.4790000112.6E510 W515 F516 W798E510-S513 VanDerWaalsContact O-CB 3.28Å; E510-S513 WeakPolarHBondContact O-CB 3.42Å; E510-S513 PolarHBondContact O-N 3.06Å; E510-S513 PolarHBondContact O-OG 2.96Å; S513-W515 PolarHBondContact O-N 3.05Å; S513-W515 VanDerWaalsContact OG-CB 3.29Å; S513-W515 WeakPolarHBondContact OG-CB 3.44Å; S513-W515 PolarHBondContact OG-N 3.38Å; S513-F516 WeakPolarHBondContact O-CB 3.49Å; S513-F516 PolarHBondContact O-N 2.76Å; S513-W798 VanDerWaalsContact CA-CZ3 3.44Å; S513-W798 VanDerWaalsContact CB-CZ3 3.45Å
514P91.3Very high91.7Very high7 Ų76.5 Ų6.55%0.0454%0.038CC..Hα-helixtrans-61.6-14.5172.7-18.630.6000113.7F516 G517 F518 T566 W568 L594P514-F516 VanDerWaalsContact C-N 3.26Å; P514-F516 PolarHBondContact O-N 2.99Å; P514-G517 PolarHBondContact O-N 3.2Å; P514-F518 PolarHBondContact O-N 2.86Å; P514-T566 HydrophobicContact CG-CG2 4.16Å; P514-W568 HydrophobicContact CB-CE3 3.97Å; P514-W568 HydrophobicContact CB-CH2 4.28Å; P514-W568 HydrophobicContact CB-CZ3 3.58Å; P514-W568 HydrophobicContact CG-CD2 4.16Å; P514-W568 HydrophobicContact CG-CE3 3.51Å; P514-W568 HydrophobicContact CG-CH2 4.35Å; P514-W568 HydrophobicContact CG-CZ3 3.62Å; P514-L594 HydrophobicContact CB-CB 3.57Å; P514-L594 HydrophobicContact CB-CD2 4.06Å; P514-L594 HydrophobicContact CB-CG 4.38Å
515W92.1Very high91.3Very high0 Ų06.4 Ų6.40%04%0.038CC..Hα-helixtrans-58.7-39167.5-77.1114.3000112.6S513 F518 F519 L543 W568 F763 I767 C771 P799 P801 M805S513-W515 PolarHBondContact O-N 3.05Å; S513-W515 VanDerWaalsContact OG-CB 3.29Å; S513-W515 WeakPolarHBondContact OG-CB 3.44Å; S513-W515 PolarHBondContact OG-N 3.38Å; W515-F518 PolarHBondContact O-N 2.89Å; W515-F519 VanDerWaalsContact O-CB 3.26Å; W515-F519 WeakPolarHBondContact O-CB 3.48Å; W515-F519 PolarHBondContact O-N 3.32Å; W515-L543 HydrophobicContact CD2-CD2 4.09Å; W515-L543 HydrophobicContact CE3-CD2 3.65Å; W515-L543 HydrophobicContact CH2-CD2 4.18Å; W515-L543 HydrophobicContact CZ3-CD2 3.71Å; W515-W568 AromaticContact CD1-CH2 3.37Å; W515-W568 AromaticContact CD1-CZ2 3.52Å; W515-W568 HydrophobicContact CD2-CH2 4.42Å; W515-W568 AromaticContact CG-CH2 3.96Å; W515-W568 HydrophobicContact CG-CH2 3.96Å; W515-W568 HydrophobicContact CG-CZ2 4.48Å; W515-W568 AromaticContact NE1-CH2 3.46Å; W515-W568 AromaticContact NE1-CZ2 3.6Å; W515-F763 HydrophobicContact CB-CE2 3.88Å; W515-F763 HydrophobicContact CB-CZ 3.68Å; W515-I767 HydrophobicContact CB-CD1 4.11Å; W515-I767 HydrophobicContact CB-CG1 4.26Å; W515-I767 HydrophobicContact CD2-CG1 4.07Å; W515-I767 HydrophobicContact CD2-CG2 4.46Å; W515-I767 HydrophobicContact CE3-CG1 4.19Å; W515-I767 HydrophobicContact CG-CD1 4.14Å; W515-I767 HydrophobicContact CG-CG1 4.12Å; W515-I767 HydrophobicContact CZ2-CG2 4.35Å; W515-C771 HydrophobicContact CH2-CB 3.78Å; W515-C771 HydrophobicContact CZ3-CB 3.62Å; W515-P799 PolarHBondContact NE1-O 2.86Å; W515-P801 HydrophobicContact CH2-CB 4.04Å; W515-P801 HydrophobicContact CZ2-CB 3.88Å; W515-M805 HydrophobicContact CH2-CE 3.54Å; W515-M805 HydrophobicContact CH2-SD 4.33Å; W515-M805 HydrophobicContact CZ3-CE 3.64Å; W515-M805 HydrophobicContact CZ3-SD 4.22Å
516F93.2Very high90.8Very high6 Ų66.7 Ų6.73%0.0264%0.039CC..Hα-helixtrans-66.2-44.6-176.6-172.7-108.7000111A511 S513 P514 F518 F519 I520 L719 L721 L759 F763A511-F516 HydrophobicContact CB-CD2 4.05Å; A511-F516 HydrophobicContact CB-CE2 4.39Å; A511-F516 HydrophobicContact CB-CG 4.44Å; A511-F516 WeakPolarHBondContact O-CB 3.28Å; A511-F516 VanDerWaalsContact O-CD1 3.26Å; A511-F516 WeakPolarHBondContact O-CD1 3.46Å; A511-F516 WeakPolarHBondContact O-CG 3.31Å; S513-F516 WeakPolarHBondContact O-CB 3.49Å; S513-F516 PolarHBondContact O-N 2.76Å; P514-F516 VanDerWaalsContact C-N 3.26Å; P514-F516 PolarHBondContact O-N 2.99Å; F516-F518 VanDerWaalsContact C-N 3.32Å; F516-F518 PolarHBondContact O-N 3.05Å; F516-F519 HydrophobicContact CD2-CD1 4.36Å; F516-F519 HydrophobicContact CE2-CD1 4.48Å; F516-F519 PolarHBondContact O-N 3.34Å; F516-I520 HydrophobicContact CD1-CG1 4.1Å; F516-I520 HydrophobicContact CD2-CG1 4.17Å; F516-I520 HydrophobicContact CE1-CD1 4.34Å; F516-I520 HydrophobicContact CE1-CG1 3.75Å; F516-I520 HydrophobicContact CE2-CD1 3.82Å; F516-I520 HydrophobicContact CE2-CG1 3.82Å; F516-I520 HydrophobicContact CG-CG1 4.3Å; F516-I520 HydrophobicContact CZ-CD1 3.7Å; F516-I520 HydrophobicContact CZ-CG1 3.6Å; F516-I520 WeakPolarHBondContact O-CB 3.41Å; F516-I520 VanDerWaalsContact O-CG1 3.28Å; F516-I520 WeakPolarHBondContact O-CG1 3.49Å; F516-I520 PolarHBondContact O-N 2.85Å; F516-L719 HydrophobicContact CE1-CD2 3.89Å; F516-L719 WeakPolarHBondContact CE1-O 3.36Å; F516-L719 HydrophobicContact CZ-CD2 3.89Å; F516-L721 HydrophobicContact CE1-CD1 4.29Å; F516-L721 HydrophobicContact CE1-CG 4.31Å; F516-L721 HydrophobicContact CE2-CD1 4.33Å; F516-L721 HydrophobicContact CZ-CD1 3.66Å; F516-L721 HydrophobicContact CZ-CG 4.07Å; F516-L759 HydrophobicContact CE2-CD1 4.09Å; F516-L759 HydrophobicContact CE2-CD2 4.47Å; F516-F763 HydrophobicContact CB-CE1 4.48Å; F516-F763 HydrophobicContact CB-CE2 4.49Å; F516-F763 HydrophobicContact CB-CZ 3.93Å; F516-F763 HydrophobicContact CD2-CD1 4.44Å; F516-F763 HydrophobicContact CD2-CE1 4.19Å; F516-F763 HydrophobicContact CD2-CE2 4.46Å; F516-F763 HydrophobicContact CD2-CZ 4.18Å
517G92.9Very high89.8Confident4 Ų47 Ų74%0.0414%0.041CC..Hα-helixtrans-57.2-44.7173.600000112.1P514 S521P514-G517 PolarHBondContact O-N 3.2Å; G517-S521 PolarHBondContact O-N 3.25Å; G517-S521 PolarHBondContact O-OG 2.92Å
518F94.4Very high88.6Confident0 Ų09 Ų90%05%0.05CC..Hα-helixtrans-64.8-46.5176.5-171.2-108.7000112.9P514 W515 F516 S521 C522 T541 L543 L594 F766 M805 C807 L812P514-F518 PolarHBondContact O-N 2.86Å; W515-F518 PolarHBondContact O-N 2.89Å; F516-F518 VanDerWaalsContact C-N 3.32Å; F516-F518 PolarHBondContact O-N 3.05Å; F518-S521 PolarHBondContact O-N 2.78Å; F518-C522 PolarHBondContact O-N 2.8Å; F518-C522 PolarHBondContact O-SG 3.16Å; F518-T541 HydrophobicContact CD2-CG2 3.93Å; F518-L543 HydrophobicContact CB-CB 4.37Å; F518-L543 HydrophobicContact CB-CD2 4.15Å; F518-L543 HydrophobicContact CD1-CD2 4.25Å; F518-L543 HydrophobicContact CD2-CB 3.72Å; F518-L543 HydrophobicContact CE2-CB 4.15Å; F518-L543 HydrophobicContact CG-CB 3.95Å; F518-L543 HydrophobicContact CG-CD2 4.14Å; F518-L594 HydrophobicContact CB-CD1 3.9Å; F518-L594 HydrophobicContact CD2-CD1 4.32Å; F518-F766 AromaticContact CD1-CE1 3.83Å; F518-F766 HydrophobicContact CD1-CE1 3.83Å; F518-F766 AromaticContact CD1-CZ 3.67Å; F518-F766 HydrophobicContact CD1-CZ 3.67Å; F518-F766 HydrophobicContact CE1-CE1 4.32Å; F518-F766 AromaticContact CE1-CZ 3.75Å; F518-F766 HydrophobicContact CE1-CZ 3.75Å; F518-M805 HydrophobicContact CE1-CB 3.85Å; F518-M805 HydrophobicContact CE1-SD 4.29Å; F518-M805 HydrophobicContact CE2-CB 4.22Å; F518-M805 WeakPolarHBondContact CE2-O 3.17Å; F518-M805 HydrophobicContact CZ-CB 3.48Å; F518-M805 VanDerWaalsContact CZ-CB 3.48Å; F518-C807 HydrophobicContact CE2-CB 4Å; F518-C807 HydrophobicContact CZ-CB 4.27Å; F518-L812 HydrophobicContact CE1-CD1 3.92Å; F518-L812 HydrophobicContact CZ-CD1 3.58Å
519F94.1Very high87.2Confident1 Ų112 Ų120%0.0046%0.064CC..Hα-helixtrans-59.2-50.5179.5167.1-116.9000111.7W515 F516 S521 C522 V523 I528 V638 L759 E762 F763 F766W515-F519 VanDerWaalsContact O-CB 3.26Å; W515-F519 WeakPolarHBondContact O-CB 3.48Å; W515-F519 PolarHBondContact O-N 3.32Å; F516-F519 HydrophobicContact CD2-CD1 4.36Å; F516-F519 HydrophobicContact CE2-CD1 4.48Å; F516-F519 PolarHBondContact O-N 3.34Å; F519-S521 VanDerWaalsContact C-N 3.31Å; F519-S521 PolarHBondContact O-N 3.08Å; F519-C522 CarbonylContact O-C 3.51Å; F519-C522 WeakPolarHBondContact O-CA 3.41Å; F519-C522 VanDerWaalsContact O-CB 3.32Å; F519-C522 WeakPolarHBondContact O-CB 3.46Å; F519-C522 PolarHBondContact O-N 3.05Å; F519-V523 HydrophobicContact CD1-CG2 4.47Å; F519-V523 HydrophobicContact CD2-CG2 3.9Å; F519-V523 HydrophobicContact CE1-CG2 4.13Å; F519-V523 HydrophobicContact CE2-CG2 3.54Å; F519-V523 HydrophobicContact CG-CG2 4.39Å; F519-V523 HydrophobicContact CZ-CG2 3.68Å; F519-V523 WeakPolarHBondContact O-CG2 3.48Å; F519-V523 PolarHBondContact O-N 3.17Å; F519-I528 HydrophobicContact CD2-CD1 4.01Å; F519-I528 HydrophobicContact CE2-CD1 3.87Å; F519-V638 HydrophobicContact CE1-CG1 4.5Å; F519-V638 HydrophobicContact CZ-CG1 3.86Å; F519-L759 HydrophobicContact CE1-CD1 3.95Å; F519-E762 HydrophobicContact CZ-CB 4.35Å; F519-F763 HydrophobicContact CB-CD2 3.63Å; F519-F763 HydrophobicContact CB-CE2 3.57Å; F519-F763 HydrophobicContact CD1-CB 4.15Å; F519-F763 AromaticContact CD1-CD2 3.4Å; F519-F763 HydrophobicContact CD1-CD2 3.4Å; F519-F763 VanDerWaalsContact CD1-CD2 3.4Å; F519-F763 HydrophobicContact CD1-CE2 4.03Å; F519-F763 AromaticContact CD1-CG 3.98Å; F519-F763 HydrophobicContact CD1-CG 3.98Å; F519-F763 HydrophobicContact CD2-CD2 4.01Å; F519-F763 HydrophobicContact CE1-CB 3.8Å; F519-F763 AromaticContact CE1-CD2 3.96Å; F519-F763 HydrophobicContact CE1-CD2 3.96Å; F519-F763 HydrophobicContact CE1-CG 4.15Å; F519-F763 HydrophobicContact CE2-CD2 4.47Å; F519-F763 AromaticContact CG-CD2 3.4Å; F519-F763 HydrophobicContact CG-CD2 3.4Å; F519-F763 VanDerWaalsContact CG-CD2 3.4Å; F519-F763 AromaticContact CG-CE2 3.9Å; F519-F763 HydrophobicContact CG-CE2 3.9Å; F519-F763 HydrophobicContact CG-CG 4.37Å; F519-F763 HydrophobicContact CZ-CB 4.01Å; F519-F763 HydrophobicContact CZ-CD2 4.44Å; F519-F766 HydrophobicContact CB-CD1 3.73Å; F519-F766 HydrophobicContact CB-CE1 3.69Å; F519-F766 HydrophobicContact CB-CZ 4.46Å; F519-F766 HydrophobicContact CD2-CB 3.62Å; F519-F766 AromaticContact CD2-CD1 3.47Å; F519-F766 HydrophobicContact CD2-CD1 3.47Å; F519-F766 VanDerWaalsContact CD2-CD1 3.47Å; F519-F766 AromaticContact CD2-CD2 3.93Å; F519-F766 HydrophobicContact CD2-CD2 3.93Å; F519-F766 HydrophobicContact CD2-CE1 4.03Å; F519-F766 HydrophobicContact CD2-CE2 4.43Å; F519-F766 AromaticContact CD2-CG 3.39Å; F519-F766 HydrophobicContact CD2-CG 3.39Å; F519-F766 HydrophobicContact CD2-CZ 4.46Å; F519-F766 HydrophobicContact CE2-CB 3.72Å; F519-F766 HydrophobicContact CE2-CD1 4.43Å; F519-F766 HydrophobicContact CE2-CD2 4.45Å; F519-F766 AromaticContact CE2-CG 3.98Å; F519-F766 HydrophobicContact CE2-CG 3.98Å; F519-F766 AromaticContact CG-CD1 4Å; F519-F766 HydrophobicContact CG-CD1 4Å; F519-F766 HydrophobicContact CG-CE1 4.36Å; F519-F766 HydrophobicContact CG-CG 4.35Å
520I94Very high85.6Confident0 Ų022.5 Ų22.50%010%0.101CC..Hα-helixtrans-61.8-41.1-179.9-68.3-59000110.8F516 C522 V523 A524 L635 I639 F716 L719F516-I520 HydrophobicContact CD1-CG1 4.1Å; F516-I520 HydrophobicContact CD2-CG1 4.17Å; F516-I520 HydrophobicContact CE1-CD1 4.34Å; F516-I520 HydrophobicContact CE1-CG1 3.75Å; F516-I520 HydrophobicContact CE2-CD1 3.82Å; F516-I520 HydrophobicContact CE2-CG1 3.82Å; F516-I520 HydrophobicContact CG-CG1 4.3Å; F516-I520 HydrophobicContact CZ-CD1 3.7Å; F516-I520 HydrophobicContact CZ-CG1 3.6Å; F516-I520 WeakPolarHBondContact O-CB 3.41Å; F516-I520 VanDerWaalsContact O-CG1 3.28Å; F516-I520 WeakPolarHBondContact O-CG1 3.49Å; F516-I520 PolarHBondContact O-N 2.85Å; I520-C522 VanDerWaalsContact C-N 3.29Å; I520-C522 PolarHBondContact O-N 3.39Å; I520-V523 PolarHBondContact O-N 2.95Å; I520-A524 VanDerWaalsContact O-CB 3.24Å; I520-A524 WeakPolarHBondContact O-CB 3.4Å; I520-A524 PolarHBondContact O-N 3.28Å; I520-L635 HydrophobicContact CD1-CD2 4.36Å; I520-L635 HydrophobicContact CG2-CD2 3.83Å; I520-I639 HydrophobicContact CD1-CD1 3.36Å; I520-F716 HydrophobicContact CG2-CE1 3.98Å; I520-F716 HydrophobicContact CG2-CE2 4.36Å; I520-F716 HydrophobicContact CG2-CZ 3.38Å; I520-L719 HydrophobicContact CG2-CB 3.61Å
521S92.7Very high83.8Confident0 Ų029.6 Ų29.60%013%0.132CC..Hα-helixtrans-60.7-38.8173.4-660000112.1G517 F518 F519 S525 T541G517-S521 PolarHBondContact O-N 3.25Å; G517-S521 PolarHBondContact O-OG 2.92Å; F518-S521 PolarHBondContact O-N 2.78Å; F519-S521 VanDerWaalsContact C-N 3.31Å; F519-S521 PolarHBondContact O-N 3.08Å; S521-S525 VanDerWaalsContact O-CB 3.3Å; S521-S525 WeakPolarHBondContact O-CB 3.42Å; S521-S525 PolarHBondContact O-N 3.18Å; S521-S525 VanDerWaalsContact O-N 3.08Å; S521-S525 PolarHBondContact O-OG 3.37Å; S521-T541 WeakPolarHBondContact CB-OG1 3.48Å; S521-T541 PolarHBondContact OG-OG1 2.81Å
522C91.6Very high82Confident0 Ų035.9 Ų35.90%016%0.16CC..Hα-helixtrans-65.8-41.2175.4-67.10000112.4F518 F519 I520 S525 N526 T527 I528 F766 C807F518-C522 PolarHBondContact O-N 2.8Å; F518-C522 PolarHBondContact O-SG 3.16Å; F519-C522 CarbonylContact O-C 3.51Å; F519-C522 WeakPolarHBondContact O-CA 3.41Å; F519-C522 VanDerWaalsContact O-CB 3.32Å; F519-C522 WeakPolarHBondContact O-CB 3.46Å; F519-C522 PolarHBondContact O-N 3.05Å; I520-C522 VanDerWaalsContact C-N 3.29Å; I520-C522 PolarHBondContact O-N 3.39Å; C522-S525 WeakPolarHBondContact CA-OG 3.24Å; C522-S525 PolarHBondContact O-OG 3.49Å; C522-S525 VanDerWaalsContact O-OG 3.05Å; C522-N526 PolarHBondContact O-N 2.99Å; C522-T527 VanDerWaalsContact C-OG1 3.3Å; C522-T527 VanDerWaalsContact CA-OG1 3.27Å; C522-T527 WeakPolarHBondContact CA-OG1 3.49Å; C522-T527 VanDerWaalsContact CB-OG1 3.26Å; C522-T527 WeakPolarHBondContact CB-OG1 3.46Å; C522-T527 PolarHBondContact O-N 2.6Å; C522-T527 PolarHBondContact O-OG1 2.76Å; C522-I528 HydrophobicContact CB-CD1 4.08Å; C522-I528 HydrophobicContact CB-CG1 4.11Å; C522-F766 HydrophobicContact CB-CE2 3.94Å; C522-F766 HydrophobicContact CB-CZ 4Å; C522-C807 VanDerWaalsContact SG-CB 3.59Å
523V91.3Very high80.5Confident5 Ų541 Ų413%0.0319%0.187CC..Hα-helixtrans-65.1-52175.8174.80000110.3F519 I520 S525 N526 I528 H634 L635 V638F519-V523 HydrophobicContact CD1-CG2 4.47Å; F519-V523 HydrophobicContact CD2-CG2 3.9Å; F519-V523 HydrophobicContact CE1-CG2 4.13Å; F519-V523 HydrophobicContact CE2-CG2 3.54Å; F519-V523 HydrophobicContact CG-CG2 4.39Å; F519-V523 HydrophobicContact CZ-CG2 3.68Å; F519-V523 WeakPolarHBondContact O-CG2 3.48Å; F519-V523 PolarHBondContact O-N 3.17Å; I520-V523 PolarHBondContact O-N 2.95Å; V523-S525 PolarHBondContact O-N 2.79Å; V523-N526 WeakPolarHBondContact O-CA 3.41Å; V523-N526 PolarHBondContact O-N 2.76Å; V523-I528 HydrophobicContact CG2-CD1 3.63Å; V523-H634 WeakPolarHBondContact O-CB 3.5Å; V523-L635 HydrophobicContact CB-CD2 4.3Å; V523-L635 HydrophobicContact CG1-CD2 3.96Å; V523-V638 HydrophobicContact CG1-CB 3.95Å; V523-V638 HydrophobicContact CG1-CG2 3.66Å; V523-V638 HydrophobicContact CG2-CG1 4.43Å; V523-V638 HydrophobicContact CG2-CG2 4.22Å
524A91.7Very high79.1Confident0 Ų044.1 Ų44.10%021%0.208CC..Hα-helixtrans-56.8-36.3-179.300000112.6I520 N526 S535 V538 F631 H634 L635 F716I520-A524 VanDerWaalsContact O-CB 3.24Å; I520-A524 WeakPolarHBondContact O-CB 3.4Å; I520-A524 PolarHBondContact O-N 3.28Å; A524-N526 VanDerWaalsContact C-N 3.29Å; A524-S535 PolarHBondContact O-OG 3.27Å; A524-V538 HydrophobicContact CB-CG2 3.88Å; A524-F631 HydrophobicContact CB-CB 4.07Å; A524-F631 WeakPolarHBondContact O-CA 3.4Å; A524-H634 PolarHBondContact O-ND1 2.88Å; A524-L635 HydrophobicContact CB-CD2 4.25Å; A524-L635 HydrophobicContact CB-CG 4.22Å; A524-F716 HydrophobicContact CB-CD1 3.75Å; A524-F716 HydrophobicContact CB-CD2 4.49Å; A524-F716 HydrophobicContact CB-CE1 3.82Å; A524-F716 HydrophobicContact CB-CG 4.12Å; A524-F716 HydrophobicContact CB-CZ 4.25Å
525S87.6Confident77.7Confident1 Ų143.8 Ų43.81%0.00721%0.205CC..THydrogen-bonded Turntrans-84.61178.461.30000114.2S521 C522 V523 T527 S535 C807 G810S521-S525 VanDerWaalsContact O-CB 3.3Å; S521-S525 WeakPolarHBondContact O-CB 3.42Å; S521-S525 PolarHBondContact O-N 3.18Å; S521-S525 VanDerWaalsContact O-N 3.08Å; S521-S525 PolarHBondContact O-OG 3.37Å; C522-S525 WeakPolarHBondContact CA-OG 3.24Å; C522-S525 PolarHBondContact O-OG 3.49Å; C522-S525 VanDerWaalsContact O-OG 3.05Å; V523-S525 PolarHBondContact O-N 2.79Å; S525-T527 PolarHBondContact O-N 2.7Å; S525-T527 WeakPolarHBondContact OG-CG2 3.42Å; S525-S535 WeakPolarHBondContact CA-OG 3.18Å; S525-C807 PolarHBondContact OG-SG 2.83Å; S525-G810 WeakPolarHBondContact O-CA 3.44Å
526N84Confident76.5Confident10 Ų1048.8 Ų48.85%0.05324%0.236CC..THydrogen-bonded Turntrans57.825.1-178.1-153.87.2000115.2C522 V523 A524 I528 Q529 H634C522-N526 PolarHBondContact O-N 2.99Å; V523-N526 WeakPolarHBondContact O-CA 3.41Å; V523-N526 PolarHBondContact O-N 2.76Å; A524-N526 VanDerWaalsContact C-N 3.29Å; N526-I528 VanDerWaalsContact C-N 3.27Å; N526-I528 PolarHBondContact O-N 3.27Å; N526-Q529 WeakPolarHBondContact OD1-CB 3.42Å; N526-H634 PolarHBondContact ND2-CD2 3.09Å; N526-H634 PolarHBondContact ND2-NE2 3.41Å; N526-H634 VanDerWaalsContact ND2-NE2 3.14Å
527T71.8Confident76Confident14 Ų1450.7 Ų50.79%0.08625%0.246CC..THydrogen-bonded Turntrans-66.2-31.3-17954.80000112.8C522 S525 G810 L812C522-T527 VanDerWaalsContact C-OG1 3.3Å; C522-T527 VanDerWaalsContact CA-OG1 3.27Å; C522-T527 WeakPolarHBondContact CA-OG1 3.49Å; C522-T527 VanDerWaalsContact CB-OG1 3.26Å; C522-T527 WeakPolarHBondContact CB-OG1 3.46Å; C522-T527 PolarHBondContact O-N 2.6Å; C522-T527 PolarHBondContact O-OG1 2.76Å; S525-T527 PolarHBondContact O-N 2.7Å; S525-T527 WeakPolarHBondContact OG-CG2 3.42Å; T527-G810 WeakPolarHBondContact CG2-O 3.43Å; T527-L812 HydrophobicContact CG2-CB 4.42Å
528I66.6Low75.9Confident45 Ų4550.8 Ų50.823%0.23125%0.246CC..THydrogen-bonded Turntrans-75.3-41.2-173.1-58176.4000111F519 C522 V523 N526 R530 F766F519-I528 HydrophobicContact CD2-CD1 4.01Å; F519-I528 HydrophobicContact CE2-CD1 3.87Å; C522-I528 HydrophobicContact CB-CD1 4.08Å; C522-I528 HydrophobicContact CB-CG1 4.11Å; V523-I528 HydrophobicContact CG2-CD1 3.63Å; N526-I528 VanDerWaalsContact C-N 3.27Å; N526-I528 PolarHBondContact O-N 3.27Å; I528-R530 VanDerWaalsContact C-N 3.35Å; I528-R530 PolarHBondContact O-N 3.06Å; I528-F766 HydrophobicContact CD1-CD2 3.61Å; I528-F766 HydrophobicContact CD1-CE2 3.89Å; I528-F766 HydrophobicContact CD1-CG 4.44Å; I528-F766 HydrophobicContact CG1-CD2 4.13Å; I528-F766 HydrophobicContact CG1-CE2 4.16Å
529Q61.7Low75.7Confident76 Ų7651.2 Ų51.236%0.35525%0.248SC..THydrogen-bonded Turntrans-83.6-6.9-171-54.7-173.5-6.200114N526 K531N526-Q529 WeakPolarHBondContact OD1-CB 3.42Å; Q529-K531 WeakPolarHBondContact O-CB 3.38Å; Q529-K531 WeakPolarHBondContact O-CG 3.33Å; Q529-K531 PolarHBondContact O-N 3.08Å
530R55.1Low75.6Confident235 Ų23551.7 Ų51.789%0.88725%0.251SS*.  trans48.25.3174.7-69.4-169.7-178.7179.72.8117.3I528I528-R530 VanDerWaalsContact C-N 3.35Å; I528-R530 PolarHBondContact O-N 3.06Å
531K49.5Very low75.7Confident191 Ų19151.7 Ų51.783%0.8325%0.251SS*.SBendtrans-110.9-4.6-165.3-83.3-174.8176.8179.10115.6Q529Q529-K531 WeakPolarHBondContact O-CB 3.38Å; Q529-K531 WeakPolarHBondContact O-CG 3.33Å; Q529-K531 PolarHBondContact O-N 3.08Å
532Q51.1Low75.8Confident137 Ų13751.9 Ų51.964%0.6425%0.252SS*.SBendtrans-145.9170.9-174.3-65.6-176.36.900112.7
533N56Low75.9Confident126 Ų12651.9 Ų51.967%0.67425%0.252SS*.PPolyproline II helixtrans-50125.5-177.9-72.2-18.3000111.1S535N533-S535 PolarHBondContact O-N 3.29Å
534P58.5Low76Confident69 Ų6951.8 Ų51.845%0.44825%0.252SS..PPolyproline II helixtrans-63.8129.3173.926.1-32.6000109.6V536P534-V536 PolarHBondContact O-N 3.38Å
535S60.6Low76.1Confident0 Ų052.9 Ų52.90%026%0.259CS..PPolyproline II helixtrans-74.3125.7174.255.30000109.5A524 S525 N533 D537 E630A524-S535 PolarHBondContact O-OG 3.27Å; S525-S535 WeakPolarHBondContact CA-OG 3.18Å; N533-S535 PolarHBondContact O-N 3.29Å; S535-D537 PolarHBondContact O-N 2.77Å; S535-E630 WeakPolarHBondContact CA-OE2 3.35Å; S535-E630 WeakPolarHBondContact CB-OE2 3.48Å
536V68.2Low76.2Confident105 Ų10555.7 Ų55.764%0.63628%0.278SS*.SBendtrans-79.3-10.6176.1-173.40000110.9P534 V538P534-V536 PolarHBondContact O-N 3.38Å; V536-V538 PolarHBondContact O-N 2.98Å
537D82.5Confident76.6Confident45 Ų4558.2 Ų58.224%0.24131%0.306CS..  trans-83.415.1-174.6-58.7-23.7000113.8S535 F631 Y715 F716S535-D537 PolarHBondContact O-N 2.77Å; D537-F631 HydrophobicContact CB-CD1 4.4Å; D537-Y715 CarbonylContact O-C 3.59Å; D537-Y715 VanDerWaalsContact O-CA 3.27Å; D537-Y715 WeakPolarHBondContact O-CA 3.45Å; D537-F716 PolarHBondContact O-N 3.26Å
538V89.6Confident77.6Confident7 Ų759.1 Ų59.14%0.04231%0.311CS..BIsolated β-bridgetrans-115.4122.6179.7176.80000109.6A524 V536 F631 F716A524-V538 HydrophobicContact CB-CG2 3.88Å; V536-V538 PolarHBondContact O-N 2.98Å; V538-F631 HydrophobicContact CG2-CB 4.11Å; V538-F716 HydrophobicContact CG1-CD1 4.08Å; V538-F716 HydrophobicContact CG2-CB 4.17Å; V538-F716 HydrophobicContact CG2-CD1 4.45Å
539L91.5Very high78.8Confident8 Ų867.2 Ų67.24%0.04234%0.339CS..  trans-67.2141.7-179.6-66.2-172.2000111.5T541 A597 F603 L651 Y715 F716 I717L539-T541 PolarHBondContact O-N 2.71Å; L539-T541 PolarHBondContact O-OG1 2.77Å; L539-A597 HydrophobicContact CB-CB 4.18Å; L539-A597 WeakPolarHBondContact CD1-O 3.24Å; L539-F603 HydrophobicContact CD2-CE2 4.29Å; L539-F603 HydrophobicContact CD2-CZ 3.85Å; L539-L651 HydrophobicContact CD1-CD1 3.81Å; L539-L651 HydrophobicContact CD1-CG 4.36Å; L539-Y715 HydrophobicContact CD2-CD1 4.38Å; L539-Y715 HydrophobicContact CD2-CG 4.37Å; L539-F716 PolarHBondContact N-O 3.03Å; L539-I717 HydrophobicContact CD1-CG1 4Å
540P92.1Very high80.3Confident11 Ų1164.2 Ų64.27%0.07133%0.325CS..  trans-57.3134.6-179.6-25.634.3000112.4P556 L557 A597 C807 A808P540-P556 HydrophobicContact CB-CB 4.37Å; P540-P556 HydrophobicContact CG-CB 4.31Å; P540-P556 WeakPolarHBondContact CG-O 3.34Å; P540-L557 HydrophobicContact CB-CD2 3.66Å; P540-L557 HydrophobicContact CB-CG 4.39Å; P540-A597 PolarHBondContact O-N 3.43Å; P540-A597 VanDerWaalsContact O-N 3.13Å; P540-C807 WeakPolarHBondContact CA-O 3.49Å; P540-A808 HydrophobicContact CB-CB 3.93Å; P540-A808 HydrophobicContact CG-CB 4.27Å
541T94.8Very high82Confident1 Ų157.9 Ų57.91%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-128133179.3-58.10000109.8F518 S521 L539 L594 I595 Q596 M806 C807F518-T541 HydrophobicContact CD2-CG2 3.93Å; S521-T541 WeakPolarHBondContact CB-OG1 3.48Å; S521-T541 PolarHBondContact OG-OG1 2.81Å; L539-T541 PolarHBondContact O-N 2.71Å; L539-T541 PolarHBondContact O-OG1 2.77Å; T541-L594 HydrophobicContact CG2-CD1 3.57Å; T541-L594 HydrophobicContact CG2-CG 4.46Å; T541-I595 WeakPolarHBondContact CA-O 3.37Å; T541-Q596 HydrophobicContact CG2-CG 4.02Å; T541-M806 WeakPolarHBondContact O-CA 3.34Å; T541-C807 PolarHBondContact N-O 2.92Å; T541-C807 PolarHBondContact O-N 3.31Å
542L95Very high83.9Confident4 Ų457.4 Ų57.42%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-128124.1-176.8166.769.8000109.4T544 P554 L557 I595 M805 M806 I815L542-T544 HydrophobicContact CD1-CG2 3.87Å; L542-T544 HydrophobicContact CD2-CG2 3.89Å; L542-T544 HydrophobicContact CG-CG2 3.75Å; L542-P554 HydrophobicContact CD2-CG 4.24Å; L542-L557 HydrophobicContact CB-CD1 4.2Å; L542-L557 HydrophobicContact CD2-CD1 3.91Å; L542-I595 HydrophobicContact CB-CB 4.18Å; L542-I595 HydrophobicContact CD2-CD1 3.99Å; L542-I595 HydrophobicContact CG-CD1 4.47Å; L542-I595 PolarHBondContact N-O 3.01Å; L542-I595 WeakPolarHBondContact O-CB 3.44Å; L542-I595 PolarHBondContact O-N 3.38Å; L542-M805 CarbonylContact C-O 3.6Å; L542-M805 WeakPolarHBondContact CA-O 3.45Å; L542-M805 WeakPolarHBondContact CD1-O 3.47Å; L542-M806 HydrophobicContact CB-CG 4.35Å; L542-M806 HydrophobicContact CD1-CB 3.9Å; L542-M806 HydrophobicContact CD1-CG 4.41Å; L542-I815 HydrophobicContact CD1-CD1 3.84Å
543L94.8Very high85.6Confident0 Ų052.7 Ų52.70%029%0.289CS..EExtended strand (participates in β ladder)trans-107116.2172.5178.358.1000109.1W515 F518 W568 L594 P801 N804 M805W515-L543 HydrophobicContact CD2-CD2 4.09Å; W515-L543 HydrophobicContact CE3-CD2 3.65Å; W515-L543 HydrophobicContact CH2-CD2 4.18Å; W515-L543 HydrophobicContact CZ3-CD2 3.71Å; F518-L543 HydrophobicContact CB-CB 4.37Å; F518-L543 HydrophobicContact CB-CD2 4.15Å; F518-L543 HydrophobicContact CD1-CD2 4.25Å; F518-L543 HydrophobicContact CD2-CB 3.72Å; F518-L543 HydrophobicContact CE2-CB 4.15Å; F518-L543 HydrophobicContact CG-CB 3.95Å; F518-L543 HydrophobicContact CG-CD2 4.14Å; L543-W568 HydrophobicContact CD1-CZ3 4.01Å; L543-L594 HydrophobicContact CB-CD1 4.24Å; L543-L594 HydrophobicContact CD1-CB 4.26Å; L543-L594 HydrophobicContact CD1-CD1 4.43Å; L543-P801 HydrophobicContact CD1-CG 4.36Å; L543-P801 HydrophobicContact CD2-CB 4.19Å; L543-P801 HydrophobicContact CG-CB 4.23Å; L543-P801 HydrophobicContact CG-CG 4.31Å; L543-N804 WeakPolarHBondContact O-CA 3.45Å; L543-M805 HydrophobicContact CB-CE 4.43Å; L543-M805 HydrophobicContact CD2-CE 3.68Å; L543-M805 HydrophobicContact CG-CE 4.08Å; L543-M805 PolarHBondContact N-O 3.22Å; L543-M805 PolarHBondContact O-N 2.86Å
544T93.9Very high87.1Confident3 Ų348.1 Ų48.12%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-111.5143.9-175.9460000113.2L542 I550 L588 P592 V593 I595 N804L542-T544 HydrophobicContact CD1-CG2 3.87Å; L542-T544 HydrophobicContact CD2-CG2 3.89Å; L542-T544 HydrophobicContact CG-CG2 3.75Å; T544-I550 HydrophobicContact CG2-CD1 4.23Å; T544-L588 VanDerWaalsContact OG1-CD2 3.25Å; T544-L588 WeakPolarHBondContact OG1-CD2 3.48Å; T544-P592 CarbonylContact O-C 3.52Å; T544-P592 VanDerWaalsContact O-CA 3.24Å; T544-P592 WeakPolarHBondContact O-CA 3.5Å; T544-P592 VanDerWaalsContact O-CB 3.29Å; T544-P592 WeakPolarHBondContact O-CB 3.44Å; T544-V593 PolarHBondContact N-O 2.55Å; T544-V593 PolarHBondContact O-N 3.12Å; T544-V593 PolarHBondContact OG1-O 2.92Å; T544-I595 HydrophobicContact CG2-CD1 4.48Å; T544-N804 WeakPolarHBondContact CA-OD1 3.45Å
545T92.5Very high88.4Confident23 Ų2348.8 Ų48.814%0.14127%0.273CS..  trans-81.3150.9178.965.50000112.1T548 L588 P801 K803 N804T545-T548 VanDerWaalsContact O-CB 3.26Å; T545-T548 WeakPolarHBondContact O-CB 3.47Å; T545-T548 PolarHBondContact O-N 2.85Å; T545-T548 PolarHBondContact O-OG1 3.44Å; T545-T548 PolarHBondContact OG1-OG1 3.45Å; T545-L588 WeakPolarHBondContact O-CD2 3.42Å; T545-P801 HydrophobicContact CG2-CB 4.18Å; T545-P801 HydrophobicContact CG2-CG 4.38Å; T545-P801 WeakPolarHBondContact CG2-O 3.28Å; T545-K803 VanDerWaalsContact CG2-C 3.42Å; T545-K803 WeakPolarHBondContact CG2-O 3.47Å; T545-N804 PolarHBondContact N-OD1 3.45Å; T545-N804 PolarHBondContact OG1-OD1 2.95Å
546C90.6Very high89.6Confident60 Ų6050.3 Ų50.341%0.40528%0.282SS..THydrogen-bonded Turntrans-56.5139.2172.6-174.80000111.1T548 P592C546-T548 VanDerWaalsContact C-N 3.3Å; C546-P592 HydrophobicContact CB-CG 4.26Å
547G91.8Very high90.5Very high63 Ų6345.3 Ų45.365%0.64925%0.252SS*.THydrogen-bonded Turntrans84.4-6.2-176.700000114.8L588G547-L588 PolarHBondContact N-O 3.14Å
548T92.7Very high90.7Very high32 Ų3249.6 Ų49.620%0.19627%0.265CS..  trans-70.1134.7174.4-68.20000110.6T545 C546 L588 N804T545-T548 VanDerWaalsContact O-CB 3.26Å; T545-T548 WeakPolarHBondContact O-CB 3.47Å; T545-T548 PolarHBondContact O-N 2.85Å; T545-T548 PolarHBondContact O-OG1 3.44Å; T545-T548 PolarHBondContact OG1-OG1 3.45Å; C546-T548 VanDerWaalsContact C-N 3.3Å; T548-L588 WeakPolarHBondContact O-CB 3.45Å; T548-L588 WeakPolarHBondContact O-CD1 3.31Å; T548-N804 WeakPolarHBondContact CG2-ND2 3.27Å; T548-N804 PolarHBondContact OG1-ND2 3.17Å; T548-N804 VanDerWaalsContact OG1-ND2 3.13Å; T548-N804 PolarHBondContact OG1-OD1 2.7Å
549R93.1Very high90.5Very high215 Ų21550.7 Ų50.781%0.81128%0.277SS*.  trans-109.8112.4173.5-171.6174.4-177.2165.32111.2S551 N585R549-S551 PolarHBondContact O-N 2.88Å; R549-N585 WeakPolarHBondContact CA-OD1 3.45Å
550I92.5Very high90.3Very high14 Ų1450.9 Ų50.97%0.07228%0.278CS..  trans-83.4107.4175.8-53.1176.2000108.5T544 R552 F580 L581 N585 L588 I595T544-I550 HydrophobicContact CG2-CD1 4.23Å; I550-R552 WeakPolarHBondContact CG2-O 3.34Å; I550-F580 HydrophobicContact CD1-CZ 4.34Å; I550-F580 HydrophobicContact CG2-CE1 4.28Å; I550-L581 HydrophobicContact CB-CD2 4.43Å; I550-L581 HydrophobicContact CG2-CD2 3.84Å; I550-N585 PolarHBondContact N-OD1 2.96Å; I550-N585 PolarHBondContact O-ND2 2.99Å; I550-N585 PolarHBondContact O-OD1 3.46Å; I550-L588 HydrophobicContact CD1-CD1 3.82Å; I550-L588 HydrophobicContact CG1-CD1 4.01Å; I550-I595 HydrophobicContact CD1-CD1 3.75Å
551S91.1Very high90.2Very high101 Ų10150.6 Ų50.671%0.70628%0.277SS*.  trans-88-20.4178.758.20000113.8R549R549-S551 PolarHBondContact O-N 2.88Å
552R89.8Confident90.1Very high181 Ų18154.7 Ų54.768%0.68329%0.292SS*.SBendtrans-154.4149.7-179.762.8-176-175.8176.20.4109.9I550 P554I550-R552 WeakPolarHBondContact CG2-O 3.34Å; R552-P554 WeakPolarHBondContact O-CD 3.19Å
553L86.5Confident90.1Very high39 Ų3954.5 Ų54.520%0.20429%0.291CS..  trans-61.1125.1172-81.9161000110.3L557 F563 F580L553-L557 HydrophobicContact CD2-CB 4Å; L553-F563 HydrophobicContact CD1-CZ 4.47Å; L553-F563 HydrophobicContact CD2-CE1 4.19Å; L553-F563 HydrophobicContact CD2-CE2 4.49Å; L553-F563 HydrophobicContact CD2-CZ 3.77Å; L553-F580 HydrophobicContact CD2-CD1 3.51Å; L553-F580 HydrophobicContact CD2-CE1 3.35Å; L553-F580 HydrophobicContact CD2-CE2 4.43Å; L553-F580 HydrophobicContact CD2-CG 4.15Å; L553-F580 HydrophobicContact CD2-CZ 3.84Å; L553-F580 HydrophobicContact CG-CD1 3.93Å; L553-F580 HydrophobicContact CG-CE1 4.02Å
554P85.8Confident90.1Very high29 Ų2954.7 Ų54.719%0.18829%0.291CS..  trans-51.8149.2169.8-2735.6000111.3L542 R552 P556 L557 R558 M806L542-P554 HydrophobicContact CD2-CG 4.24Å; R552-P554 WeakPolarHBondContact O-CD 3.19Å; P554-P556 VanDerWaalsContact C-CD 3.43Å; P554-P556 VanDerWaalsContact C-N 3.34Å; P554-L557 HydrophobicContact CB-CD1 4.4Å; P554-L557 HydrophobicContact CG-CD1 4.12Å; P554-L557 PolarHBondContact O-N 2.99Å; P554-R558 PolarHBondContact O-N 2.95Å; P554-M806 HydrophobicContact CB-SD 3.98Å
555S87.1Confident90.2Very high84 Ų8454.5 Ų54.559%0.58729%0.291SS*.G310 helixtrans-54.8-38.7-173.450.80000114.9L557 R558S555-L557 VanDerWaalsContact C-N 3.25Å; S555-L557 PolarHBondContact O-N 2.74Å; S555-R558 WeakPolarHBondContact O-CB 3.23Å; S555-R558 PolarHBondContact O-N 3.29Å
556P86.4Confident90.2Very high32 Ų3254.1 Ų54.121%0.20829%0.288CS..G310 helixtrans-72.1-17.8179.1-1835000114P540 P554 M806 A808P540-P556 HydrophobicContact CB-CB 4.37Å; P540-P556 HydrophobicContact CG-CB 4.31Å; P540-P556 WeakPolarHBondContact CG-O 3.34Å; P554-P556 VanDerWaalsContact C-CD 3.43Å; P554-P556 VanDerWaalsContact C-N 3.34Å; P556-M806 HydrophobicContact CB-SD 4.47Å; P556-M806 HydrophobicContact CG-CE 3.61Å; P556-M806 HydrophobicContact CG-SD 3.94Å; P556-A808 HydrophobicContact CB-CB 3.54Å; P556-A808 HydrophobicContact CG-CB 3.89Å
557L87Confident90.3Very high0 Ų051.4 Ų51.40%027%0.27CS..G310 helixtrans-944.1178.5-66169.9000112.2P540 L542 L553 P554 S555 F563 A597P540-L557 HydrophobicContact CB-CD2 3.66Å; P540-L557 HydrophobicContact CB-CG 4.39Å; L542-L557 HydrophobicContact CB-CD1 4.2Å; L542-L557 HydrophobicContact CD2-CD1 3.91Å; L553-L557 HydrophobicContact CD2-CB 4Å; P554-L557 HydrophobicContact CB-CD1 4.4Å; P554-L557 HydrophobicContact CG-CD1 4.12Å; P554-L557 PolarHBondContact O-N 2.99Å; S555-L557 VanDerWaalsContact C-N 3.25Å; S555-L557 PolarHBondContact O-N 2.74Å; L557-F563 HydrophobicContact CB-CE1 4.21Å; L557-F563 HydrophobicContact CD2-CE1 3.99Å; L557-A597 HydrophobicContact CD2-CB 4.26Å
558R85.6Confident90Very high135 Ų13549.6 Ų49.651%0.50924%0.243SC..THydrogen-bonded Turntrans-75.6144.3172.7-65.2-179.5-174.7171.50.6109P554 S555 I560P554-R558 PolarHBondContact O-N 2.95Å; S555-R558 WeakPolarHBondContact O-CB 3.23Å; S555-R558 PolarHBondContact O-N 3.29Å; R558-I560 PolarHBondContact O-N 2.8Å
559G85.6Confident89.5Confident29 Ų2949.4 Ų49.430%0.29925%0.248SC..THydrogen-bonded Turntrans87.2-18.6-175.900000114.2S600 Y601G559-S600 PolarHBondContact O-OG 3Å; G559-Y601 WeakPolarHBondContact O-CB 3.49Å; G559-Y601 VanDerWaalsContact O-CD2 3.28Å; G559-Y601 WeakPolarHBondContact O-CD2 3.47Å; G559-Y601 PolarHBondContact O-N 2.78Å
560I88.3Confident89Confident13 Ų1345 Ų457%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-66.9132174.6-56.6-54.1000110.3R558 R562 F563 S577 A597 E599R558-I560 PolarHBondContact O-N 2.8Å; I560-R562 WeakPolarHBondContact CG2-O 3.36Å; I560-F563 HydrophobicContact CB-CE1 3.76Å; I560-F563 HydrophobicContact CB-CE2 4.31Å; I560-F563 HydrophobicContact CB-CZ 3.55Å; I560-F563 HydrophobicContact CG1-CE1 4.36Å; I560-F563 HydrophobicContact CG2-CD1 3.86Å; I560-F563 HydrophobicContact CG2-CD2 4.36Å; I560-F563 HydrophobicContact CG2-CE1 3.39Å; I560-F563 HydrophobicContact CG2-CE2 3.93Å; I560-F563 HydrophobicContact CG2-CG 4.33Å; I560-F563 HydrophobicContact CG2-CZ 3.44Å; I560-F563 VanDerWaalsContact CG2-CZ 3.44Å; I560-S577 WeakPolarHBondContact O-CB 3.43Å; I560-A597 HydrophobicContact CB-CB 4.43Å; I560-A597 HydrophobicContact CD1-CB 3.81Å; I560-A597 HydrophobicContact CG1-CB 3.83Å; I560-A597 HydrophobicContact CG2-CB 3.71Å; I560-E599 WeakPolarHBondContact CG2-O 3.48Å
561S89.4Confident88.6Confident5 Ų549.8 Ų49.84%0.03526%0.262CS..EExtended strand (participates in β ladder)trans-90.2-38.3-179.163.70000112.5S577 E599 Y601S561-S577 WeakPolarHBondContact O-CB 3.38Å; S561-S577 PolarHBondContact O-N 3.31Å; S561-E599 PolarHBondContact N-O 2.96Å; S561-E599 VanDerWaalsContact OG-C 3.26Å; S561-E599 VanDerWaalsContact OG-CB 3.25Å; S561-E599 WeakPolarHBondContact OG-CB 3.43Å; S561-E599 VanDerWaalsContact OG-CG 3.25Å; S561-E599 WeakPolarHBondContact OG-CG 3.26Å; S561-E599 PolarHBondContact OG-O 3.2Å; S561-Y601 VanDerWaalsContact CA-CE2 3.4Å
562R92.8Very high88.5Confident86 Ų8645.6 Ų45.633%0.32523%0.233SC..EExtended strand (participates in β ladder)trans-136.4151.5-179.7-63.8-166172.7127.8-4.4113.2I560 V575 D576 I598 E599I560-R562 WeakPolarHBondContact CG2-O 3.36Å; R562-V575 WeakPolarHBondContact CA-O 3.2Å; R562-D576 WeakPolarHBondContact CD-OD1 3.2Å; R562-D576 WeakPolarHBondContact CG-OD1 3.36Å; R562-D576 IonicContact CZ-OD1 3.31Å; R562-D576 IonicContact NE-OD1 2.66Å; R562-D576 PolarHBondContact NE-OD1 2.72Å; R562-D576 IonicContact NH2-OD1 3.75Å; R562-I598 VanDerWaalsContact C-CG1 3.46Å; R562-I598 HydrophobicContact CB-CD1 3.8Å; R562-I598 HydrophobicContact CB-CG1 3.64Å; R562-I598 VanDerWaalsContact O-CG1 3.23Å; R562-I598 WeakPolarHBondContact O-CG1 3.33Å; R562-I598 PolarHBondContact O-N 2.93Å; R562-I598 VanDerWaalsContact O-N 3.09Å; R562-E599 HydrophobicContact CB-CB 4.11Å; R562-E599 WeakPolarHBondContact CD-OE2 3.49Å; R562-E599 IonicContact CZ-OE2 3.97Å; R562-E599 PolarHBondContact N-O 2.94Å; R562-E599 IonicContact NE-OE2 3.47Å; R562-E599 IonicContact NH1-OE2 3.86Å; R562-E599 PolarHBondContact NH1-OE2 2.85Å
563F94.6Very high88.6Confident0 Ų039.5 Ų39.50%022%0.216CC..EExtended strand (participates in β ladder)trans-130.3145-177.9-56.1-91.3000111.4L553 L557 I560 L565 V574 V575 F580 I595 Q596L553-F563 HydrophobicContact CD1-CZ 4.47Å; L553-F563 HydrophobicContact CD2-CE1 4.19Å; L553-F563 HydrophobicContact CD2-CE2 4.49Å; L553-F563 HydrophobicContact CD2-CZ 3.77Å; L557-F563 HydrophobicContact CB-CE1 4.21Å; L557-F563 HydrophobicContact CD2-CE1 3.99Å; I560-F563 HydrophobicContact CB-CE1 3.76Å; I560-F563 HydrophobicContact CB-CE2 4.31Å; I560-F563 HydrophobicContact CB-CZ 3.55Å; I560-F563 HydrophobicContact CG1-CE1 4.36Å; I560-F563 HydrophobicContact CG2-CD1 3.86Å; I560-F563 HydrophobicContact CG2-CD2 4.36Å; I560-F563 HydrophobicContact CG2-CE1 3.39Å; I560-F563 HydrophobicContact CG2-CE2 3.93Å; I560-F563 HydrophobicContact CG2-CG 4.33Å; I560-F563 HydrophobicContact CG2-CZ 3.44Å; I560-F563 VanDerWaalsContact CG2-CZ 3.44Å; F563-L565 HydrophobicContact CB-CD2 4.27Å; F563-V574 WeakPolarHBondContact O-CA 3.46Å; F563-V575 PolarHBondContact N-O 3.49Å; F563-V575 PolarHBondContact O-N 3.2Å; F563-F580 HydrophobicContact CB-CD2 4.18Å; F563-F580 HydrophobicContact CB-CE2 4.5Å; F563-F580 HydrophobicContact CD1-CD2 4.22Å; F563-F580 HydrophobicContact CD1-CE2 4.17Å; F563-F580 HydrophobicContact CD2-CB 4.23Å; F563-F580 AromaticContact CD2-CD2 3.64Å; F563-F580 HydrophobicContact CD2-CD2 3.64Å; F563-F580 HydrophobicContact CD2-CE2 4.39Å; F563-F580 HydrophobicContact CD2-CG 4.18Å; F563-F580 HydrophobicContact CE2-CB 4.29Å; F563-F580 HydrophobicContact CE2-CD2 4.04Å; F563-F580 HydrophobicContact CE2-CG 4.22Å; F563-F580 AromaticContact CG-CD2 3.74Å; F563-F580 HydrophobicContact CG-CD2 3.74Å; F563-F580 HydrophobicContact CG-CE2 4.09Å; F563-F580 HydrophobicContact CZ-CD2 4.46Å; F563-I595 HydrophobicContact CD1-CG2 4.08Å; F563-Q596 CarbonylContact C-O 3.58Å; F563-Q596 VanDerWaalsContact CA-O 3.29Å; F563-Q596 WeakPolarHBondContact CA-O 3.35Å
564W94.9Very high88.9Confident4 Ų440 Ų402%0.01522%0.221CC..EExtended strand (participates in β ladder)trans-90.9125.9157.4-80.4-28.5000109.9V574 I595 Q596 I598 I649 E690 I717 T718W564-V574 VanDerWaalsContact CD1-CG2 3.46Å; W564-V574 VanDerWaalsContact NE1-CG2 3.27Å; W564-I595 WeakPolarHBondContact O-CA 3.21Å; W564-Q596 HydrophobicContact CB-CB 4.33Å; W564-Q596 PolarHBondContact N-O 3.12Å; W564-Q596 PolarHBondContact O-N 3.07Å; W564-I598 HydrophobicContact CB-CG2 4.08Å; W564-I598 HydrophobicContact CD2-CG2 3.4Å; W564-I598 VanDerWaalsContact CD2-CG2 3.4Å; W564-I598 HydrophobicContact CE3-CG2 3.5Å; W564-I598 VanDerWaalsContact CE3-CG2 3.5Å; W564-I598 HydrophobicContact CG-CD1 4.33Å; W564-I598 HydrophobicContact CG-CG2 3.66Å; W564-I598 HydrophobicContact CZ2-CG2 4.47Å; W564-I598 HydrophobicContact CZ3-CG2 4.1Å; W564-I649 HydrophobicContact CH2-CD1 3.64Å; W564-I649 HydrophobicContact CH2-CG2 4.03Å; W564-I649 HydrophobicContact CZ3-CD1 3.93Å; W564-E690 HydrophobicContact CZ2-CG 4.39Å; W564-I717 HydrophobicContact CE3-CG2 3.97Å; W564-I717 HydrophobicContact CZ3-CG2 3.61Å; W564-T718 HydrophobicContact CZ3-CG2 4.07Å
565L95.6Very high89.3Confident0 Ų039.1 Ų39.10%022%0.215CC..EExtended strand (participates in β ladder)trans-109.6115.1171.2-52.4-175.6000108.6F563 A572 V573 V575 F580 T583 A584 M587 V593 L594 I595F563-L565 HydrophobicContact CB-CD2 4.27Å; L565-A572 WeakPolarHBondContact O-CA 3.38Å; L565-V573 PolarHBondContact N-O 3.35Å; L565-V573 PolarHBondContact O-N 3.18Å; L565-V575 HydrophobicContact CD1-CB 4.19Å; L565-V575 HydrophobicContact CD1-CG2 3.64Å; L565-V575 HydrophobicContact CG-CB 4.45Å; L565-V575 HydrophobicContact CG-CG2 4.02Å; L565-F580 HydrophobicContact CD2-CD2 4.21Å; L565-F580 HydrophobicContact CD2-CE2 3.87Å; L565-T583 HydrophobicContact CD1-CG2 3.93Å; L565-A584 HydrophobicContact CD1-CB 4.03Å; L565-A584 HydrophobicContact CD2-CB 4.47Å; L565-M587 HydrophobicContact CB-CE 4.42Å; L565-M587 HydrophobicContact CB-SD 3.76Å; L565-M587 HydrophobicContact CD1-SD 4.14Å; L565-V593 HydrophobicContact CB-CG1 4.18Å; L565-L594 WeakPolarHBondContact CA-O 3.22Å; L565-I595 HydrophobicContact CD2-CB 4.18Å; L565-I595 HydrophobicContact CD2-CD1 4.34Å; L565-I595 HydrophobicContact CD2-CG1 3.76Å; L565-I595 HydrophobicContact CD2-CG2 3.89Å
566T93.8Very high89.6Confident14 Ų1438.2 Ų38.29%0.08620%0.203CC..EExtended strand (participates in β ladder)trans-114.8100.8176.7-490000108.8P514 A572 V593 L594P514-T566 HydrophobicContact CG-CG2 4.16Å; T566-A572 WeakPolarHBondContact OG1-CB 3.24Å; T566-V593 WeakPolarHBondContact O-CA 3.06Å; T566-L594 PolarHBondContact N-O 3.22Å; T566-L594 PolarHBondContact O-N 2.61Å
567A91.3Very high89.7Confident3 Ų338.1 Ų38.13%0.02520%0.204CC..EExtended strand (participates in β ladder)trans-72.8153.8171.400000110.6G569 H570 M587 S591 V593A567-G569 PolarHBondContact O-N 3.03Å; A567-H570 HydrophobicContact CB-CB 4.11Å; A567-H570 PolarHBondContact O-N 3.23Å; A567-H570 VanDerWaalsContact O-N 3.13Å; A567-M587 HydrophobicContact CB-SD 4.36Å; A567-S591 WeakPolarHBondContact CB-OG 3.41Å; A567-V593 HydrophobicContact CB-CG2 4.37Å
568W85.9Confident89.9Confident25 Ų2543.4 Ų43.410%0.09524%0.236CC..THydrogen-bonded Turntrans-60.9121.5180-133.6-105.5000111.1P514 W515 L543 H570 P592 W798 P799 L800P514-W568 HydrophobicContact CB-CE3 3.97Å; P514-W568 HydrophobicContact CB-CH2 4.28Å; P514-W568 HydrophobicContact CB-CZ3 3.58Å; P514-W568 HydrophobicContact CG-CD2 4.16Å; P514-W568 HydrophobicContact CG-CE3 3.51Å; P514-W568 HydrophobicContact CG-CH2 4.35Å; P514-W568 HydrophobicContact CG-CZ3 3.62Å; W515-W568 AromaticContact CD1-CH2 3.37Å; W515-W568 AromaticContact CD1-CZ2 3.52Å; W515-W568 HydrophobicContact CD2-CH2 4.42Å; W515-W568 AromaticContact CG-CH2 3.96Å; W515-W568 HydrophobicContact CG-CH2 3.96Å; W515-W568 HydrophobicContact CG-CZ2 4.48Å; W515-W568 AromaticContact NE1-CH2 3.46Å; W515-W568 AromaticContact NE1-CZ2 3.6Å; L543-W568 HydrophobicContact CD1-CZ3 4.01Å; W568-H570 VanDerWaalsContact C-N 3.29Å; W568-H570 PolarHBondContact O-CD2 2.97Å; W568-H570 PolarHBondContact O-N 3.09Å; W568-P592 HydrophobicContact CD2-CB 4.48Å; W568-P592 HydrophobicContact CE3-CB 3.86Å; W568-P592 HydrophobicContact CE3-CG 4.37Å; W568-P592 HydrophobicContact CZ3-CB 4.29Å; W568-P592 PolarHBondContact N-O 3.05Å; W568-P592 VanDerWaalsContact N-O 3.07Å; W568-W798 AromaticContact CD1-CE3 3.82Å; W568-W798 HydrophobicContact CD2-CE3 4.37Å; W568-W798 AromaticContact CE2-CE3 3.74Å; W568-W798 HydrophobicContact CG-CE3 4.42Å; W568-W798 HydrophobicContact CZ2-CB 4.03Å; W568-W798 HydrophobicContact CZ2-CE3 4.19Å; W568-W798 AromaticContact NE1-CE3 3.43Å; W568-P799 WeakPolarHBondContact CZ2-O 3.4Å; W568-L800 HydrophobicContact CD2-CD2 4.42Å; W568-L800 HydrophobicContact CG-CD2 4.4Å
569G81.8Confident90.2Very high28 Ų2841.2 Ų41.229%0.28923%0.234SC..THydrogen-bonded Turntrans76.98.1-179.300000115.9Y490 A567Y490-G569 VanDerWaalsContact CD2-CA 3.42Å; A567-G569 PolarHBondContact O-N 3.03Å
570H83.4Confident90.6Very high123 Ų12339.9 Ų39.957%0.56922%0.22SC*.SBendtrans-120.8155.9177.8-65.8-78.7000111.7A567 W568A567-H570 HydrophobicContact CB-CB 4.11Å; A567-H570 PolarHBondContact O-N 3.23Å; A567-H570 VanDerWaalsContact O-N 3.13Å; W568-H570 VanDerWaalsContact C-N 3.29Å; W568-H570 PolarHBondContact O-CD2 2.97Å; W568-H570 PolarHBondContact O-N 3.09Å
571D83.8Confident90.8Very high115 Ų11542.2 Ų42.262%0.61523%0.233SC*.  trans-66.7156172.9-63.6-35.5000111.6
572A89.4Confident91Very high12 Ų1247 Ų4710%0.09926%0.262CS..  trans-70.3136.3179.400000111.4L565 T566L565-A572 WeakPolarHBondContact O-CA 3.38Å; T566-A572 WeakPolarHBondContact OG1-CB 3.24Å
573V91.8Very high91.1Very high54 Ų5445 Ų4533%0.32726%0.259SS..EExtended strand (participates in β ladder)trans-111.5131.6175.3-177.40000109.7L565 V575 M587L565-V573 PolarHBondContact N-O 3.35Å; L565-V573 PolarHBondContact O-N 3.18Å; V573-V575 HydrophobicContact CG1-CG2 3.99Å; V573-M587 HydrophobicContact CB-CE 4.07Å; V573-M587 HydrophobicContact CG2-CE 3.78Å
574V92.3Very high91.1Very high49 Ų4945 Ų4530%0.29726%0.259SS..EExtended strand (participates in β ladder)trans-80.3126.2171.5178.10000109.4F563 W564 I598F563-V574 WeakPolarHBondContact O-CA 3.46Å; W564-V574 VanDerWaalsContact CD1-CG2 3.46Å; W564-V574 VanDerWaalsContact NE1-CG2 3.27Å; V574-I598 HydrophobicContact CG1-CD1 4Å; V574-I598 HydrophobicContact CG2-CD1 4.34Å
575V94Very high91.1Very high10 Ų1046.2 Ų46.26%0.06127%0.266CS..EExtended strand (participates in β ladder)trans-131.8132.1-179.7-174.70000110.7R562 F563 L565 V573 N579 T583R562-V575 WeakPolarHBondContact CA-O 3.2Å; F563-V575 PolarHBondContact N-O 3.49Å; F563-V575 PolarHBondContact O-N 3.2Å; L565-V575 HydrophobicContact CD1-CB 4.19Å; L565-V575 HydrophobicContact CD1-CG2 3.64Å; L565-V575 HydrophobicContact CG-CB 4.45Å; L565-V575 HydrophobicContact CG-CG2 4.02Å; V573-V575 HydrophobicContact CG1-CG2 3.99Å; V575-N579 HydrophobicContact CG1-CB 4.05Å; V575-T583 HydrophobicContact CG2-CG2 3.91Å
576D93.4Very high91.1Very high65 Ų6551.3 Ų51.335%0.34829%0.293SS..EExtended strand (participates in β ladder)trans-73.3153.5173.5-62.6-42.1000111.6R562 T578 N579 F580R562-D576 WeakPolarHBondContact CD-OD1 3.2Å; R562-D576 WeakPolarHBondContact CG-OD1 3.36Å; R562-D576 IonicContact CZ-OD1 3.31Å; R562-D576 IonicContact NE-OD1 2.66Å; R562-D576 PolarHBondContact NE-OD1 2.72Å; R562-D576 IonicContact NH2-OD1 3.75Å; D576-T578 PolarHBondContact O-N 3.18Å; D576-N579 PolarHBondContact O-N 3.02Å; D576-F580 PolarHBondContact O-N 2.85Å
577S89.3Confident91.1Very high31 Ų3152.4 Ų52.422%0.21730%0.298CS..THydrogen-bonded Turntrans-55.9-26.9-178.467.10000114.3I560 S561I560-S577 WeakPolarHBondContact O-CB 3.43Å; S561-S577 WeakPolarHBondContact O-CB 3.38Å; S561-S577 PolarHBondContact O-N 3.31Å
578T90.5Very high91.3Very high111 Ų11152.3 Ų52.368%0.68130%0.297SS*.THydrogen-bonded Turntrans-69.5-37.217851.70000112.8D576D576-T578 PolarHBondContact O-N 3.18Å
579N92.1Very high91.6Very high89 Ų8957.4 Ų57.448%0.47633%0.325SS..THydrogen-bonded Turntrans-100-9.5-176.8-68.5-28.8000113.1V575 D576 L581 T582 T583V575-N579 HydrophobicContact CG1-CB 4.05Å; D576-N579 PolarHBondContact O-N 3.02Å; N579-L581 PolarHBondContact O-N 3.35Å; N579-T582 PolarHBondContact O-N 2.94Å; N579-T582 VanDerWaalsContact O-N 3.07Å; N579-T583 PolarHBondContact O-N 3.36Å; N579-T583 VanDerWaalsContact O-N 3.12Å; N579-T583 PolarHBondContact O-OG1 3.37Å
580F93.5Very high92Very high0 Ų060.3 Ų60.30%034%0.341CS..Hα-helixtrans-45-55-176.4171.5-95.4000113.9I550 L553 F563 L565 D576 T582 T583 A584 I595I550-F580 HydrophobicContact CD1-CZ 4.34Å; I550-F580 HydrophobicContact CG2-CE1 4.28Å; L553-F580 HydrophobicContact CD2-CD1 3.51Å; L553-F580 HydrophobicContact CD2-CE1 3.35Å; L553-F580 HydrophobicContact CD2-CE2 4.43Å; L553-F580 HydrophobicContact CD2-CG 4.15Å; L553-F580 HydrophobicContact CD2-CZ 3.84Å; L553-F580 HydrophobicContact CG-CD1 3.93Å; L553-F580 HydrophobicContact CG-CE1 4.02Å; F563-F580 HydrophobicContact CB-CD2 4.18Å; F563-F580 HydrophobicContact CB-CE2 4.5Å; F563-F580 HydrophobicContact CD1-CD2 4.22Å; F563-F580 HydrophobicContact CD1-CE2 4.17Å; F563-F580 HydrophobicContact CD2-CB 4.23Å; F563-F580 AromaticContact CD2-CD2 3.64Å; F563-F580 HydrophobicContact CD2-CD2 3.64Å; F563-F580 HydrophobicContact CD2-CE2 4.39Å; F563-F580 HydrophobicContact CD2-CG 4.18Å; F563-F580 HydrophobicContact CE2-CB 4.29Å; F563-F580 HydrophobicContact CE2-CD2 4.04Å; F563-F580 HydrophobicContact CE2-CG 4.22Å; F563-F580 AromaticContact CG-CD2 3.74Å; F563-F580 HydrophobicContact CG-CD2 3.74Å; F563-F580 HydrophobicContact CG-CE2 4.09Å; F563-F580 HydrophobicContact CZ-CD2 4.46Å; L565-F580 HydrophobicContact CD2-CD2 4.21Å; L565-F580 HydrophobicContact CD2-CE2 3.87Å; D576-F580 PolarHBondContact O-N 2.85Å; F580-T582 VanDerWaalsContact C-N 3.26Å; F580-T582 PolarHBondContact O-N 2.87Å; F580-T583 PolarHBondContact O-N 2.95Å; F580-A584 HydrophobicContact CD2-CB 4.49Å; F580-A584 HydrophobicContact CE1-CB 4.49Å; F580-A584 HydrophobicContact CE2-CB 4.15Å; F580-A584 HydrophobicContact CZ-CB 4.15Å; F580-A584 WeakPolarHBondContact O-CB 2.92Å; F580-A584 PolarHBondContact O-N 3.45Å; F580-I595 HydrophobicContact CE2-CD1 4.16Å; F580-I595 HydrophobicContact CE2-CG2 3.65Å; F580-I595 HydrophobicContact CZ-CD1 3.98Å; F580-I595 HydrophobicContact CZ-CG2 4.14Å
581L93.9Very high92.4Very high63 Ų6355 Ų5533%0.3332%0.318SS..Hα-helixtrans-63.7-34.2-174.4-68.5176.4000112I550 N579 N585I550-L581 HydrophobicContact CB-CD2 4.43Å; I550-L581 HydrophobicContact CG2-CD2 3.84Å; N579-L581 PolarHBondContact O-N 3.35Å; L581-N585 VanDerWaalsContact O-CB 3.22Å; L581-N585 WeakPolarHBondContact O-CB 3.32Å; L581-N585 VanDerWaalsContact O-CG 3.26Å; L581-N585 PolarHBondContact O-N 3.36Å; L581-N585 PolarHBondContact O-ND2 3.35Å
582T93.7Very high92.8Very high106 Ų10650 Ų5065%0.6529%0.291SS*.Hα-helixtrans-70.4-53.4179.4-52.60000109.9N579 F580 D586N579-T582 PolarHBondContact O-N 2.94Å; N579-T582 VanDerWaalsContact O-N 3.07Å; F580-T582 VanDerWaalsContact C-N 3.26Å; F580-T582 PolarHBondContact O-N 2.87Å; T582-D586 WeakPolarHBondContact O-CB 3.24Å; T582-D586 PolarHBondContact O-N 2.95Å; T582-D586 VanDerWaalsContact O-N 3.13Å
583T94.6Very high93Very high42 Ų4249.4 Ų49.426%0.25829%0.287SS..Hα-helixtrans-68-43.8-176.1-490000112.5L565 V575 N579 F580 D586 M587L565-T583 HydrophobicContact CD1-CG2 3.93Å; V575-T583 HydrophobicContact CG2-CG2 3.91Å; N579-T583 PolarHBondContact O-N 3.36Å; N579-T583 VanDerWaalsContact O-N 3.12Å; N579-T583 PolarHBondContact O-OG1 3.37Å; F580-T583 PolarHBondContact O-N 2.95Å; T583-D586 PolarHBondContact O-N 2.79Å; T583-M587 HydrophobicContact CG2-CE 4.27Å; T583-M587 HydrophobicContact CG2-SD 4.47Å; T583-M587 WeakPolarHBondContact O-CG 3.39Å; T583-M587 PolarHBondContact O-N 3.48Å
584A94.3Very high93.2Very high0 Ų047 Ų470%027%0.272CS..Hα-helixtrans-64.5-44.3-179.600000111.7L565 F580 D586 M587 L588 I595L565-A584 HydrophobicContact CD1-CB 4.03Å; L565-A584 HydrophobicContact CD2-CB 4.47Å; F580-A584 HydrophobicContact CD2-CB 4.49Å; F580-A584 HydrophobicContact CE1-CB 4.49Å; F580-A584 HydrophobicContact CE2-CB 4.15Å; F580-A584 HydrophobicContact CZ-CB 4.15Å; F580-A584 WeakPolarHBondContact O-CB 2.92Å; F580-A584 PolarHBondContact O-N 3.45Å; A584-D586 VanDerWaalsContact C-N 3.3Å; A584-D586 PolarHBondContact O-N 2.91Å; A584-M587 PolarHBondContact O-N 3.3Å; A584-L588 WeakPolarHBondContact O-CB 3.28Å; A584-L588 WeakPolarHBondContact O-CD1 3.25Å; A584-L588 WeakPolarHBondContact O-CG 3.19Å; A584-L588 PolarHBondContact O-N 3.28Å; A584-I595 HydrophobicContact CB-CD1 4.5Å
585N95.7Very high93.4Very high31 Ų3144.7 Ų44.717%0.16626%0.258CS..Hα-helixtrans-66-33.2178-77.7-47.5000112.5R549 I550 L581 L589R549-N585 WeakPolarHBondContact CA-OD1 3.45Å; I550-N585 PolarHBondContact N-OD1 2.96Å; I550-N585 PolarHBondContact O-ND2 2.99Å; I550-N585 PolarHBondContact O-OD1 3.46Å; L581-N585 VanDerWaalsContact O-CB 3.22Å; L581-N585 WeakPolarHBondContact O-CB 3.32Å; L581-N585 VanDerWaalsContact O-CG 3.26Å; L581-N585 PolarHBondContact O-N 3.36Å; L581-N585 PolarHBondContact O-ND2 3.35Å; N585-L589 WeakPolarHBondContact O-CG 3.35Å; N585-L589 PolarHBondContact O-N 3.22Å
586D95Very high93.4Very high107 Ų10744.2 Ų44.257%0.57226%0.255SS*.Hα-helixtrans-68-47.5177-167.852.8000111.5T582 T583 A584 L588 L589T582-D586 WeakPolarHBondContact O-CB 3.24Å; T582-D586 PolarHBondContact O-N 2.95Å; T582-D586 VanDerWaalsContact O-N 3.13Å; T583-D586 PolarHBondContact O-N 2.79Å; A584-D586 VanDerWaalsContact C-N 3.3Å; A584-D586 PolarHBondContact O-N 2.91Å; D586-L588 VanDerWaalsContact C-N 3.29Å; D586-L588 PolarHBondContact O-N 3.46Å; D586-L589 WeakPolarHBondContact O-CB 3.44Å; D586-L589 PolarHBondContact O-N 3.17Å; D586-L589 VanDerWaalsContact O-N 3.14Å
587M94.4Very high93.4Very high36 Ų3641.2 Ų41.218%0.17724%0.239CC..Hα-helixtrans-58.2-41.9174.2-71.1-179.9164.300112L565 A567 V573 T583 A584 L589 S590 S591 V593L565-M587 HydrophobicContact CB-CE 4.42Å; L565-M587 HydrophobicContact CB-SD 3.76Å; L565-M587 HydrophobicContact CD1-SD 4.14Å; A567-M587 HydrophobicContact CB-SD 4.36Å; V573-M587 HydrophobicContact CB-CE 4.07Å; V573-M587 HydrophobicContact CG2-CE 3.78Å; T583-M587 HydrophobicContact CG2-CE 4.27Å; T583-M587 HydrophobicContact CG2-SD 4.47Å; T583-M587 WeakPolarHBondContact O-CG 3.39Å; T583-M587 PolarHBondContact O-N 3.48Å; A584-M587 PolarHBondContact O-N 3.3Å; M587-L589 PolarHBondContact O-N 2.7Å; M587-L589 VanDerWaalsContact O-N 3.15Å; M587-S590 PolarHBondContact O-N 2.99Å; M587-S590 VanDerWaalsContact O-N 3.12Å; M587-S590 PolarHBondContact O-OG 2.86Å; M587-S590 VanDerWaalsContact O-OG 3.09Å; M587-S591 PolarHBondContact O-N 3.18Å; M587-V593 HydrophobicContact CB-CG2 3.64Å
588L94.6Very high93.5Very high1 Ų139.8 Ų39.81%0.00523%0.229CC..THydrogen-bonded Turntrans-65.9-12.7179.9-75.4166.4000114.4T544 T545 G547 T548 I550 A584 D586 S590 S591 V593T544-L588 VanDerWaalsContact OG1-CD2 3.25Å; T544-L588 WeakPolarHBondContact OG1-CD2 3.48Å; T545-L588 WeakPolarHBondContact O-CD2 3.42Å; G547-L588 PolarHBondContact N-O 3.14Å; T548-L588 WeakPolarHBondContact O-CB 3.45Å; T548-L588 WeakPolarHBondContact O-CD1 3.31Å; I550-L588 HydrophobicContact CD1-CD1 3.82Å; I550-L588 HydrophobicContact CG1-CD1 4.01Å; A584-L588 WeakPolarHBondContact O-CB 3.28Å; A584-L588 WeakPolarHBondContact O-CD1 3.25Å; A584-L588 WeakPolarHBondContact O-CG 3.19Å; A584-L588 PolarHBondContact O-N 3.28Å; D586-L588 VanDerWaalsContact C-N 3.29Å; D586-L588 PolarHBondContact O-N 3.46Å; L588-S590 PolarHBondContact O-N 2.89Å; L588-S591 WeakPolarHBondContact CA-O 3.38Å; L588-V593 HydrophobicContact CD2-CB 3.97Å; L588-V593 HydrophobicContact CD2-CG2 3.72Å; L588-V593 HydrophobicContact CG-CB 4.29Å; L588-V593 HydrophobicContact CG-CG2 3.83Å
589L93.2Very high93.3Very high132 Ų13237.9 Ų37.969%0.69121%0.212SC*.THydrogen-bonded Turntrans-67.4-28.1172.5-63.7175.9000112.5N585 D586 M587N585-L589 WeakPolarHBondContact O-CG 3.35Å; N585-L589 PolarHBondContact O-N 3.22Å; D586-L589 WeakPolarHBondContact O-CB 3.44Å; D586-L589 PolarHBondContact O-N 3.17Å; D586-L589 VanDerWaalsContact O-N 3.14Å; M587-L589 PolarHBondContact O-N 2.7Å; M587-L589 VanDerWaalsContact O-N 3.15Å
590S89.5Confident93Very high90 Ų9034.2 Ų34.263%0.62919%0.194SC*.THydrogen-bonded Turntrans-113.1-34.8-171.3640000113.3M587 L588M587-S590 PolarHBondContact O-N 2.99Å; M587-S590 VanDerWaalsContact O-N 3.12Å; M587-S590 PolarHBondContact O-OG 2.86Å; M587-S590 VanDerWaalsContact O-OG 3.09Å; L588-S590 PolarHBondContact O-N 2.89Å
591S90.8Very high92.4Very high12 Ų1241.8 Ų41.88%0.08422%0.223CC..SBendtrans-148.5158.2-171.759.10000112.6A567 M587 L588A567-S591 WeakPolarHBondContact CB-OG 3.41Å; M587-S591 PolarHBondContact O-N 3.18Å; L588-S591 WeakPolarHBondContact CA-O 3.38Å
592P92.5Very high91.5Very high8 Ų845.5 Ų45.55%0.05224%0.239CC..  trans-61.5148.7165-18.531.5000111.3T544 C546 W568 L800 P801T544-P592 CarbonylContact O-C 3.52Å; T544-P592 VanDerWaalsContact O-CA 3.24Å; T544-P592 WeakPolarHBondContact O-CA 3.5Å; T544-P592 VanDerWaalsContact O-CB 3.29Å; T544-P592 WeakPolarHBondContact O-CB 3.44Å; C546-P592 HydrophobicContact CB-CG 4.26Å; W568-P592 HydrophobicContact CD2-CB 4.48Å; W568-P592 HydrophobicContact CE3-CB 3.86Å; W568-P592 HydrophobicContact CE3-CG 4.37Å; W568-P592 HydrophobicContact CZ3-CB 4.29Å; W568-P592 PolarHBondContact N-O 3.05Å; W568-P592 VanDerWaalsContact N-O 3.07Å; P592-L800 HydrophobicContact CG-CD2 4.07Å; P592-P801 HydrophobicContact CB-CG 3.6Å; P592-P801 HydrophobicContact CG-CG 3.98Å
593V94.6Very high90.7Very high0 Ų042.7 Ų42.70%022%0.218CC..EExtended strand (participates in β ladder)trans-130.9130.2-175.7-175.50000110.2T544 L565 T566 A567 M587 L588 I595T544-V593 PolarHBondContact N-O 2.55Å; T544-V593 PolarHBondContact O-N 3.12Å; T544-V593 PolarHBondContact OG1-O 2.92Å; L565-V593 HydrophobicContact CB-CG1 4.18Å; T566-V593 WeakPolarHBondContact O-CA 3.06Å; A567-V593 HydrophobicContact CB-CG2 4.37Å; M587-V593 HydrophobicContact CB-CG2 3.64Å; L588-V593 HydrophobicContact CD2-CB 3.97Å; L588-V593 HydrophobicContact CD2-CG2 3.72Å; L588-V593 HydrophobicContact CG-CB 4.29Å; L588-V593 HydrophobicContact CG-CG2 3.83Å; V593-I595 HydrophobicContact CG1-CG1 3.99Å
594L96Very high89.1Confident4 Ų450.2 Ų50.22%0.02125%0.25CS..EExtended strand (participates in β ladder)trans-88.3129.5164.5178.773.3000109.5P514 F518 T541 L543 L565 T566 Q596P514-L594 HydrophobicContact CB-CB 3.57Å; P514-L594 HydrophobicContact CB-CD2 4.06Å; P514-L594 HydrophobicContact CB-CG 4.38Å; F518-L594 HydrophobicContact CB-CD1 3.9Å; F518-L594 HydrophobicContact CD2-CD1 4.32Å; T541-L594 HydrophobicContact CG2-CD1 3.57Å; T541-L594 HydrophobicContact CG2-CG 4.46Å; L543-L594 HydrophobicContact CB-CD1 4.24Å; L543-L594 HydrophobicContact CD1-CB 4.26Å; L543-L594 HydrophobicContact CD1-CD1 4.43Å; L565-L594 WeakPolarHBondContact CA-O 3.22Å; T566-L594 PolarHBondContact N-O 3.22Å; T566-L594 PolarHBondContact O-N 2.61Å; L594-Q596 HydrophobicContact CD2-CG 3.97Å; L594-Q596 HydrophobicContact CG-CG 3.92Å
595I96Very high87.9Confident0 Ų054.5 Ų54.50%027%0.27CS..EExtended strand (participates in β ladder)trans-119.8111.6-176.4-56.2179.7000107.2T541 L542 T544 I550 F563 W564 L565 F580 A584 V593T541-I595 WeakPolarHBondContact CA-O 3.37Å; L542-I595 HydrophobicContact CB-CB 4.18Å; L542-I595 HydrophobicContact CD2-CD1 3.99Å; L542-I595 HydrophobicContact CG-CD1 4.47Å; L542-I595 PolarHBondContact N-O 3.01Å; L542-I595 WeakPolarHBondContact O-CB 3.44Å; L542-I595 PolarHBondContact O-N 3.38Å; T544-I595 HydrophobicContact CG2-CD1 4.48Å; I550-I595 HydrophobicContact CD1-CD1 3.75Å; F563-I595 HydrophobicContact CD1-CG2 4.08Å; W564-I595 WeakPolarHBondContact O-CA 3.21Å; L565-I595 HydrophobicContact CD2-CB 4.18Å; L565-I595 HydrophobicContact CD2-CD1 4.34Å; L565-I595 HydrophobicContact CD2-CG1 3.76Å; L565-I595 HydrophobicContact CD2-CG2 3.89Å; F580-I595 HydrophobicContact CE2-CD1 4.16Å; F580-I595 HydrophobicContact CE2-CG2 3.65Å; F580-I595 HydrophobicContact CZ-CD1 3.98Å; F580-I595 HydrophobicContact CZ-CG2 4.14Å; A584-I595 HydrophobicContact CB-CD1 4.5Å; V593-I595 HydrophobicContact CG1-CG1 3.99Å
596Q94.9Very high86.9Confident1 Ų159 Ų591%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-113.7130.4178.2-48.7-165.9-104.400109.5T541 F563 W564 L594 I717T541-Q596 HydrophobicContact CG2-CG 4.02Å; F563-Q596 CarbonylContact C-O 3.58Å; F563-Q596 VanDerWaalsContact CA-O 3.29Å; F563-Q596 WeakPolarHBondContact CA-O 3.35Å; W564-Q596 HydrophobicContact CB-CB 4.33Å; W564-Q596 PolarHBondContact N-O 3.12Å; W564-Q596 PolarHBondContact O-N 3.07Å; L594-Q596 HydrophobicContact CD2-CG 3.97Å; L594-Q596 HydrophobicContact CG-CG 3.92Å; Q596-I717 PolarHBondContact NE2-O 3.16Å
597A93Very high86.5Confident1 Ų155 Ų551%0.00827%0.273CS..EExtended strand (participates in β ladder)trans-69.6136.7167.500000109.5L539 P540 L557 I560L539-A597 HydrophobicContact CB-CB 4.18Å; L539-A597 WeakPolarHBondContact CD1-O 3.24Å; P540-A597 PolarHBondContact O-N 3.43Å; P540-A597 VanDerWaalsContact O-N 3.13Å; L557-A597 HydrophobicContact CD2-CB 4.26Å; I560-A597 HydrophobicContact CB-CB 4.43Å; I560-A597 HydrophobicContact CD1-CB 3.81Å; I560-A597 HydrophobicContact CG1-CB 3.83Å; I560-A597 HydrophobicContact CG2-CB 3.71Å
598I91Very high86Confident2 Ų255 Ų551%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-127.9-15.2-177.461.1166.7000114.5R562 W564 V574 L651 I717R562-I598 VanDerWaalsContact C-CG1 3.46Å; R562-I598 HydrophobicContact CB-CD1 3.8Å; R562-I598 HydrophobicContact CB-CG1 3.64Å; R562-I598 VanDerWaalsContact O-CG1 3.23Å; R562-I598 WeakPolarHBondContact O-CG1 3.33Å; R562-I598 PolarHBondContact O-N 2.93Å; R562-I598 VanDerWaalsContact O-N 3.09Å; W564-I598 HydrophobicContact CB-CG2 4.08Å; W564-I598 HydrophobicContact CD2-CG2 3.4Å; W564-I598 VanDerWaalsContact CD2-CG2 3.4Å; W564-I598 HydrophobicContact CE3-CG2 3.5Å; W564-I598 VanDerWaalsContact CE3-CG2 3.5Å; W564-I598 HydrophobicContact CG-CD1 4.33Å; W564-I598 HydrophobicContact CG-CG2 3.66Å; W564-I598 HydrophobicContact CZ2-CG2 4.47Å; W564-I598 HydrophobicContact CZ3-CG2 4.1Å; V574-I598 HydrophobicContact CG1-CD1 4Å; V574-I598 HydrophobicContact CG2-CD1 4.34Å; I598-L651 WeakPolarHBondContact O-CD1 3.44Å; I598-L651 WeakPolarHBondContact O-CD2 3.42Å; I598-I717 HydrophobicContact CB-CD1 4.5Å; I598-I717 HydrophobicContact CG2-CG2 4.02Å
599E87.4Confident85.8Confident70 Ų7057.1 Ų57.133%0.32729%0.286SS..EExtended strand (participates in β ladder)trans-156.9142-180-166.3-179.9173.700108.2I560 S561 R562I560-E599 WeakPolarHBondContact CG2-O 3.48Å; S561-E599 PolarHBondContact N-O 2.96Å; S561-E599 VanDerWaalsContact OG-C 3.26Å; S561-E599 VanDerWaalsContact OG-CB 3.25Å; S561-E599 WeakPolarHBondContact OG-CB 3.43Å; S561-E599 VanDerWaalsContact OG-CG 3.25Å; S561-E599 WeakPolarHBondContact OG-CG 3.26Å; S561-E599 PolarHBondContact OG-O 3.2Å; R562-E599 HydrophobicContact CB-CB 4.11Å; R562-E599 WeakPolarHBondContact CD-OE2 3.49Å; R562-E599 IonicContact CZ-OE2 3.97Å; R562-E599 PolarHBondContact N-O 2.94Å; R562-E599 IonicContact NE-OE2 3.47Å; R562-E599 IonicContact NH1-OE2 3.86Å; R562-E599 PolarHBondContact NH1-OE2 2.85Å
600S84.9Confident85.7Confident12 Ų1251 Ų518%0.08425%0.254CS..EExtended strand (participates in β ladder)trans-129.1143.6-179.3-171.90000111.5G559 E602 F603G559-S600 PolarHBondContact O-OG 3Å; S600-E602 PolarHBondContact O-N 3.17Å; S600-E602 PolarHBondContact OG-N 2.83Å; S600-F603 VanDerWaalsContact CB-CD2 3.49Å
601Y80.7Confident86Confident159 Ų15947 Ų4762%0.62423%0.225SC*.THydrogen-bonded Turntrans-71.8-16.4170.7-64.4-65000112.8G559 S561 F603G559-Y601 WeakPolarHBondContact O-CB 3.49Å; G559-Y601 VanDerWaalsContact O-CD2 3.28Å; G559-Y601 WeakPolarHBondContact O-CD2 3.47Å; G559-Y601 PolarHBondContact O-N 2.78Å; S561-Y601 VanDerWaalsContact CA-CE2 3.4Å; Y601-F603 VanDerWaalsContact C-N 3.32Å
602E75.3Confident86.2Confident141 Ų14146.6 Ų46.666%0.65922%0.222SC*.THydrogen-bonded Turntrans-80.5-13.4-175-61.1-176165.200113.2S600 E604S600-E602 PolarHBondContact O-N 3.17Å; S600-E602 PolarHBondContact OG-N 2.83Å; E602-E604 PolarHBondContact O-N 3.21Å
603F76Confident86.3Confident48 Ų4846.3 Ų46.321%0.21122%0.22CC..  trans-78.3118.5178.3-58-46.6000110.2L539 S600 Y601 E605 L607 L651 Y715L539-F603 HydrophobicContact CD2-CE2 4.29Å; L539-F603 HydrophobicContact CD2-CZ 3.85Å; S600-F603 VanDerWaalsContact CB-CD2 3.49Å; Y601-F603 VanDerWaalsContact C-N 3.32Å; F603-E605 VanDerWaalsContact C-N 3.29Å; F603-L607 HydrophobicContact CB-CD1 3.9Å; F603-L607 HydrophobicContact CB-CG 4.48Å; F603-L607 HydrophobicContact CD1-CD1 4.19Å; F603-L607 HydrophobicContact CD2-CD1 3.87Å; F603-L607 HydrophobicContact CE2-CD1 4.47Å; F603-L607 HydrophobicContact CG-CD1 3.73Å; F603-L651 HydrophobicContact CD2-CD1 4.23Å; F603-L651 HydrophobicContact CE2-CD1 3.7Å; F603-Y715 AromaticContact CD1-CE2 3.8Å; F603-Y715 HydrophobicContact CD1-CE2 3.8Å; F603-Y715 AromaticContact CD1-CZ 3.9Å; F603-Y715 HydrophobicContact CE1-CD1 4.18Å; F603-Y715 AromaticContact CE1-CD2 3.99Å; F603-Y715 HydrophobicContact CE1-CD2 3.99Å; F603-Y715 AromaticContact CE1-CE1 3.73Å; F603-Y715 HydrophobicContact CE1-CE1 3.73Å; F603-Y715 AromaticContact CE1-CE2 3.5Å; F603-Y715 HydrophobicContact CE1-CE2 3.5Å; F603-Y715 VanDerWaalsContact CE1-CE2 3.5Å; F603-Y715 HydrophobicContact CE1-CG 4.31Å; F603-Y715 AromaticContact CE1-CZ 3.36Å; F603-Y715 HydrophobicContact CE2-CD2 4.49Å; F603-Y715 HydrophobicContact CZ-CD1 4.14Å; F603-Y715 AromaticContact CZ-CD2 3.98Å; F603-Y715 HydrophobicContact CZ-CD2 3.98Å; F603-Y715 HydrophobicContact CZ-CE1 4.16Å; F603-Y715 AromaticContact CZ-CE2 3.98Å; F603-Y715 HydrophobicContact CZ-CE2 3.98Å; F603-Y715 HydrophobicContact CZ-CG 4.06Å
604E61.2Low86.4Confident199 Ų19946.3 Ų46.393%0.9322%0.22SC*.SBendtrans-70.6-26.7177.7-65.8-173.716900112.6E602E602-E604 PolarHBondContact O-N 3.21Å
605E69.1Low86.3Confident90 Ų9046.1 Ų46.142%0.42122%0.219SC..SBendtrans-88147.3179.6-62.9-167.8160.800111.7F603 L607F603-E605 VanDerWaalsContact C-N 3.29Å; E605-L607 HydrophobicContact CB-CD2 4.15Å; E605-L607 HydrophobicContact CB-CG 4.29Å; E605-L607 PolarHBondContact O-N 3.23Å
606N75.9Confident86.2Confident125 Ų12546.2 Ų46.267%0.66822%0.22SC*.  trans-69.982.7169.8-74.8-0.4000109.8
607L85.1Confident86Confident25 Ų2547 Ų4713%0.13123%0.225CC..EExtended strand (participates in β ladder)trans-84.7140.4173.8-58.1179.8000110.1F603 E605 L651 P653 Y715F603-L607 HydrophobicContact CB-CD1 3.9Å; F603-L607 HydrophobicContact CB-CG 4.48Å; F603-L607 HydrophobicContact CD1-CD1 4.19Å; F603-L607 HydrophobicContact CD2-CD1 3.87Å; F603-L607 HydrophobicContact CE2-CD1 4.47Å; F603-L607 HydrophobicContact CG-CD1 3.73Å; E605-L607 HydrophobicContact CB-CD2 4.15Å; E605-L607 HydrophobicContact CB-CG 4.29Å; E605-L607 PolarHBondContact O-N 3.23Å; L607-L651 HydrophobicContact CB-CB 4.21Å; L607-L651 HydrophobicContact CD1-CB 4.41Å; L607-P653 HydrophobicContact CD2-CB 4.09Å; L607-P653 HydrophobicContact CD2-CG 4.42Å; L607-Y715 HydrophobicContact CD1-CD2 3.69Å; L607-Y715 HydrophobicContact CD1-CE2 3.63Å
608S85.5Confident85.8Confident34 Ų3450.9 Ų50.924%0.23824%0.242CC..EExtended strand (participates in β ladder)trans-130.1156.7178.362.90000110.5R610 L651 A652S608-R610 PolarHBondContact O-N 2.99Å; S608-L651 WeakPolarHBondContact O-CA 3.21Å; S608-A652 PolarHBondContact N-O 3.46Å; S608-A652 PolarHBondContact O-N 3.04Å; S608-A652 PolarHBondContact OG-O 3.39Å
609Q88.8Confident85.5Confident46 Ų4657.3 Ų57.322%0.21527%0.272CS..EExtended strand (participates in β ladder)trans-69.5123.7175.4-67.5-178.2-1.400110.2V650 L651 I717Q609-V650 CarbonylContact C-O 3.55Å; Q609-V650 WeakPolarHBondContact CA-O 3.25Å; Q609-L651 HydrophobicContact CG-CD2 3.86Å; Q609-I717 HydrophobicContact CG-CD1 4.22Å
610R92.4Very high85.5Confident3 Ų354.4 Ų54.41%0.01126%0.258CS..EExtended strand (participates in β ladder)trans-131.9158.7178.7-62.7-165.971.2175.8-0.3111.2S608 V650 A652 A697 V698 L699 E703S608-R610 PolarHBondContact O-N 2.99Å; R610-V650 HydrophobicContact CB-CG2 4.29Å; R610-V650 PolarHBondContact N-O 3.4Å; R610-V650 PolarHBondContact O-N 3.22Å; R610-A652 HydrophobicContact CB-CB 4.46Å; R610-A652 HydrophobicContact CG-CB 4.45Å; R610-A697 CarbonylContact C-O 3.47Å; R610-A697 WeakPolarHBondContact CA-O 3.04Å; R610-A697 WeakPolarHBondContact CB-O 3.44Å; R610-V698 PolarHBondContact NH2-O 2.93Å; R610-L699 HydrophobicContact CB-CB 4.28Å; R610-E703 IonicContact CZ-OE1 2.91Å; R610-E703 IonicContact CZ-OE2 2.79Å; R610-E703 VanDerWaalsContact NH1-CD 3.32Å; R610-E703 IonicContact NH1-OE1 3.68Å; R610-E703 PolarHBondContact NH1-OE1 3.41Å; R610-E703 IonicContact NH1-OE2 3.08Å; R610-E703 VanDerWaalsContact NH2-CD 3.28Å; R610-E703 IonicContact NH2-OE1 3.21Å; R610-E703 PolarHBondContact NH2-OE1 3.29Å; R610-E703 IonicContact NH2-OE2 3.45Å; R610-E703 PolarHBondContact NH2-OE2 3.28Å
611Y94.4Very high85.5Confident7 Ų754.8 Ų54.83%0.02726%0.259CS..EExtended strand (participates in β ladder)trans-116.2120-174.8-53.4-74.7000110.8Y647 I648 I649 A697 V698 L699 L730Y611-Y647 AromaticContact CD1-CD2 3.72Å; Y611-Y647 HydrophobicContact CD1-CD2 3.72Å; Y611-Y647 HydrophobicContact CD1-CE2 4.03Å; Y611-Y647 HydrophobicContact CE1-CD2 4.35Å; Y611-Y647 HydrophobicContact CE1-CE2 4.2Å; Y611-I648 CarbonylContact C-O 3.58Å; Y611-I648 WeakPolarHBondContact CA-O 3.47Å; Y611-I649 HydrophobicContact CD1-CG1 4.04Å; Y611-I649 HydrophobicContact CD1-CG2 4.4Å; Y611-I649 HydrophobicContact CE1-CD1 4.16Å; Y611-I649 HydrophobicContact CE1-CG1 4.1Å; Y611-I649 HydrophobicContact CE1-CG2 4.22Å; Y611-A697 HydrophobicContact CD2-CB 3.57Å; Y611-A697 HydrophobicContact CE2-CB 3.55Å; Y611-A697 PolarHBondContact N-O 2.78Å; Y611-V698 WeakPolarHBondContact O-CA 3.38Å; Y611-L699 PolarHBondContact O-N 3Å; Y611-L730 HydrophobicContact CD1-CD2 4.2Å; Y611-L730 HydrophobicContact CD2-CD2 4.29Å; Y611-L730 HydrophobicContact CG-CD1 4.46Å; Y611-L730 HydrophobicContact CG-CD2 3.89Å
612I95Very high85.6Confident3 Ų354 Ų542%0.01526%0.261CS..EExtended strand (participates in β ladder)trans-91116.1169.9-55.4169.3000107.4Y647 I648 V650 L699 L704I612-Y647 CarbonylContact O-C 3.47Å; I612-Y647 WeakPolarHBondContact O-CA 3.49Å; I612-I648 HydrophobicContact CB-CB 4.2Å; I612-I648 PolarHBondContact N-O 3.31Å; I612-I648 PolarHBondContact O-N 3.35Å; I612-V650 HydrophobicContact CD1-CG1 3.84Å; I612-V650 HydrophobicContact CD1-CG2 4.24Å; I612-V650 HydrophobicContact CG1-CG2 4.3Å; I612-L699 HydrophobicContact CD1-CD2 4.42Å; I612-L699 HydrophobicContact CG1-CB 4.27Å; I612-L699 HydrophobicContact CG1-CD2 4.07Å; I612-L704 HydrophobicContact CD1-CD1 4.46Å; I612-L704 HydrophobicContact CD1-CD2 4.11Å; I612-L704 HydrophobicContact CG2-CD2 4.34Å
613P95.7Very high85.7Confident2 Ų254.7 Ų54.71%0.01326%0.264CS..EExtended strand (participates in β ladder)trans-71.9145.9-179.729.6-32.2000111.2V698 L699 L730 A733 V734 Q737P613-V698 HydrophobicContact CG-CG1 4.19Å; P613-L699 WeakPolarHBondContact CD-O 3.3Å; P613-L730 HydrophobicContact CB-CD1 4.17Å; P613-A733 HydrophobicContact CB-CB 3.96Å; P613-A733 HydrophobicContact CG-CB 3.91Å; P613-V734 HydrophobicContact CB-CG2 3.75Å; P613-Q737 VanDerWaalsContact CB-OE1 3.28Å; P613-Q737 PolarHBondContact O-NE2 3.41Å; P613-Q737 PolarHBondContact O-OE1 3.24Å
614L95.6Very high85.6Confident0 Ų052.7 Ų52.70%026%0.256CS..EExtended strand (participates in β ladder)trans-114.6145173-57.6175.8000110.2I616 L641 V644 G646 I648 L719 V734 Q737L614-I616 HydrophobicContact CD2-CD1 4.13Å; L614-I616 HydrophobicContact CD2-CG1 3.6Å; L614-L641 HydrophobicContact CD1-CD2 4.33Å; L614-L641 HydrophobicContact CD2-CB 4.38Å; L614-L641 HydrophobicContact CD2-CD2 4.4Å; L614-V644 HydrophobicContact CB-CG2 4.47Å; L614-V644 HydrophobicContact CD1-CG2 4.11Å; L614-G646 WeakPolarHBondContact CB-O 3.43Å; L614-G646 PolarHBondContact N-O 3.25Å; L614-I648 HydrophobicContact CD1-CG1 4.17Å; L614-I648 HydrophobicContact CD2-CD1 4.07Å; L614-I648 HydrophobicContact CD2-CG1 4.21Å; L614-I648 HydrophobicContact CG-CG1 4.37Å; L614-L719 HydrophobicContact CD1-CD1 3.99Å; L614-L719 HydrophobicContact CD1-CG 4.25Å; L614-V734 WeakPolarHBondContact O-CG1 3.47Å; L614-Q737 VanDerWaalsContact CA-OE1 3.32Å; L614-Q737 VanDerWaalsContact N-OE1 3.09Å; L614-Q737 PolarHBondContact O-OE1 3.05Å
615P95.1Very high85.9Confident0 Ų047 Ų470%024%0.238CC..SBendcis-80.1144.811.230.6-37.3000114.5L641 T642 V644 Q737 I738 Q741 L743P615-L641 CarbonylContact C-O 3.54Å; P615-L641 VanDerWaalsContact CA-O 3.28Å; P615-L641 WeakPolarHBondContact CA-O 3.47Å; P615-T642 WeakPolarHBondContact CB-O 3.47Å; P615-V644 WeakPolarHBondContact CA-O 3.49Å; P615-V644 WeakPolarHBondContact CB-O 3.38Å; P615-V644 WeakPolarHBondContact CD-O 3.25Å; P615-Q737 HydrophobicContact CG-CB 4.07Å; P615-Q737 PolarHBondContact O-NE2 3.21Å; P615-Q737 PolarHBondContact O-OE1 3.42Å; P615-I738 HydrophobicContact CG-CG1 4.47Å; P615-Q741 PolarHBondContact O-NE2 3Å; P615-Q741 VanDerWaalsContact O-NE2 3.17Å; P615-L743 HydrophobicContact CG-CD2 4.1Å
616I92.8Very high86Confident3 Ų350.5 Ų50.52%0.01526%0.259CS..PPolyproline II helixtrans-68135.6171.5-59.5-178.7000109.1L614 F620 L621 I632 L641 T642 Q741L614-I616 HydrophobicContact CD2-CD1 4.13Å; L614-I616 HydrophobicContact CD2-CG1 3.6Å; I616-F620 HydrophobicContact CG2-CD1 3.58Å; I616-F620 HydrophobicContact CG2-CE1 4.19Å; I616-F620 HydrophobicContact CG2-CG 4.42Å; I616-L621 HydrophobicContact CG2-CD1 4.15Å; I616-L621 HydrophobicContact CG2-CD2 3.92Å; I616-L621 HydrophobicContact CG2-CG 3.78Å; I616-I632 HydrophobicContact CD1-CD1 4.35Å; I616-I632 HydrophobicContact CD1-CG2 3.83Å; I616-L641 HydrophobicContact CD1-CB 4.01Å; I616-L641 HydrophobicContact CD1-CD1 3.66Å; I616-L641 HydrophobicContact CD1-CG 4.5Å; I616-L641 HydrophobicContact CG1-CB 4.21Å; I616-L641 PolarHBondContact N-O 3.22Å; I616-T642 WeakPolarHBondContact O-CG2 3.3Å; I616-Q741 PolarHBondContact O-NE2 3.01Å
617S91.2Very high86.2Confident16 Ų1648 Ų4811%0.11225%0.251CS..PPolyproline II helixtrans-67.9139179.2810000112.4E619 F620 L621 E701S617-E619 PolarHBondContact O-N 3.1Å; S617-F620 PolarHBondContact O-N 2.97Å; S617-F620 WeakPolarHBondContact OG-CB 3.18Å; S617-F620 PolarHBondContact OG-N 2.99Å; S617-L621 WeakPolarHBondContact O-CG 3.37Å; S617-L621 PolarHBondContact O-N 2.92Å; S617-L621 VanDerWaalsContact O-N 3.17Å; S617-E701 WeakPolarHBondContact CB-OE1 3.34Å; S617-E701 VanDerWaalsContact CB-OE2 3.29Å; S617-E701 WeakPolarHBondContact CB-OE2 3.42Å; S617-E701 PolarHBondContact N-OE1 3.15Å; S617-E701 PolarHBondContact OG-OE1 3.23Å; S617-E701 PolarHBondContact OG-OE2 3.21Å
618K88.5Confident86.1Confident84 Ų8448.1 Ų48.137%0.36525%0.251SS..Hα-helixtrans-60.4-35.1173.9-66.6175.6-177.6172.40111.5L621 Q622 T642 Y643K618-L621 PolarHBondContact O-N 2.91Å; K618-Q622 VanDerWaalsContact O-CG 3.27Å; K618-Q622 WeakPolarHBondContact O-CG 3.15Å; K618-Q622 PolarHBondContact O-N 3.48Å; K618-T642 HydrophobicContact CG-CG2 4.08Å; K618-Y643 PolarHBondContact NZ-OH 2.89Å
619E86Confident86.1Confident137 Ų13747.2 Ų47.264%0.6425%0.245SC*.Hα-helixtrans-63.3-46.5176.8-63.7179.4-177.900111.2S617 L621 Q622 H623S617-E619 PolarHBondContact O-N 3.1Å; E619-L621 VanDerWaalsContact C-N 3.35Å; E619-L621 PolarHBondContact O-N 3.32Å; E619-Q622 PolarHBondContact O-N 3.31Å; E619-H623 WeakPolarHBondContact O-CB 3.38Å; E619-H623 PolarHBondContact O-CD2 2.89Å; E619-H623 PolarHBondContact O-N 3.17Å
620F86.4Confident86Confident8 Ų849 Ų494%0.03525%0.253CS..Hα-helixtrans-58.2-47175.3172-91.9000111.2I616 S617 Q622 H623 S624 E701 L704 L705 M708I616-F620 HydrophobicContact CG2-CD1 3.58Å; I616-F620 HydrophobicContact CG2-CE1 4.19Å; I616-F620 HydrophobicContact CG2-CG 4.42Å; S617-F620 PolarHBondContact O-N 2.97Å; S617-F620 WeakPolarHBondContact OG-CB 3.18Å; S617-F620 PolarHBondContact OG-N 2.99Å; F620-Q622 VanDerWaalsContact C-N 3.31Å; F620-Q622 PolarHBondContact O-N 2.92Å; F620-H623 PolarHBondContact O-N 3.06Å; F620-S624 VanDerWaalsContact O-CB 3.26Å; F620-S624 WeakPolarHBondContact O-CB 3.11Å; F620-S624 PolarHBondContact O-N 3.42Å; F620-S624 PolarHBondContact O-OG 2.85Å; F620-E701 HydrophobicContact CB-CG 4.35Å; F620-E701 WeakPolarHBondContact CB-OE2 3.45Å; F620-E701 HydrophobicContact CD2-CB 3.64Å; F620-E701 HydrophobicContact CD2-CG 3.97Å; F620-E701 HydrophobicContact CE2-CB 4.09Å; F620-E701 HydrophobicContact CE2-CG 4.41Å; F620-E701 HydrophobicContact CG-CB 4.25Å; F620-E701 HydrophobicContact CG-CG 4.11Å; F620-L704 HydrophobicContact CE1-CD2 4.38Å; F620-L704 HydrophobicContact CE2-CD2 4.2Å; F620-L704 HydrophobicContact CE2-CG 4.34Å; F620-L704 HydrophobicContact CZ-CD2 3.63Å; F620-L704 HydrophobicContact CZ-CG 4.02Å; F620-L705 HydrophobicContact CD2-CD1 4.19Å; F620-L705 HydrophobicContact CD2-CD2 3.88Å; F620-L705 HydrophobicContact CD2-CG 3.85Å; F620-L705 HydrophobicContact CE2-CD1 4.4Å; F620-L705 HydrophobicContact CE2-CD2 3.51Å; F620-L705 HydrophobicContact CE2-CG 3.57Å; F620-L705 HydrophobicContact CZ-CD2 4.31Å; F620-M708 HydrophobicContact CZ-CE 4.37Å; F620-M708 HydrophobicContact CZ-SD 4.16Å
621L85.7Confident85.8Confident20 Ų2048.9 Ų48.911%0.10525%0.253CS..Hα-helixtrans-62.8-35.7179.9-66.8169.6000113.1I616 S617 K618 E619 S625 I628 M636 T642I616-L621 HydrophobicContact CG2-CD1 4.15Å; I616-L621 HydrophobicContact CG2-CD2 3.92Å; I616-L621 HydrophobicContact CG2-CG 3.78Å; S617-L621 WeakPolarHBondContact O-CG 3.37Å; S617-L621 PolarHBondContact O-N 2.92Å; S617-L621 VanDerWaalsContact O-N 3.17Å; K618-L621 PolarHBondContact O-N 2.91Å; E619-L621 VanDerWaalsContact C-N 3.35Å; E619-L621 PolarHBondContact O-N 3.32Å; L621-S625 PolarHBondContact O-N 2.89Å; L621-S625 PolarHBondContact O-OG 3.46Å; L621-I628 HydrophobicContact CD2-CD1 3.86Å; L621-M636 HydrophobicContact CD1-CE 3.55Å; L621-M636 HydrophobicContact CD1-SD 3.91Å; L621-M636 HydrophobicContact CD2-CE 4.14Å; L621-M636 HydrophobicContact CD2-SD 3.49Å; L621-M636 WeakPolarHBondContact CD2-SD 3.12Å; L621-M636 HydrophobicContact CG-CE 4.41Å; L621-M636 HydrophobicContact CG-SD 4.33Å; L621-T642 HydrophobicContact CD1-CG2 3.51Å
622Q82.7Confident85.6Confident143 Ų14348.5 Ų48.567%0.66825%0.251SS*.Hα-helixtrans-73.6-40.5176.3-72.2173.64.600112.5K618 E619 F620 S625K618-Q622 VanDerWaalsContact O-CG 3.27Å; K618-Q622 WeakPolarHBondContact O-CG 3.15Å; K618-Q622 PolarHBondContact O-N 3.48Å; E619-Q622 PolarHBondContact O-N 3.31Å; F620-Q622 VanDerWaalsContact C-N 3.31Å; F620-Q622 PolarHBondContact O-N 2.92Å; Q622-S625 PolarHBondContact O-OG 3.42Å
623H77Confident85.3Confident156 Ų15651.4 Ų51.472%0.72227%0.269SS*.Hα-helixtrans-75.7-24.7-179-76.6-55.6000113.6E619 F620E619-H623 WeakPolarHBondContact O-CB 3.38Å; E619-H623 PolarHBondContact O-CD2 2.89Å; E619-H623 PolarHBondContact O-N 3.17Å; F620-H623 PolarHBondContact O-N 3.06Å
624S74.1Confident85Confident6 Ų651.9 Ų51.94%0.04227%0.271CS..THydrogen-bonded Turntrans-108.610.6-172.765.80000114.6F620 N626 C627 I628F620-S624 VanDerWaalsContact O-CB 3.26Å; F620-S624 WeakPolarHBondContact O-CB 3.11Å; F620-S624 PolarHBondContact O-N 3.42Å; F620-S624 PolarHBondContact O-OG 2.85Å; S624-N626 PolarHBondContact O-N 3.02Å; S624-C627 PolarHBondContact O-N 2.92Å; S624-I628 WeakPolarHBondContact O-CG1 3.4Å; S624-I628 PolarHBondContact O-N 3.11Å; S624-I628 WeakPolarHBondContact OG-CD1 3.46Å; S624-I628 WeakPolarHBondContact OG-CG1 3.35Å
625S68.4Low84.8Confident78 Ų7851.9 Ų51.955%0.54527%0.271SS..THydrogen-bonded Turntrans-51.7-23.7-167.1-47.60000115.9L621 Q622L621-S625 PolarHBondContact O-N 2.89Å; L621-S625 PolarHBondContact O-OG 3.46Å; Q622-S625 PolarHBondContact O-OG 3.42Å
626N70.9Confident84.6Confident164 Ų16454.9 Ų54.988%0.87729%0.286SS*.THydrogen-bonded Turntrans-95.6-6.7177.9-66.9-8.2000115.2S624S624-N626 PolarHBondContact O-N 3.02Å
627C78.4Confident84.3Confident72 Ų7258.5 Ų58.549%0.48631%0.305SS..THydrogen-bonded Turntrans-123.7-7.6-173.9-61.40000114.1S624 M708S624-C627 PolarHBondContact O-N 2.92Å; C627-M708 HydrophobicContact CB-CE 3.84Å; C627-M708 WeakPolarHBondContact O-CE 3.46Å
628I84.2Confident84.1Confident28 Ų2858.1 Ų58.114%0.14430%0.302CS..SBendtrans-55132.4-178.2-65.8162.9000110.2L621 S624 E630 I632 V633L621-I628 HydrophobicContact CD2-CD1 3.86Å; S624-I628 WeakPolarHBondContact O-CG1 3.4Å; S624-I628 PolarHBondContact O-N 3.11Å; S624-I628 WeakPolarHBondContact OG-CD1 3.46Å; S624-I628 WeakPolarHBondContact OG-CG1 3.35Å; I628-E630 PolarHBondContact O-N 3.31Å; I628-I632 HydrophobicContact CG2-CB 3.62Å; I628-I632 HydrophobicContact CG2-CG2 3.69Å; I628-V633 HydrophobicContact CB-CG2 4.11Å; I628-V633 HydrophobicContact CG2-CG2 3.75Å
629P85.6Confident84.2Confident15 Ų1554.1 Ų54.110%0.09728%0.284CS..  trans-54.2136.3174.3-2433.2000111.3F631 I632 V633 M708P629-F631 HydrophobicContact CB-CD1 3.63Å; P629-F631 HydrophobicContact CB-CE1 3.28Å; P629-F631 HydrophobicContact CB-CG 4.39Å; P629-F631 HydrophobicContact CB-CZ 3.8Å; P629-F631 HydrophobicContact CG-CE1 4.06Å; P629-F631 HydrophobicContact CG-CZ 4.21Å; P629-F631 PolarHBondContact O-N 2.67Å; P629-F631 VanDerWaalsContact O-N 3.11Å; P629-I632 HydrophobicContact CB-CG1 4.37Å; P629-I632 HydrophobicContact CG-CD1 4.21Å; P629-I632 WeakPolarHBondContact O-CB 3.48Å; P629-I632 PolarHBondContact O-N 2.99Å; P629-V633 PolarHBondContact O-N 3.34Å; P629-M708 HydrophobicContact CG-CG 4.49Å
630E85.8Confident84.5Confident84 Ų8450.2 Ų50.239%0.39327%0.268SS..Hα-helixtrans-55.6-37.5-173.4-66.8-172.6162.300112.2S535 I628 I632 V633 H634S535-E630 WeakPolarHBondContact CA-OE2 3.35Å; S535-E630 WeakPolarHBondContact CB-OE2 3.48Å; I628-E630 PolarHBondContact O-N 3.31Å; E630-I632 VanDerWaalsContact C-N 3.28Å; E630-I632 PolarHBondContact O-N 3.38Å; E630-V633 WeakPolarHBondContact O-CB 3.3Å; E630-V633 PolarHBondContact O-N 2.92Å; E630-V633 VanDerWaalsContact O-N 3.13Å; E630-H634 PolarHBondContact O-N 2.82Å; E630-H634 PolarHBondContact O-ND1 3.14Å; E630-H634 VanDerWaalsContact O-ND1 3.16Å
631F89.4Confident84.9Confident0 Ų049.8 Ų49.80%027%0.266CS..Hα-helixtrans-60.5-34.3177.770-100.7000113.3A524 D537 V538 P629 H634 L635 I648 V650 I714 F716A524-F631 HydrophobicContact CB-CB 4.07Å; A524-F631 WeakPolarHBondContact O-CA 3.4Å; D537-F631 HydrophobicContact CB-CD1 4.4Å; V538-F631 HydrophobicContact CG2-CB 4.11Å; P629-F631 HydrophobicContact CB-CD1 3.63Å; P629-F631 HydrophobicContact CB-CE1 3.28Å; P629-F631 HydrophobicContact CB-CG 4.39Å; P629-F631 HydrophobicContact CB-CZ 3.8Å; P629-F631 HydrophobicContact CG-CE1 4.06Å; P629-F631 HydrophobicContact CG-CZ 4.21Å; P629-F631 PolarHBondContact O-N 2.67Å; P629-F631 VanDerWaalsContact O-N 3.11Å; F631-H634 PolarHBondContact O-N 2.97Å; F631-L635 HydrophobicContact CD2-CD1 4.24Å; F631-L635 WeakPolarHBondContact O-CB 3.38Å; F631-L635 WeakPolarHBondContact O-CG 3.48Å; F631-L635 PolarHBondContact O-N 2.96Å; F631-I648 HydrophobicContact CE2-CG2 4.4Å; F631-V650 HydrophobicContact CE2-CG1 4.36Å; F631-V650 HydrophobicContact CZ-CG1 3.98Å; F631-I714 HydrophobicContact CE1-CG2 4.11Å; F631-I714 HydrophobicContact CZ-CG2 4.14Å; F631-F716 HydrophobicContact CB-CB 4.15Å; F631-F716 HydrophobicContact CB-CG 4.47Å; F631-F716 HydrophobicContact CD1-CB 3.95Å; F631-F716 HydrophobicContact CD2-CB 3.93Å; F631-F716 AromaticContact CD2-CD2 3.52Å; F631-F716 HydrophobicContact CD2-CD2 3.52Å; F631-F716 HydrophobicContact CD2-CE2 4.44Å; F631-F716 HydrophobicContact CD2-CG 4.05Å; F631-F716 HydrophobicContact CE1-CB 4.3Å; F631-F716 HydrophobicContact CE2-CB 4.29Å; F631-F716 AromaticContact CE2-CD2 3.82Å; F631-F716 HydrophobicContact CE2-CD2 3.82Å; F631-F716 HydrophobicContact CG-CB 3.76Å; F631-F716 HydrophobicContact CG-CD2 4.18Å; F631-F716 HydrophobicContact CG-CG 4.25Å; F631-F716 HydrophobicContact CZ-CB 4.48Å
632I89.9Confident85.2Confident0 Ų049.2 Ų49.20%026%0.263CS..Hα-helixtrans-68.5-43176.3-62.9-171.7000109.7I616 I628 P629 E630 H634 L635 M636 L641I616-I632 HydrophobicContact CD1-CD1 4.35Å; I616-I632 HydrophobicContact CD1-CG2 3.83Å; I628-I632 HydrophobicContact CG2-CB 3.62Å; I628-I632 HydrophobicContact CG2-CG2 3.69Å; P629-I632 HydrophobicContact CB-CG1 4.37Å; P629-I632 HydrophobicContact CG-CD1 4.21Å; P629-I632 WeakPolarHBondContact O-CB 3.48Å; P629-I632 PolarHBondContact O-N 2.99Å; E630-I632 VanDerWaalsContact C-N 3.28Å; E630-I632 PolarHBondContact O-N 3.38Å; I632-H634 VanDerWaalsContact C-N 3.33Å; I632-H634 PolarHBondContact O-N 3.4Å; I632-L635 PolarHBondContact O-N 3.38Å; I632-M636 HydrophobicContact CG2-CG 4.48Å; I632-M636 HydrophobicContact CG2-SD 4.27Å; I632-M636 WeakPolarHBondContact O-CB 3.35Å; I632-M636 WeakPolarHBondContact O-CG 3.32Å; I632-M636 PolarHBondContact O-N 2.68Å; I632-L641 HydrophobicContact CG2-CD1 3.98Å
633V88.6Confident85.8Confident64 Ų6443.2 Ų43.239%0.38824%0.235SC..Hα-helixtrans-60.5-45.3176.4-178.50000110.4I628 P629 E630 M636 N637I628-V633 HydrophobicContact CB-CG2 4.11Å; I628-V633 HydrophobicContact CG2-CG2 3.75Å; P629-V633 PolarHBondContact O-N 3.34Å; E630-V633 WeakPolarHBondContact O-CB 3.3Å; E630-V633 PolarHBondContact O-N 2.92Å; E630-V633 VanDerWaalsContact O-N 3.13Å; V633-M636 PolarHBondContact O-N 3.21Å; V633-N637 PolarHBondContact O-N 3.45Å; V633-N637 PolarHBondContact O-OD1 3.23Å
634H89.1Confident86.6Confident11 Ų1136.2 Ų36.25%0.05120%0.203CC..Hα-helixtrans-64.6-43178.1-58.9148.4000112.5V523 A524 N526 E630 F631 I632 M636 N637V523-H634 WeakPolarHBondContact O-CB 3.5Å; A524-H634 PolarHBondContact O-ND1 2.88Å; N526-H634 PolarHBondContact ND2-CD2 3.09Å; N526-H634 PolarHBondContact ND2-NE2 3.41Å; N526-H634 VanDerWaalsContact ND2-NE2 3.14Å; E630-H634 PolarHBondContact O-N 2.82Å; E630-H634 PolarHBondContact O-ND1 3.14Å; E630-H634 VanDerWaalsContact O-ND1 3.16Å; F631-H634 PolarHBondContact O-N 2.97Å; I632-H634 VanDerWaalsContact C-N 3.33Å; I632-H634 PolarHBondContact O-N 3.4Å; H634-M636 VanDerWaalsContact C-N 3.32Å; H634-M636 PolarHBondContact O-N 3.15Å; H634-N637 WeakPolarHBondContact O-CB 3.4Å; H634-N637 PolarHBondContact O-N 3.14Å
635L92Very high87.6Confident0 Ų036 Ų360%020%0.201CC..Hα-helixtrans-59.9-43174.3-73.6168.8000111.4I520 V523 A524 F631 I632 N637 V638 I639 L641 I648 F716 L719I520-L635 HydrophobicContact CD1-CD2 4.36Å; I520-L635 HydrophobicContact CG2-CD2 3.83Å; V523-L635 HydrophobicContact CB-CD2 4.3Å; V523-L635 HydrophobicContact CG1-CD2 3.96Å; A524-L635 HydrophobicContact CB-CD2 4.25Å; A524-L635 HydrophobicContact CB-CG 4.22Å; F631-L635 HydrophobicContact CD2-CD1 4.24Å; F631-L635 WeakPolarHBondContact O-CB 3.38Å; F631-L635 WeakPolarHBondContact O-CG 3.48Å; F631-L635 PolarHBondContact O-N 2.96Å; I632-L635 PolarHBondContact O-N 3.38Å; L635-N637 PolarHBondContact O-N 2.97Å; L635-V638 PolarHBondContact O-N 3.21Å; L635-I639 PolarHBondContact O-N 3.03Å; L635-L641 HydrophobicContact CB-CD1 4.08Å; L635-I648 HydrophobicContact CD1-CD1 4.3Å; L635-F716 HydrophobicContact CD1-CD2 4.29Å; L635-F716 HydrophobicContact CD1-CE2 3.77Å; L635-F716 HydrophobicContact CD1-CZ 4.42Å; L635-L719 HydrophobicContact CD1-CD1 4.44Å
636M90.8Very high88.8Confident63 Ų6332.2 Ų32.231%0.3118%0.175SC..Hα-helixtrans-61.5-23.4178.2-78.3-175.669.100114.5L621 I632 V633 H634 V638 I639 L641L621-M636 HydrophobicContact CD1-CE 3.55Å; L621-M636 HydrophobicContact CD1-SD 3.91Å; L621-M636 HydrophobicContact CD2-CE 4.14Å; L621-M636 HydrophobicContact CD2-SD 3.49Å; L621-M636 WeakPolarHBondContact CD2-SD 3.12Å; L621-M636 HydrophobicContact CG-CE 4.41Å; L621-M636 HydrophobicContact CG-SD 4.33Å; I632-M636 HydrophobicContact CG2-CG 4.48Å; I632-M636 HydrophobicContact CG2-SD 4.27Å; I632-M636 WeakPolarHBondContact O-CB 3.35Å; I632-M636 WeakPolarHBondContact O-CG 3.32Å; I632-M636 PolarHBondContact O-N 2.68Å; V633-M636 PolarHBondContact O-N 3.21Å; H634-M636 VanDerWaalsContact C-N 3.32Å; H634-M636 PolarHBondContact O-N 3.15Å; M636-V638 PolarHBondContact O-N 3.2Å; M636-I639 VanDerWaalsContact CA-O 3.29Å; M636-I639 WeakPolarHBondContact CA-O 3.42Å; M636-L641 HydrophobicContact CG-CB 4.24Å; M636-L641 HydrophobicContact CG-CD1 3.92Å; M636-L641 HydrophobicContact CG-CG 3.98Å
637N86.3Confident90Very high80 Ų8024.7 Ų24.743%0.42813%0.134SC..THydrogen-bonded Turntrans-71-18.3175.9-64.8-25.7000113.1V633 H634 L635V633-N637 PolarHBondContact O-N 3.45Å; V633-N637 PolarHBondContact O-OD1 3.23Å; H634-N637 WeakPolarHBondContact O-CB 3.4Å; H634-N637 PolarHBondContact O-N 3.14Å; L635-N637 PolarHBondContact O-N 2.97Å
638V87.2Confident90.8Very high7 Ų721.2 Ų21.24%0.04211%0.111CC..THydrogen-bonded Turntrans-118.2-37.4-177.3-178.60000111.4F519 V523 L635 M636 L758 E762F519-V638 HydrophobicContact CE1-CG1 4.5Å; F519-V638 HydrophobicContact CZ-CG1 3.86Å; V523-V638 HydrophobicContact CG1-CB 3.95Å; V523-V638 HydrophobicContact CG1-CG2 3.66Å; V523-V638 HydrophobicContact CG2-CG1 4.43Å; V523-V638 HydrophobicContact CG2-CG2 4.22Å; L635-V638 PolarHBondContact O-N 3.21Å; M636-V638 PolarHBondContact O-N 3.2Å; V638-L758 WeakPolarHBondContact O-CD2 3.49Å; V638-E762 HydrophobicContact CG1-CB 3.76Å; V638-E762 HydrophobicContact CG1-CG 4.16Å
639I90.5Very high91.3Very high0 Ų020 Ų200%011%0.105CC..SBendtrans-126.6117.8-176.9-53.9177.5000108.1I520 L635 M636 L641 V644 L759I520-I639 HydrophobicContact CD1-CD1 3.36Å; L635-I639 PolarHBondContact O-N 3.03Å; M636-I639 VanDerWaalsContact CA-O 3.29Å; M636-I639 WeakPolarHBondContact CA-O 3.42Å; I639-L641 HydrophobicContact CB-CD2 4.4Å; I639-L641 HydrophobicContact CG2-CD2 4.15Å; I639-L641 PolarHBondContact O-N 2.71Å; I639-V644 HydrophobicContact CG2-CG1 3.86Å; I639-V644 HydrophobicContact CG2-CG2 4.43Å; I639-L759 HydrophobicContact CD1-CD1 3.53Å; I639-L759 HydrophobicContact CD1-CD2 4.38Å; I639-L759 HydrophobicContact CD1-CG 4.5Å; I639-L759 HydrophobicContact CG1-CD1 3.72Å
640N91.9Very high91.7Very high55 Ų5519.2 Ų19.229%0.29410%0.1SC..  trans-71.195.6174.1-166.9-25000110.5T642 Y643 T755N640-T642 PolarHBondContact O-N 2.87Å; N640-T642 WeakPolarHBondContact OD1-CB 3.26Å; N640-T642 PolarHBondContact OD1-N 2.76Å; N640-T642 PolarHBondContact OD1-OG1 2.72Å; N640-Y643 HydrophobicContact CB-CD2 4.33Å; N640-Y643 WeakPolarHBondContact ND2-CD2 3.32Å; N640-Y643 PolarHBondContact O-N 2.9Å; N640-T755 HydrophobicContact CB-CG2 3.86Å
641L93.7Very high91.9Very high0 Ų015.4 Ų15.40%08%0.082CC..THydrogen-bonded Turntrans-61.8-6.4-177.4-61.2-177.8000114.4L614 P615 I616 I632 L635 M636 I639 V644 I648 L719L614-L641 HydrophobicContact CD1-CD2 4.33Å; L614-L641 HydrophobicContact CD2-CB 4.38Å; L614-L641 HydrophobicContact CD2-CD2 4.4Å; P615-L641 CarbonylContact C-O 3.54Å; P615-L641 VanDerWaalsContact CA-O 3.28Å; P615-L641 WeakPolarHBondContact CA-O 3.47Å; I616-L641 HydrophobicContact CD1-CB 4.01Å; I616-L641 HydrophobicContact CD1-CD1 3.66Å; I616-L641 HydrophobicContact CD1-CG 4.5Å; I616-L641 HydrophobicContact CG1-CB 4.21Å; I616-L641 PolarHBondContact N-O 3.22Å; I632-L641 HydrophobicContact CG2-CD1 3.98Å; L635-L641 HydrophobicContact CB-CD1 4.08Å; M636-L641 HydrophobicContact CG-CB 4.24Å; M636-L641 HydrophobicContact CG-CD1 3.92Å; M636-L641 HydrophobicContact CG-CG 3.98Å; I639-L641 HydrophobicContact CB-CD2 4.4Å; I639-L641 HydrophobicContact CG2-CD2 4.15Å; I639-L641 PolarHBondContact O-N 2.71Å; L641-V644 HydrophobicContact CD2-CG2 4.29Å; L641-I648 HydrophobicContact CD1-CD1 4.29Å; L641-L719 HydrophobicContact CD2-CD1 3.92Å
642T93.6Very high92Very high7 Ų715.4 Ų15.44%0.0438%0.082CC..THydrogen-bonded Turntrans-88.1-16.4174.569.70000113.5P615 I616 K618 L621 N640P615-T642 WeakPolarHBondContact CB-O 3.47Å; I616-T642 WeakPolarHBondContact O-CG2 3.3Å; K618-T642 HydrophobicContact CG-CG2 4.08Å; L621-T642 HydrophobicContact CD1-CG2 3.51Å; N640-T642 PolarHBondContact O-N 2.87Å; N640-T642 WeakPolarHBondContact OD1-CB 3.26Å; N640-T642 PolarHBondContact OD1-N 2.76Å; N640-T642 PolarHBondContact OD1-OG1 2.72Å
643Y94.2Very high91.8Very high18 Ų1815.9 Ų15.97%0.0719%0.085CC..SBendtrans-12232.1-178.4-61.2-77.5000112.7K618 N640 L743 N748 H751 L752K618-Y643 PolarHBondContact NZ-OH 2.89Å; N640-Y643 HydrophobicContact CB-CD2 4.33Å; N640-Y643 WeakPolarHBondContact ND2-CD2 3.32Å; N640-Y643 PolarHBondContact O-N 2.9Å; Y643-L743 HydrophobicContact CD1-CD1 3.57Å; Y643-L743 HydrophobicContact CE1-CD1 4.47Å; Y643-L743 HydrophobicContact CG-CD1 4.31Å; Y643-N748 HydrophobicContact CD1-CB 4.44Å; Y643-N748 HydrophobicContact CE1-CB 4.11Å; Y643-H751 HydrophobicContact CD1-CB 3.65Å; Y643-H751 HydrophobicContact CD2-CB 3.97Å; Y643-H751 HydrophobicContact CE1-CB 3.47Å; Y643-H751 VanDerWaalsContact CE1-CB 3.47Å; Y643-H751 HydrophobicContact CE2-CB 3.78Å; Y643-H751 HydrophobicContact CG-CB 3.92Å; Y643-H751 AromaticContact CZ-CD2 3.93Å; Y643-H751 AromaticContact CZ-CG 3.72Å; Y643-L752 WeakPolarHBondContact O-CD1 3.33Å
644V94.2Very high91.1Very high8 Ų815.1 Ų15.15%0.0488%0.078CC..  trans-133.3151.4174.6-62.90000110L614 P615 I639 L641 L721 T755L614-V644 HydrophobicContact CB-CG2 4.47Å; L614-V644 HydrophobicContact CD1-CG2 4.11Å; P615-V644 WeakPolarHBondContact CA-O 3.49Å; P615-V644 WeakPolarHBondContact CB-O 3.38Å; P615-V644 WeakPolarHBondContact CD-O 3.25Å; I639-V644 HydrophobicContact CG2-CG1 3.86Å; I639-V644 HydrophobicContact CG2-CG2 4.43Å; L641-V644 HydrophobicContact CD2-CG2 4.29Å; V644-L721 HydrophobicContact CB-CD2 4.16Å; V644-L721 HydrophobicContact CG2-CD2 4.46Å; V644-T755 HydrophobicContact CG1-CG2 3.73Å
645S93.9Very high89.9Confident1 Ų117.8 Ų17.81%0.0079%0.093CC..  trans-106.8139.5171.461.90000110.1L504 L721 G722L504-S645 VanDerWaalsContact C-OG 3.26Å; L504-S645 WeakPolarHBondContact CB-OG 3.21Å; L504-S645 PolarHBondContact O-OG 3.22Å; S645-L721 CarbonylContact O-C 3.56Å; S645-L721 WeakPolarHBondContact O-CA 3.37Å; S645-G722 PolarHBondContact O-N 3.35Å
646G95.1Very high88Confident0 Ų026.8 Ų26.80%013%0.132CC..EExtended strand (participates in β ladder)trans157.9-156.4-176.200000112.5L614 R720 G722 V734L614-G646 WeakPolarHBondContact CB-O 3.43Å; L614-G646 PolarHBondContact N-O 3.25Å; G646-R720 CarbonylContact C-O 3.59Å; G646-R720 WeakPolarHBondContact CA-O 3.49Å; G646-G722 WeakPolarHBondContact CA-O 3.47Å; G646-V734 VanDerWaalsContact O-CG2 3.31Å; G646-V734 WeakPolarHBondContact O-CG2 3.29Å
647Y95.5Very high85.9Confident5 Ų528.8 Ų28.82%0.0215%0.151CC..EExtended strand (participates in β ladder)trans-154.415117555-82.9000111.2I486 Y611 I612 I649 R720 P724 F726 L730I486-Y647 HydrophobicContact CG2-CE1 3.83Å; Y611-Y647 AromaticContact CD1-CD2 3.72Å; Y611-Y647 HydrophobicContact CD1-CD2 3.72Å; Y611-Y647 HydrophobicContact CD1-CE2 4.03Å; Y611-Y647 HydrophobicContact CE1-CD2 4.35Å; Y611-Y647 HydrophobicContact CE1-CE2 4.2Å; I612-Y647 CarbonylContact O-C 3.47Å; I612-Y647 WeakPolarHBondContact O-CA 3.49Å; Y647-I649 HydrophobicContact CD2-CD1 4.47Å; Y647-I649 HydrophobicContact CD2-CG1 3.94Å; Y647-I649 HydrophobicContact CE2-CD1 3.95Å; Y647-I649 HydrophobicContact CE2-CG1 3.92Å; Y647-R720 HydrophobicContact CD1-CB 4.36Å; Y647-R720 HydrophobicContact CD2-CB 4.38Å; Y647-R720 HydrophobicContact CE1-CB 3.83Å; Y647-R720 HydrophobicContact CE2-CB 3.91Å; Y647-R720 HydrophobicContact CE2-CG 3.98Å; Y647-R720 PolarHBondContact N-O 3.33Å; Y647-R720 PolarHBondContact O-N 3.43Å; Y647-P724 HydrophobicContact CD1-CB 3.93Å; Y647-P724 HydrophobicContact CD1-CG 3.9Å; Y647-P724 HydrophobicContact CE1-CB 3.63Å; Y647-P724 HydrophobicContact CE1-CG 4.13Å; Y647-F726 HydrophobicContact CE1-CE1 4.17Å; Y647-F726 HydrophobicContact CE1-CZ 4.39Å; Y647-F726 HydrophobicContact CE2-CZ 4.34Å; Y647-F726 AromaticContact CZ-CE1 3.9Å; Y647-F726 AromaticContact CZ-CZ 3.85Å; Y647-F726 WeakPolarHBondContact OH-CE1 3.49Å; Y647-L730 HydrophobicContact CD1-CD2 3.96Å; Y647-L730 HydrophobicContact CD2-CD2 4.1Å; Y647-L730 HydrophobicContact CE1-CD2 4.41Å; Y647-L730 HydrophobicContact CE2-CD2 4.48Å; Y647-L730 HydrophobicContact CG-CD2 3.8Å
648I95.6Very high83.8Confident0 Ų026.3 Ų26.30%014%0.137CC..EExtended strand (participates in β ladder)trans-101.9133.2171.8-57.2173.3000108.3Y611 I612 L614 F631 L635 L641 V650 F716 L719Y611-I648 CarbonylContact C-O 3.58Å; Y611-I648 WeakPolarHBondContact CA-O 3.47Å; I612-I648 HydrophobicContact CB-CB 4.2Å; I612-I648 PolarHBondContact N-O 3.31Å; I612-I648 PolarHBondContact O-N 3.35Å; L614-I648 HydrophobicContact CD1-CG1 4.17Å; L614-I648 HydrophobicContact CD2-CD1 4.07Å; L614-I648 HydrophobicContact CD2-CG1 4.21Å; L614-I648 HydrophobicContact CG-CG1 4.37Å; F631-I648 HydrophobicContact CE2-CG2 4.4Å; L635-I648 HydrophobicContact CD1-CD1 4.3Å; L641-I648 HydrophobicContact CD1-CD1 4.29Å; I648-V650 HydrophobicContact CG2-CG1 3.85Å; I648-F716 HydrophobicContact CG2-CD2 3.58Å; I648-F716 HydrophobicContact CG2-CE2 3.46Å; I648-F716 VanDerWaalsContact CG2-CE2 3.46Å; I648-L719 HydrophobicContact CD1-CD1 4.44Å; I648-L719 HydrophobicContact CG1-CD1 3.99Å; I648-L719 HydrophobicContact CG1-CG 4.28Å
649I94.6Very high81.5Confident1 Ų130.2 Ų30.21%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-97.2126.1175-44.3-174.5000108.5W564 Y611 Y647 I717 T718W564-I649 HydrophobicContact CH2-CD1 3.64Å; W564-I649 HydrophobicContact CH2-CG2 4.03Å; W564-I649 HydrophobicContact CZ3-CD1 3.93Å; Y611-I649 HydrophobicContact CD1-CG1 4.04Å; Y611-I649 HydrophobicContact CD1-CG2 4.4Å; Y611-I649 HydrophobicContact CE1-CD1 4.16Å; Y611-I649 HydrophobicContact CE1-CG1 4.1Å; Y611-I649 HydrophobicContact CE1-CG2 4.22Å; Y647-I649 HydrophobicContact CD2-CD1 4.47Å; Y647-I649 HydrophobicContact CD2-CG1 3.94Å; Y647-I649 HydrophobicContact CE2-CD1 3.95Å; Y647-I649 HydrophobicContact CE2-CG1 3.92Å; I649-I717 HydrophobicContact CB-CB 4.33Å; I649-I717 HydrophobicContact CG2-CB 4.42Å; I649-I717 HydrophobicContact CG2-CD1 4.01Å; I649-I717 WeakPolarHBondContact O-CB 3.48Å; I649-I717 PolarHBondContact O-N 3.41Å; I649-T718 HydrophobicContact CB-CG2 4.17Å; I649-T718 HydrophobicContact CD1-CG2 3.66Å; I649-T718 HydrophobicContact CG1-CG2 3.93Å; I649-T718 PolarHBondContact N-O 2.68Å; I649-T718 PolarHBondContact O-N 2.88Å
650V93.9Very high79Confident0 Ų035.1 Ų35.10%018%0.181CC..EExtended strand (participates in β ladder)trans-132.1157.3-179.7-58.80000111.7Q609 R610 I612 F631 I648 A652 L699 I714 Y715Q609-V650 CarbonylContact C-O 3.55Å; Q609-V650 WeakPolarHBondContact CA-O 3.25Å; R610-V650 HydrophobicContact CB-CG2 4.29Å; R610-V650 PolarHBondContact N-O 3.4Å; R610-V650 PolarHBondContact O-N 3.22Å; I612-V650 HydrophobicContact CD1-CG1 3.84Å; I612-V650 HydrophobicContact CD1-CG2 4.24Å; I612-V650 HydrophobicContact CG1-CG2 4.3Å; F631-V650 HydrophobicContact CE2-CG1 4.36Å; F631-V650 HydrophobicContact CZ-CG1 3.98Å; I648-V650 HydrophobicContact CG2-CG1 3.85Å; V650-A652 HydrophobicContact CG2-CB 4.12Å; V650-L699 HydrophobicContact CG2-CD2 4.42Å; V650-I714 HydrophobicContact CB-CG2 3.77Å; V650-I714 HydrophobicContact CG1-CG2 4Å; V650-I714 HydrophobicContact CG2-CG2 3.96Å; V650-Y715 CarbonylContact C-O 3.59Å; V650-Y715 WeakPolarHBondContact CA-O 3.43Å; V650-Y715 WeakPolarHBondContact CB-O 3.1Å
651L90.6Very high76.7Confident3 Ų338 Ų382%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-89.8120.1157.2-69.7-179000109L539 I598 F603 L607 S608 Q609 I714 Y715 I717L539-L651 HydrophobicContact CD1-CD1 3.81Å; L539-L651 HydrophobicContact CD1-CG 4.36Å; I598-L651 WeakPolarHBondContact O-CD1 3.44Å; I598-L651 WeakPolarHBondContact O-CD2 3.42Å; F603-L651 HydrophobicContact CD2-CD1 4.23Å; F603-L651 HydrophobicContact CE2-CD1 3.7Å; L607-L651 HydrophobicContact CB-CB 4.21Å; L607-L651 HydrophobicContact CD1-CB 4.41Å; S608-L651 WeakPolarHBondContact O-CA 3.21Å; Q609-L651 HydrophobicContact CG-CD2 3.86Å; L651-I714 WeakPolarHBondContact O-CA 3.35Å; L651-Y715 HydrophobicContact CB-CD2 4.49Å; L651-Y715 PolarHBondContact N-O 3.18Å; L651-Y715 PolarHBondContact O-N 3.3Å; L651-I717 HydrophobicContact CD2-CD1 4.26Å; L651-I717 HydrophobicContact CG-CD1 4.05Å; L651-I717 HydrophobicContact CG-CG1 4.49Å
652A89.9Confident74.2Confident0 Ų040.7 Ų40.70%021%0.207CC..EExtended strand (participates in β ladder)trans-138.6151.6179.100000110.8S608 R610 V650 L699S608-A652 PolarHBondContact N-O 3.46Å; S608-A652 PolarHBondContact O-N 3.04Å; S608-A652 PolarHBondContact OG-O 3.39Å; R610-A652 HydrophobicContact CB-CB 4.46Å; R610-A652 HydrophobicContact CG-CB 4.45Å; V650-A652 HydrophobicContact CG2-CB 4.12Å; A652-L699 HydrophobicContact CB-CD2 4.26Å
653P85.8Confident71.6Confident11 Ų1144.7 Ų44.77%0.07123%0.227CC..EExtended strand (participates in β ladder)trans-65.5143.2178.126.2-33.5000111L607 I707 K712L607-P653 HydrophobicContact CD2-CB 4.09Å; L607-P653 HydrophobicContact CD2-CG 4.42Å; P653-I707 HydrophobicContact CG-CD1 4.3Å; P653-I707 HydrophobicContact CG-CG2 3.87Å; P653-K712 HydrophobicContact CB-CD 4.29Å; P653-K712 HydrophobicContact CG-CB 4.04Å; P653-K712 HydrophobicContact CG-CD 3.74Å
654M74.7Confident68.9Low47 Ų4749 Ų4923%0.23225%0.252CS..PPolyproline II helixtrans-89.7146173.8-117-167.9157.500111.2E658M654-E658 HydrophobicContact CE-CB 3.86Å; M654-E658 WeakPolarHBondContact CG-OE2 3.47Å; M654-E658 HydrophobicContact SD-CB 4.24Å
655N64.4Low66.3Low68 Ų6854.3 Ų54.336%0.36427%0.274SS..PPolyproline II helixtrans-74.1136.3174.6-84.6-41.5000110.1C657 E658 E703N655-C657 PolarHBondContact O-N 3.34Å; N655-E658 HydrophobicContact CB-CG 4.47Å; N655-E658 PolarHBondContact N-OE2 3.39Å; N655-E658 WeakPolarHBondContact O-CB 3.25Å; N655-E658 PolarHBondContact O-N 3.47Å; N655-E703 PolarHBondContact ND2-OE1 3.27Å
656K52.3Low63.7Low189 Ų18959.3 Ų59.382%0.82230%0.3SS*.Hα-helixtrans-54.7-27.2-175.9-71.5-174.7177.7-178.80114.2E658K656-E658 PolarHBondContact O-N 3.08Å
657C45.5Very low61.1Low105 Ų10561.6 Ų61.671%0.70932%0.319SS*.Hα-helixtrans-66.2-15.3175.6-78.40000114.3N655N655-C657 PolarHBondContact O-N 3.34Å
658E43.4Very low58.6Low27 Ų2764.6 Ų64.613%0.12634%0.341CS..Hα-helixtrans-91.7-38.7-175.4-59.7-178.513900111.6M654 N655 K656 D660 Q661 D662M654-E658 HydrophobicContact CE-CB 3.86Å; M654-E658 WeakPolarHBondContact CG-OE2 3.47Å; M654-E658 HydrophobicContact SD-CB 4.24Å; N655-E658 HydrophobicContact CB-CG 4.47Å; N655-E658 PolarHBondContact N-OE2 3.39Å; N655-E658 WeakPolarHBondContact O-CB 3.25Å; N655-E658 PolarHBondContact O-N 3.47Å; K656-E658 PolarHBondContact O-N 3.08Å; E658-D660 VanDerWaalsContact C-N 3.32Å; E658-D660 PolarHBondContact O-N 2.95Å; E658-Q661 PolarHBondContact O-N 3.18Å; E658-D662 PolarHBondContact O-N 2.98Å
659H38.6Very low56Low90 Ų9070.9 Ų70.942%0.41737%0.37SS..Hα-helixtrans-65.7-34.9-178.5-147.3-37.9000112.6L663H659-L663 VanDerWaalsContact ND1-CD1 3.28Å; H659-L663 WeakPolarHBondContact ND1-CD1 3.37Å; H659-L663 WeakPolarHBondContact O-CB 3.3Å; H659-L663 PolarHBondContact O-N 3.21Å
660D37.3Very low53.2Low103 Ų10376.5 Ų76.555%0.55140%0.4SS*.Hα-helixtrans-72.8-28.2177.9-79.3-19.4000112.7E658 N664E658-D660 VanDerWaalsContact C-N 3.32Å; E658-D660 PolarHBondContact O-N 2.95Å; D660-N664 WeakPolarHBondContact O-CB 3.31Å; D660-N664 PolarHBondContact O-N 3.44Å; D660-N664 VanDerWaalsContact O-N 3.09Å; D660-N664 PolarHBondContact O-ND2 2.86Å
661Q43.8Very low50.5Low114 Ų11484.4 Ų84.453%0.53344%0.437SS..Hα-helixtrans-76.7-35.8177.2-70.7-172.4300112E658 K665E658-Q661 PolarHBondContact O-N 3.18Å; Q661-K665 WeakPolarHBondContact O-CG 3.49Å; Q661-K665 PolarHBondContact O-N 2.99Å
662D40.7Very low48Very low57 Ų5791.4 Ų91.431%0.30548%0.475SS..Hα-helixtrans-74.6-41.7177.5-74.8-13.1000111.5E658 K665 L666E658-D662 PolarHBondContact O-N 2.98Å; D662-K665 PolarHBondContact O-N 3.42Å; D662-L666 WeakPolarHBondContact O-CB 3.26Å; D662-L666 WeakPolarHBondContact O-CG 3.49Å; D662-L666 PolarHBondContact O-N 3.12Å
663L39.5Very low45.4Very low92 Ų9297.4 Ų97.448%0.48251%0.505SS..Hα-helixtrans-64.1-41.4173.6-90.9155.1000112.3H659 K665 A667H659-L663 VanDerWaalsContact ND1-CD1 3.28Å; H659-L663 WeakPolarHBondContact ND1-CD1 3.37Å; H659-L663 WeakPolarHBondContact O-CB 3.3Å; H659-L663 PolarHBondContact O-N 3.21Å; L663-K665 VanDerWaalsContact C-N 3.33Å; L663-K665 PolarHBondContact O-N 3.06Å; L663-A667 WeakPolarHBondContact O-CB 3.23Å; L663-A667 PolarHBondContact O-N 3.37Å
664N36.9Very low42.7Very low109 Ų109104.4 Ų104.458%0.58354%0.541SS*.Hα-helixtrans-70.3-29-179.7-75.8-38.4000112.8D660 S668D660-N664 WeakPolarHBondContact O-CB 3.31Å; D660-N664 PolarHBondContact O-N 3.44Å; D660-N664 VanDerWaalsContact O-N 3.09Å; D660-N664 PolarHBondContact O-ND2 2.86Å; N664-S668 WeakPolarHBondContact O-CB 3.48Å; N664-S668 PolarHBondContact O-N 2.91Å; N664-S668 VanDerWaalsContact O-N 3.11Å; N664-S668 PolarHBondContact O-OG 3.27Å; N664-S668 VanDerWaalsContact O-OG 3.1Å
665K41.2Very low40.6Very low119 Ų119110 Ų11052%0.51757%0.571SS.*Hα-helixtrans-75-45.4173.7-79.6-179.1177.5176.30112.4Q661 D662 L663 A667 S668 E669Q661-K665 WeakPolarHBondContact O-CG 3.49Å; Q661-K665 PolarHBondContact O-N 2.99Å; D662-K665 PolarHBondContact O-N 3.42Å; L663-K665 VanDerWaalsContact C-N 3.33Å; L663-K665 PolarHBondContact O-N 3.06Å; K665-A667 VanDerWaalsContact C-N 3.33Å; K665-A667 PolarHBondContact O-N 3.32Å; K665-S668 WeakPolarHBondContact CA-OG 3.17Å; K665-S668 PolarHBondContact O-N 3.3Å; K665-S668 PolarHBondContact O-OG 3.01Å; K665-E669 PolarHBondContact O-N 2.9Å
666L39.2Very low38.9Very low105 Ų105112.3 Ų112.355%0.5559%0.588SS.*Hα-helixtrans-62.4-41.3175.4-72.7164.7000111.4D662 S668 E669 D670D662-L666 WeakPolarHBondContact O-CB 3.26Å; D662-L666 WeakPolarHBondContact O-CG 3.49Å; D662-L666 PolarHBondContact O-N 3.12Å; L666-S668 VanDerWaalsContact C-N 3.34Å; L666-S668 PolarHBondContact O-N 3.39Å; L666-E669 PolarHBondContact O-N 3.22Å; L666-D670 WeakPolarHBondContact O-CB 3.42Å; L666-D670 PolarHBondContact O-N 3.45Å
667A40.3Very low37.8Very low48 Ų48108.4 Ų108.440%0.39759%0.585SS.*Hα-helixtrans-68.6-30.2176.500000113.3L663 K665 Q671L663-A667 WeakPolarHBondContact O-CB 3.23Å; L663-A667 PolarHBondContact O-N 3.37Å; K665-A667 VanDerWaalsContact C-N 3.33Å; K665-A667 PolarHBondContact O-N 3.32Å; A667-Q671 PolarHBondContact O-N 2.9Å
668S43.2Very low36.9Very low68 Ų68109.8 Ų109.848%0.47659%0.59SS.*Hα-helixtrans-74.3-31174.159.50000113.1N664 K665 L666N664-S668 WeakPolarHBondContact O-CB 3.48Å; N664-S668 PolarHBondContact O-N 2.91Å; N664-S668 VanDerWaalsContact O-N 3.11Å; N664-S668 PolarHBondContact O-OG 3.27Å; N664-S668 VanDerWaalsContact O-OG 3.1Å; K665-S668 WeakPolarHBondContact CA-OG 3.17Å; K665-S668 PolarHBondContact O-N 3.3Å; K665-S668 PolarHBondContact O-OG 3.01Å; L666-S668 VanDerWaalsContact C-N 3.34Å; L666-S668 PolarHBondContact O-N 3.39Å
669E40.4Very low36.2Very low133 Ų133115.8 Ų115.862%0.62162%0.623SS**Hα-helixtrans-78.7-32176.6-71.7178.4179.300111.9K665 L666K665-E669 PolarHBondContact O-N 2.9Å; L666-E669 PolarHBondContact O-N 3.22Å
670D35.8Very low35.6Very low118 Ų118117.1 Ų117.163%0.63164%0.642SS**Hα-helixtrans-75.6-24.2178.6-82.6-24.2000114L666L666-D670 WeakPolarHBondContact O-CB 3.42Å; L666-D670 PolarHBondContact O-N 3.45Å
671Q36.3Very low35.2Very low166 Ų166120.1 Ų120.178%0.77666%0.657SS**Hα-helixtrans-75.2-22.2-179.8-79.3-169-6.300114.2A667A667-Q671 PolarHBondContact O-N 2.9Å
672D38.1Very low34.4Very low151 Ų151122.6 Ų122.681%0.80767%0.673SS**THydrogen-bonded Turntrans-89.2-6.4-179.8-82.2-19.3000113.9
673I36.4Very low33.7Very low125 Ų125128.9 Ų128.964%0.64170%0.7SS**THydrogen-bonded Turntrans-108.8-8-174.9-54.9177.4000113.1L675I673-L675 PolarHBondContact O-N 3.37Å
674L29.3Very low33Very low159 Ų159136.1 Ų136.183%0.83272%0.721SS**THydrogen-bonded Turntrans-78.944.4179.7-15783.6000113.7
675L30.5Very low32.5Very low163 Ų163139 Ų13985%0.85374%0.736SS**THydrogen-bonded Turntrans-146.127173.3-96.1173000114.4I673I673-L675 PolarHBondContact O-N 3.37Å
676T28.2Very low31.8Very low117 Ų117141.6 Ų141.672%0.71875%0.75SS**SBendtrans-152124.9163.942.60000113.5
677S29.3Very low31.3Very low108 Ų108144.4 Ų144.476%0.75576%0.761SS**  trans63.993.8152.7440000118.6D679S677-D679 PolarHBondContact O-N 3.38Å
678T27.2Very low30.8Very low133 Ų133149.8 Ų149.882%0.81678%0.775SS**  trans-52.2110.1142420000109.6
679D27.6Very low30.4Very low153 Ų153149.5 Ų149.582%0.81877%0.773SS**  trans166.686.7146.3-84.7-18.8000109.5S677S677-D679 PolarHBondContact O-N 3.38Å
680S26.6Very low30.4Very low118 Ų118144.6 Ų144.683%0.82575%0.75SS**  trans173.653157.436.50000111L682S680-L682 PolarHBondContact O-N 3.26Å
681I29.2Very low30.9Very low166 Ų166142.1 Ų142.185%0.85173%0.732SS**THydrogen-bonded Turntrans-74.6103.1160.4-60.9169.5000104.9
682L27.1Very low30.8Very low167 Ų167140.4 Ų140.487%0.87473%0.729SS**THydrogen-bonded Turntrans170.719.4150.9-90.4168.5000116.5S680S680-L682 PolarHBondContact O-N 3.26Å
683Q25.1Very low30.8Very low188 Ų188136 Ų13688%0.87971%0.709SS**SBendtrans-140.528176.7-77-168.4-900117.2
684R25.4Very low31.1Very low245 Ų245133.1 Ų133.193%0.92570%0.699SS**  trans-102.40.9179.3-91-174.9-174.6161.61.7117.9
685D26.9Very low31.9Very low168 Ų168135.5 Ų135.590%0.89870%0.697SS**  trans-10534.1-176.8-73.2-22000115
686Q25.9Very low33Very low174 Ų174132.2 Ų132.281%0.81368%0.676SS**SBendtrans-104.7114.8174-69.8-170.61.900112.2
687Q29.5Very low35.5Very low164 Ų164126.9 Ų126.977%0.76664%0.644SS**  trans59.478.3152.2-59.6-179.8-11.800116S689Q687-S689 PolarHBondContact O-N 2.93Å
688K29.3Very low38.4Very low162 Ų162122.4 Ų122.470%0.70461%0.612SS**  trans-6782.5150.9-70.2-177.1-179.2-179.60107.8
689S33.6Very low41.4Very low62 Ų62116 Ų11643%0.43457%0.573SS.*  trans-58160.4171.1-173.10000109.9Q687 Y691 N692Q687-S689 PolarHBondContact O-N 2.93Å; S689-Y691 PolarHBondContact O-N 3.4Å; S689-Y691 VanDerWaalsContact OG-CD2 3.28Å; S689-Y691 WeakPolarHBondContact OG-CD2 3.22Å; S689-N692 PolarHBondContact O-N 2.92Å
690E42.2Very low44.2Very low30 Ų30112 Ų11214%0.1455%0.554CS.*THydrogen-bonded Turntrans-47.1-15.5179.2-160.3173.2-17900113.8W564W564-E690 HydrophobicContact CZ2-CG 4.39Å
691Y46.2Very low47.1Very low65 Ų65108.1 Ų108.126%0.25552%0.523SS..THydrogen-bonded Turntrans-104.2-3.2-166.7-51.9-69000116.3P487 S689 C693 F726P487-Y691 HydrophobicContact CG-CE1 4.06Å; P487-Y691 WeakPolarHBondContact CG-OH 3.38Å; S689-Y691 PolarHBondContact O-N 3.4Å; S689-Y691 VanDerWaalsContact OG-CD2 3.28Å; S689-Y691 WeakPolarHBondContact OG-CD2 3.22Å; Y691-C693 PolarHBondContact O-N 3.2Å; Y691-F726 HydrophobicContact CD1-CB 3.94Å; Y691-F726 AromaticContact CD1-CD2 3.78Å; Y691-F726 HydrophobicContact CD1-CD2 3.78Å; Y691-F726 HydrophobicContact CD1-CE2 4.49Å; Y691-F726 AromaticContact CD1-CG 3.9Å; Y691-F726 HydrophobicContact CD1-CG 3.9Å; Y691-F726 HydrophobicContact CE1-CB 4.19Å; Y691-F726 HydrophobicContact CE1-CD1 4.36Å; Y691-F726 HydrophobicContact CE1-CD2 4.16Å; Y691-F726 AromaticContact CE1-CG 3.98Å; Y691-F726 HydrophobicContact CE1-CG 3.98Å
692N33.1Very low49.8Very low131 Ų131106.2 Ų106.270%0.70151%0.514SS*.  trans-94.684170.8-90.4-11.6000110.1S689S689-N692 PolarHBondContact O-N 2.92Å
693C39Very low52.7Low59 Ų5999.8 Ų99.840%0.39948%0.479SS..  trans-139.5141172.1-161.60000113Y691Y691-C693 PolarHBondContact O-N 3.2Å
694C41.9Very low55.6Low64 Ų6490.9 Ų90.943%0.43244%0.438SS..  trans-41.9145.8-174.3-66.60000114.4K696 A697C694-K696 PolarHBondContact O-N 2.95Å; C694-A697 PolarHBondContact O-N 3.48Å
695R47Very low58.5Low208 Ų20880.9 Ų80.979%0.78540%0.403SS*.THydrogen-bonded Turntrans-54.6-2.8-177.6-86-179.2175.2154.9-0.7116.1
696K51.9Low61.3Low95 Ų9576.2 Ų76.241%0.41338%0.38SS..THydrogen-bonded Turntrans-13743.8-177.5-72.1-172.6174.9178.40114.4C694 V698C694-K696 PolarHBondContact O-N 2.95Å; K696-V698 VanDerWaalsContact C-N 3.35Å
697A81.6Confident64.1Low4 Ų468.1 Ų68.13%0.03334%0.342CS..  trans-80.6-9.4178.100000114.1R610 Y611 C694 L699R610-A697 CarbonylContact C-O 3.47Å; R610-A697 WeakPolarHBondContact CA-O 3.04Å; R610-A697 WeakPolarHBondContact CB-O 3.44Å; Y611-A697 HydrophobicContact CD2-CB 3.57Å; Y611-A697 HydrophobicContact CE2-CB 3.55Å; Y611-A697 PolarHBondContact N-O 2.78Å; C694-A697 PolarHBondContact O-N 3.48Å; A697-L699 PolarHBondContact O-N 2.91Å
698V89.5Confident66.6Low14 Ų1461.2 Ų61.29%0.08531%0.31CS..BIsolated β-bridgetrans-76.9126.6-177.1-172.10000110.5R610 Y611 P613 K696 V700 E729 L730 A733R610-V698 PolarHBondContact NH2-O 2.93Å; Y611-V698 WeakPolarHBondContact O-CA 3.38Å; P613-V698 HydrophobicContact CG-CG1 4.19Å; K696-V698 VanDerWaalsContact C-N 3.35Å; V698-V700 HydrophobicContact CG1-CG1 4.46Å; V698-E729 HydrophobicContact CG2-CB 3.81Å; V698-L730 HydrophobicContact CG1-CD1 4.31Å; V698-L730 HydrophobicContact CG2-CB 3.89Å; V698-L730 HydrophobicContact CG2-CD1 4.2Å; V698-A733 HydrophobicContact CG1-CB 3.98Å
699L90.1Very high69.2Low0 Ų060.5 Ų60.50%031%0.307CS..  trans-101.196.1176.6-174.566.7000109.2R610 Y611 I612 P613 V650 A652 A697 E703 L704 I707R610-L699 HydrophobicContact CB-CB 4.28Å; Y611-L699 PolarHBondContact O-N 3Å; I612-L699 HydrophobicContact CD1-CD2 4.42Å; I612-L699 HydrophobicContact CG1-CB 4.27Å; I612-L699 HydrophobicContact CG1-CD2 4.07Å; P613-L699 WeakPolarHBondContact CD-O 3.3Å; V650-L699 HydrophobicContact CG2-CD2 4.42Å; A652-L699 HydrophobicContact CB-CD2 4.26Å; A697-L699 PolarHBondContact O-N 2.91Å; L699-E703 HydrophobicContact CD1-CB 3.96Å; L699-E703 HydrophobicContact CD1-CG 3.72Å; L699-L704 HydrophobicContact CD2-CB 4.22Å; L699-L704 HydrophobicContact CD2-CD1 3.8Å; L699-L704 HydrophobicContact CG-CB 4.1Å; L699-I707 HydrophobicContact CD1-CD1 3.61Å; L699-I707 HydrophobicContact CD2-CD1 4.44Å
700V87.3Confident71.6Confident69 Ų6962.2 Ų62.242%0.41831%0.309SS..  trans-71.4154.4178.3-65.50000111.4V698 N702 E703 L704V698-V700 HydrophobicContact CG1-CG1 4.46Å; V700-N702 VanDerWaalsContact C-N 3.27Å; V700-N702 PolarHBondContact O-N 2.71Å; V700-N702 VanDerWaalsContact O-N 3.15Å; V700-E703 HydrophobicContact CG2-CB 3.89Å; V700-E703 PolarHBondContact O-N 3.3Å; V700-L704 PolarHBondContact O-N 3.28Å
701E87.3Confident73.4Confident36 Ų3669 Ų6917%0.16834%0.34CS..Hα-helixtrans-53-39.7-176.1-71.6177.9-17600113.6S617 F620 E703 L704 L705 Q737S617-E701 WeakPolarHBondContact CB-OE1 3.34Å; S617-E701 VanDerWaalsContact CB-OE2 3.29Å; S617-E701 WeakPolarHBondContact CB-OE2 3.42Å; S617-E701 PolarHBondContact N-OE1 3.15Å; S617-E701 PolarHBondContact OG-OE1 3.23Å; S617-E701 PolarHBondContact OG-OE2 3.21Å; F620-E701 HydrophobicContact CB-CG 4.35Å; F620-E701 WeakPolarHBondContact CB-OE2 3.45Å; F620-E701 HydrophobicContact CD2-CB 3.64Å; F620-E701 HydrophobicContact CD2-CG 3.97Å; F620-E701 HydrophobicContact CE2-CB 4.09Å; F620-E701 HydrophobicContact CE2-CG 4.41Å; F620-E701 HydrophobicContact CG-CB 4.25Å; F620-E701 HydrophobicContact CG-CG 4.11Å; E701-E703 PolarHBondContact O-N 3.01Å; E701-L704 PolarHBondContact O-N 3.33Å; E701-L705 VanDerWaalsContact O-CG 3.31Å; E701-L705 WeakPolarHBondContact O-CG 3.48Å; E701-L705 PolarHBondContact O-N 2.85Å; E701-Q737 PolarHBondContact OE1-NE2 3.24Å
702N86.2Confident75.1Confident125 Ų12569.1 Ų69.167%0.66834%0.342SS*.Hα-helixtrans-64.9-37.6177.4-69.9-25.5000113.3V700 T706V700-N702 VanDerWaalsContact C-N 3.27Å; V700-N702 PolarHBondContact O-N 2.71Å; V700-N702 VanDerWaalsContact O-N 3.15Å; N702-T706 PolarHBondContact O-N 2.96Å; N702-T706 PolarHBondContact O-OG1 3.32Å
703E87.1Confident77.5Confident32 Ų3265.3 Ų65.315%0.1533%0.325CS..Hα-helixtrans-74.8-42177.9-170.5178-175.600110.2R610 N655 L699 V700 E701 L705 T706 I707R610-E703 IonicContact CZ-OE1 2.91Å; R610-E703 IonicContact CZ-OE2 2.79Å; R610-E703 VanDerWaalsContact NH1-CD 3.32Å; R610-E703 IonicContact NH1-OE1 3.68Å; R610-E703 PolarHBondContact NH1-OE1 3.41Å; R610-E703 IonicContact NH1-OE2 3.08Å; R610-E703 VanDerWaalsContact NH2-CD 3.28Å; R610-E703 IonicContact NH2-OE1 3.21Å; R610-E703 PolarHBondContact NH2-OE1 3.29Å; R610-E703 IonicContact NH2-OE2 3.45Å; R610-E703 PolarHBondContact NH2-OE2 3.28Å; N655-E703 PolarHBondContact ND2-OE1 3.27Å; L699-E703 HydrophobicContact CD1-CB 3.96Å; L699-E703 HydrophobicContact CD1-CG 3.72Å; V700-E703 HydrophobicContact CG2-CB 3.89Å; V700-E703 PolarHBondContact O-N 3.3Å; E701-E703 PolarHBondContact O-N 3.01Å; E703-L705 VanDerWaalsContact C-N 3.32Å; E703-L705 PolarHBondContact O-N 3.36Å; E703-T706 WeakPolarHBondContact O-CA 3.43Å; E703-T706 WeakPolarHBondContact O-CB 3.27Å; E703-T706 PolarHBondContact O-N 3.44Å; E703-I707 HydrophobicContact CG-CD1 4.44Å; E703-I707 WeakPolarHBondContact O-CG1 3.47Å; E703-I707 PolarHBondContact O-N 3.01Å
704L86.6Confident79.9Confident2 Ų263 Ų631%0.0131%0.309CS..Hα-helixtrans-54-48.1171.8179.355.8000111.1I612 F620 L699 V700 E701 T706 I707 M708 I714I612-L704 HydrophobicContact CD1-CD1 4.46Å; I612-L704 HydrophobicContact CD1-CD2 4.11Å; I612-L704 HydrophobicContact CG2-CD2 4.34Å; F620-L704 HydrophobicContact CE1-CD2 4.38Å; F620-L704 HydrophobicContact CE2-CD2 4.2Å; F620-L704 HydrophobicContact CE2-CG 4.34Å; F620-L704 HydrophobicContact CZ-CD2 3.63Å; F620-L704 HydrophobicContact CZ-CG 4.02Å; L699-L704 HydrophobicContact CD2-CB 4.22Å; L699-L704 HydrophobicContact CD2-CD1 3.8Å; L699-L704 HydrophobicContact CG-CB 4.1Å; V700-L704 PolarHBondContact O-N 3.28Å; E701-L704 PolarHBondContact O-N 3.33Å; L704-T706 PolarHBondContact O-N 3.38Å; L704-I707 PolarHBondContact O-N 3.27Å; L704-M708 HydrophobicContact CD1-CG 4.24Å; L704-M708 HydrophobicContact CD1-SD 3.82Å; L704-M708 HydrophobicContact CG-SD 3.59Å; L704-M708 VanDerWaalsContact CG-SD 3.59Å; L704-M708 WeakPolarHBondContact O-CB 3.31Å; L704-M708 WeakPolarHBondContact O-CG 3.46Å; L704-M708 PolarHBondContact O-N 3.33Å; L704-I714 HydrophobicContact CD1-CD1 3.35Å
705L85.8Confident82.2Confident35 Ų3561.9 Ų61.918%0.18330%0.296CS..Hα-helixtrans-56.5-36.8173.4-74.2176.4000112.9F620 E701 E703 M708 K709F620-L705 HydrophobicContact CD2-CD1 4.19Å; F620-L705 HydrophobicContact CD2-CD2 3.88Å; F620-L705 HydrophobicContact CD2-CG 3.85Å; F620-L705 HydrophobicContact CE2-CD1 4.4Å; F620-L705 HydrophobicContact CE2-CD2 3.51Å; F620-L705 HydrophobicContact CE2-CG 3.57Å; F620-L705 HydrophobicContact CZ-CD2 4.31Å; E701-L705 VanDerWaalsContact O-CG 3.31Å; E701-L705 WeakPolarHBondContact O-CG 3.48Å; E701-L705 PolarHBondContact O-N 2.85Å; E703-L705 VanDerWaalsContact C-N 3.32Å; E703-L705 PolarHBondContact O-N 3.36Å; L705-M708 HydrophobicContact CD2-CE 4.43Å; L705-K709 WeakPolarHBondContact O-CB 3.4Å; L705-K709 WeakPolarHBondContact O-CG 3.27Å; L705-K709 PolarHBondContact O-N 2.97Å
706T85.9Confident84.4Confident69 Ų6952 Ų5242%0.42326%0.258SS..Hα-helixtrans-70.8-47.3-178.5-55.70000110.4N702 E703 L704 M708 K709 E710N702-T706 PolarHBondContact O-N 2.96Å; N702-T706 PolarHBondContact O-OG1 3.32Å; E703-T706 WeakPolarHBondContact O-CA 3.43Å; E703-T706 WeakPolarHBondContact O-CB 3.27Å; E703-T706 PolarHBondContact O-N 3.44Å; L704-T706 PolarHBondContact O-N 3.38Å; T706-M708 VanDerWaalsContact C-N 3.3Å; T706-M708 PolarHBondContact O-N 2.89Å; T706-K709 PolarHBondContact O-N 2.9Å; T706-E710 WeakPolarHBondContact O-CG 3.49Å; T706-E710 PolarHBondContact O-N 2.93Å
707I84.4Confident86.4Confident4 Ų447.5 Ų47.52%0.02124%0.239CC..Hα-helixtrans-59-43.5175.5-62.8176.7000110.6P653 L699 E703 L704 E710 H711 K712 I714P653-I707 HydrophobicContact CG-CD1 4.3Å; P653-I707 HydrophobicContact CG-CG2 3.87Å; L699-I707 HydrophobicContact CD1-CD1 3.61Å; L699-I707 HydrophobicContact CD2-CD1 4.44Å; E703-I707 HydrophobicContact CG-CD1 4.44Å; E703-I707 WeakPolarHBondContact O-CG1 3.47Å; E703-I707 PolarHBondContact O-N 3.01Å; L704-I707 PolarHBondContact O-N 3.27Å; I707-E710 PolarHBondContact O-N 3.35Å; I707-H711 PolarHBondContact O-N 2.88Å; I707-K712 HydrophobicContact CG2-CB 3.8Å; I707-K712 PolarHBondContact O-N 2.97Å; I707-I714 HydrophobicContact CB-CD1 4.44Å; I707-I714 HydrophobicContact CG2-CD1 3.83Å; I707-I714 HydrophobicContact CG2-CG1 3.9Å
708M83.6Confident87Confident19 Ų1947.3 Ų47.39%0.09424%0.238CC..Hα-helixtrans-63.6-42.7177.2-67.6154.663.400112.2F620 C627 P629 L704 L705 T706 E710 H711 I714F620-M708 HydrophobicContact CZ-CE 4.37Å; F620-M708 HydrophobicContact CZ-SD 4.16Å; C627-M708 HydrophobicContact CB-CE 3.84Å; C627-M708 WeakPolarHBondContact O-CE 3.46Å; P629-M708 HydrophobicContact CG-CG 4.49Å; L704-M708 HydrophobicContact CD1-CG 4.24Å; L704-M708 HydrophobicContact CD1-SD 3.82Å; L704-M708 HydrophobicContact CG-SD 3.59Å; L704-M708 VanDerWaalsContact CG-SD 3.59Å; L704-M708 WeakPolarHBondContact O-CB 3.31Å; L704-M708 WeakPolarHBondContact O-CG 3.46Å; L704-M708 PolarHBondContact O-N 3.33Å; L705-M708 HydrophobicContact CD2-CE 4.43Å; T706-M708 VanDerWaalsContact C-N 3.3Å; T706-M708 PolarHBondContact O-N 2.89Å; M708-E710 VanDerWaalsContact C-N 3.26Å; M708-E710 PolarHBondContact O-N 3.3Å; M708-H711 PolarHBondContact O-N 3.47Å; M708-I714 HydrophobicContact CG-CD1 4.45Å
709K84.1Confident87.2Confident148 Ų14846.7 Ų46.764%0.64323%0.234SC*.Hα-helixtrans-64.3-32.7176.2-78.1171.6-177.51770112.2L705 T706 H711L705-K709 WeakPolarHBondContact O-CB 3.4Å; L705-K709 WeakPolarHBondContact O-CG 3.27Å; L705-K709 PolarHBondContact O-N 2.97Å; T706-K709 PolarHBondContact O-N 2.9Å; K709-H711 PolarHBondContact O-CE1 2.97Å; K709-H711 PolarHBondContact O-N 2.86Å; K709-H711 PolarHBondContact O-ND1 3.46Å
710E84Confident87.4Confident98 Ų9849 Ų4946%0.45824%0.243SC..THydrogen-bonded Turntrans-76.6-1.1175-69.1178.5176.400113.5T706 I707 M708 K712T706-E710 WeakPolarHBondContact O-CG 3.49Å; T706-E710 PolarHBondContact O-N 2.93Å; I707-E710 PolarHBondContact O-N 3.35Å; M708-E710 VanDerWaalsContact C-N 3.26Å; M708-E710 PolarHBondContact O-N 3.3Å; E710-K712 HydrophobicContact CB-CD 4.25Å; E710-K712 HydrophobicContact CB-CG 4.09Å; E710-K712 PolarHBondContact O-N 3.44Å; E710-K712 WeakPolarHBondContact OE2-CE 3.26Å; E710-K712 IonicContact OE2-NZ 2.64Å; E710-K712 PolarHBondContact OE2-NZ 3.16Å
711H78.6Confident87.8Confident173 Ų17346.1 Ų46.180%0.80122%0.224SC*.THydrogen-bonded Turntrans57.929.9-179.4-60.444.9000112.8I707 M708 K709I707-H711 PolarHBondContact O-N 2.88Å; M708-H711 PolarHBondContact O-N 3.47Å; K709-H711 PolarHBondContact O-CE1 2.97Å; K709-H711 PolarHBondContact O-N 2.86Å; K709-H711 PolarHBondContact O-ND1 3.46Å
712K82.9Confident88.2Confident66 Ų6644.4 Ų44.429%0.28722%0.216SC..  trans-82.8144.6174.7-67.6178.1177.3164.70110.4P653 I707 E710P653-K712 HydrophobicContact CB-CD 4.29Å; P653-K712 HydrophobicContact CG-CB 4.04Å; P653-K712 HydrophobicContact CG-CD 3.74Å; I707-K712 HydrophobicContact CG2-CB 3.8Å; I707-K712 PolarHBondContact O-N 2.97Å; E710-K712 HydrophobicContact CB-CD 4.25Å; E710-K712 HydrophobicContact CB-CG 4.09Å; E710-K712 PolarHBondContact O-N 3.44Å; E710-K712 WeakPolarHBondContact OE2-CE 3.26Å; E710-K712 IonicContact OE2-NZ 2.64Å; E710-K712 PolarHBondContact OE2-NZ 3.16Å
713S82.8Confident88.6Confident52 Ų5238.4 Ų38.436%0.36419%0.185SC..  trans-74.8139.7-176.6-56.10000112.1
714I89.2Confident89Confident9 Ų936.9 Ų36.95%0.04618%0.177CC..  trans-126.8119.5173.7-58.8176.1000107.4F631 V650 L651 L704 I707 M708F631-I714 HydrophobicContact CE1-CG2 4.11Å; F631-I714 HydrophobicContact CZ-CG2 4.14Å; V650-I714 HydrophobicContact CB-CG2 3.77Å; V650-I714 HydrophobicContact CG1-CG2 4Å; V650-I714 HydrophobicContact CG2-CG2 3.96Å; L651-I714 WeakPolarHBondContact O-CA 3.35Å; L704-I714 HydrophobicContact CD1-CD1 3.35Å; I707-I714 HydrophobicContact CB-CD1 4.44Å; I707-I714 HydrophobicContact CG2-CD1 3.83Å; I707-I714 HydrophobicContact CG2-CG1 3.9Å; M708-I714 HydrophobicContact CG-CD1 4.45Å
715Y90.9Very high89.2Confident41 Ų4137.4 Ų37.416%0.16118%0.18CC..EExtended strand (participates in β ladder)trans-103.5126.9-178.5-57.1-90.5000111.3D537 L539 F603 L607 V650 L651D537-Y715 CarbonylContact O-C 3.59Å; D537-Y715 VanDerWaalsContact O-CA 3.27Å; D537-Y715 WeakPolarHBondContact O-CA 3.45Å; L539-Y715 HydrophobicContact CD2-CD1 4.38Å; L539-Y715 HydrophobicContact CD2-CG 4.37Å; F603-Y715 AromaticContact CD1-CE2 3.8Å; F603-Y715 HydrophobicContact CD1-CE2 3.8Å; F603-Y715 AromaticContact CD1-CZ 3.9Å; F603-Y715 HydrophobicContact CE1-CD1 4.18Å; F603-Y715 AromaticContact CE1-CD2 3.99Å; F603-Y715 HydrophobicContact CE1-CD2 3.99Å; F603-Y715 AromaticContact CE1-CE1 3.73Å; F603-Y715 HydrophobicContact CE1-CE1 3.73Å; F603-Y715 AromaticContact CE1-CE2 3.5Å; F603-Y715 HydrophobicContact CE1-CE2 3.5Å; F603-Y715 VanDerWaalsContact CE1-CE2 3.5Å; F603-Y715 HydrophobicContact CE1-CG 4.31Å; F603-Y715 AromaticContact CE1-CZ 3.36Å; F603-Y715 HydrophobicContact CE2-CD2 4.49Å; F603-Y715 HydrophobicContact CZ-CD1 4.14Å; F603-Y715 AromaticContact CZ-CD2 3.98Å; F603-Y715 HydrophobicContact CZ-CD2 3.98Å; F603-Y715 HydrophobicContact CZ-CE1 4.16Å; F603-Y715 AromaticContact CZ-CE2 3.98Å; F603-Y715 HydrophobicContact CZ-CE2 3.98Å; F603-Y715 HydrophobicContact CZ-CG 4.06Å; L607-Y715 HydrophobicContact CD1-CD2 3.69Å; L607-Y715 HydrophobicContact CD1-CE2 3.63Å; V650-Y715 CarbonylContact C-O 3.59Å; V650-Y715 WeakPolarHBondContact CA-O 3.43Å; V650-Y715 WeakPolarHBondContact CB-O 3.1Å; L651-Y715 HydrophobicContact CB-CD2 4.49Å; L651-Y715 PolarHBondContact N-O 3.18Å; L651-Y715 PolarHBondContact O-N 3.3Å
716F93.8Very high89.4Confident0 Ų037 Ų370%018%0.177CC..EExtended strand (participates in β ladder)trans-74.5134.5176.3177.2-87.7000111.7I520 A524 D537 V538 L539 F631 L635 I648 L719I520-F716 HydrophobicContact CG2-CE1 3.98Å; I520-F716 HydrophobicContact CG2-CE2 4.36Å; I520-F716 HydrophobicContact CG2-CZ 3.38Å; A524-F716 HydrophobicContact CB-CD1 3.75Å; A524-F716 HydrophobicContact CB-CD2 4.49Å; A524-F716 HydrophobicContact CB-CE1 3.82Å; A524-F716 HydrophobicContact CB-CG 4.12Å; A524-F716 HydrophobicContact CB-CZ 4.25Å; D537-F716 PolarHBondContact O-N 3.26Å; V538-F716 HydrophobicContact CG1-CD1 4.08Å; V538-F716 HydrophobicContact CG2-CB 4.17Å; V538-F716 HydrophobicContact CG2-CD1 4.45Å; L539-F716 PolarHBondContact N-O 3.03Å; F631-F716 HydrophobicContact CB-CB 4.15Å; F631-F716 HydrophobicContact CB-CG 4.47Å; F631-F716 HydrophobicContact CD1-CB 3.95Å; F631-F716 HydrophobicContact CD2-CB 3.93Å; F631-F716 AromaticContact CD2-CD2 3.52Å; F631-F716 HydrophobicContact CD2-CD2 3.52Å; F631-F716 HydrophobicContact CD2-CE2 4.44Å; F631-F716 HydrophobicContact CD2-CG 4.05Å; F631-F716 HydrophobicContact CE1-CB 4.3Å; F631-F716 HydrophobicContact CE2-CB 4.29Å; F631-F716 AromaticContact CE2-CD2 3.82Å; F631-F716 HydrophobicContact CE2-CD2 3.82Å; F631-F716 HydrophobicContact CG-CB 3.76Å; F631-F716 HydrophobicContact CG-CD2 4.18Å; F631-F716 HydrophobicContact CG-CG 4.25Å; F631-F716 HydrophobicContact CZ-CB 4.48Å; L635-F716 HydrophobicContact CD1-CD2 4.29Å; L635-F716 HydrophobicContact CD1-CE2 3.77Å; L635-F716 HydrophobicContact CD1-CZ 4.42Å; I648-F716 HydrophobicContact CG2-CD2 3.58Å; I648-F716 HydrophobicContact CG2-CE2 3.46Å; I648-F716 VanDerWaalsContact CG2-CE2 3.46Å; F716-L719 HydrophobicContact CZ-CB 4.33Å
717I92.7Very high89.6Confident2 Ų234.9 Ų34.91%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-107.1-60.8174-48.9-174.1000110.8L539 W564 Q596 I598 Q609 I649 L651L539-I717 HydrophobicContact CD1-CG1 4Å; W564-I717 HydrophobicContact CE3-CG2 3.97Å; W564-I717 HydrophobicContact CZ3-CG2 3.61Å; Q596-I717 PolarHBondContact NE2-O 3.16Å; I598-I717 HydrophobicContact CB-CD1 4.5Å; I598-I717 HydrophobicContact CG2-CG2 4.02Å; Q609-I717 HydrophobicContact CG-CD1 4.22Å; I649-I717 HydrophobicContact CB-CB 4.33Å; I649-I717 HydrophobicContact CG2-CB 4.42Å; I649-I717 HydrophobicContact CG2-CD1 4.01Å; I649-I717 WeakPolarHBondContact O-CB 3.48Å; I649-I717 PolarHBondContact O-N 3.41Å; L651-I717 HydrophobicContact CD2-CD1 4.26Å; L651-I717 HydrophobicContact CG-CD1 4.05Å; L651-I717 HydrophobicContact CG-CG1 4.49Å
718T94Very high89.8Confident0 Ų038.7 Ų38.70%018%0.182CC..EExtended strand (participates in β ladder)trans-163.6172.1-176.5-164.10000111.9W564 I649W564-T718 HydrophobicContact CZ3-CG2 4.07Å; I649-T718 HydrophobicContact CB-CG2 4.17Å; I649-T718 HydrophobicContact CD1-CG2 3.66Å; I649-T718 HydrophobicContact CG1-CG2 3.93Å; I649-T718 PolarHBondContact N-O 2.68Å; I649-T718 PolarHBondContact O-N 2.88Å
719L94.8Very high90.2Very high0 Ų041.9 Ų41.90%020%0.196CC..EExtended strand (participates in β ladder)trans-126138.1174.6-179.4152.7000109.2F516 I520 L614 L635 L641 I648 F716 L721F516-L719 HydrophobicContact CE1-CD2 3.89Å; F516-L719 WeakPolarHBondContact CE1-O 3.36Å; F516-L719 HydrophobicContact CZ-CD2 3.89Å; I520-L719 HydrophobicContact CG2-CB 3.61Å; L614-L719 HydrophobicContact CD1-CD1 3.99Å; L614-L719 HydrophobicContact CD1-CG 4.25Å; L635-L719 HydrophobicContact CD1-CD1 4.44Å; L641-L719 HydrophobicContact CD2-CD1 3.92Å; I648-L719 HydrophobicContact CD1-CD1 4.44Å; I648-L719 HydrophobicContact CG1-CD1 3.99Å; I648-L719 HydrophobicContact CG1-CG 4.28Å; F716-L719 HydrophobicContact CZ-CB 4.33Å; L719-L721 HydrophobicContact CD2-CD2 3.61Å; L719-L721 HydrophobicContact CD2-CG 3.78Å
720R94.2Very high90.6Very high50 Ų5034.9 Ų34.919%0.18917%0.166CC..EExtended strand (participates in β ladder)trans-125.4138.9177.1-64.8-65-165.4173.83.7109.7I486 G646 Y647I486-R720 HydrophobicContact CD1-CB 3.88Å; G646-R720 CarbonylContact C-O 3.59Å; G646-R720 WeakPolarHBondContact CA-O 3.49Å; Y647-R720 HydrophobicContact CD1-CB 4.36Å; Y647-R720 HydrophobicContact CD2-CB 4.38Å; Y647-R720 HydrophobicContact CE1-CB 3.83Å; Y647-R720 HydrophobicContact CE2-CB 3.91Å; Y647-R720 HydrophobicContact CE2-CG 3.98Å; Y647-R720 PolarHBondContact N-O 3.33Å; Y647-R720 PolarHBondContact O-N 3.43Å
721L95Very high91.1Very high7 Ų730.3 Ų30.34%0.03715%0.145CC..EExtended strand (participates in β ladder)trans-108.7129.2-176.8-64.1175.2000110.9I486 F516 V644 S645 L719 L759I486-L721 VanDerWaalsContact CD1-O 3.22Å; I486-L721 WeakPolarHBondContact CD1-O 3.11Å; F516-L721 HydrophobicContact CE1-CD1 4.29Å; F516-L721 HydrophobicContact CE1-CG 4.31Å; F516-L721 HydrophobicContact CE2-CD1 4.33Å; F516-L721 HydrophobicContact CZ-CD1 3.66Å; F516-L721 HydrophobicContact CZ-CG 4.07Å; V644-L721 HydrophobicContact CB-CD2 4.16Å; V644-L721 HydrophobicContact CG2-CD2 4.46Å; S645-L721 CarbonylContact O-C 3.56Å; S645-L721 WeakPolarHBondContact O-CA 3.37Å; L719-L721 HydrophobicContact CD2-CD2 3.61Å; L719-L721 HydrophobicContact CD2-CG 3.78Å; L721-L759 HydrophobicContact CD1-CD2 3.74Å
722G94.8Very high91.9Very high0 Ų028.1 Ų28.10%013%0.134CC..SBendtrans127.1179.6179.800000113.6S484 S645 G646S484-G722 CarbonylContact O-C 3.58Å; S484-G722 VanDerWaalsContact O-CA 3.23Å; S484-G722 WeakPolarHBondContact O-CA 3.34Å; S645-G722 PolarHBondContact O-N 3.35Å; G646-G722 WeakPolarHBondContact CA-O 3.47Å
723L95.8Very high92.4Very high0 Ų025.8 Ų25.80%013%0.127CC..EExtended strand (participates in β ladder)trans-89.4120.8-179.5-63.6-176.5000112T437 V483 S484 L485 I486 I725 V734 I738T437-L723 HydrophobicContact CG2-CD1 3.55Å; V483-L723 HydrophobicContact CG1-CD1 3.55Å; V483-L723 HydrophobicContact CG1-CG 3.85Å; S484-L723 PolarHBondContact O-N 3.35Å; L485-L723 HydrophobicContact CD2-CB 3.81Å; L485-L723 HydrophobicContact CD2-CD1 4.45Å; I486-L723 PolarHBondContact N-O 3.5Å; L723-I725 PolarHBondContact O-N 2.91Å; L723-V734 HydrophobicContact CD2-CG1 3.52Å; L723-I738 HydrophobicContact CD2-CD1 3.76Å
724P94.7Very high93Very high0 Ų023.3 Ų23.30%011%0.11CC..EExtended strand (participates in β ladder)trans-89.482.1-17331.8-31.5000113.2I486 Y647 F726 N727 L730 N731 V734I486-P724 HydrophobicContact CG2-CB 4.46Å; I486-P724 WeakPolarHBondContact O-CA 3.39Å; Y647-P724 HydrophobicContact CD1-CB 3.93Å; Y647-P724 HydrophobicContact CD1-CG 3.9Å; Y647-P724 HydrophobicContact CE1-CB 3.63Å; Y647-P724 HydrophobicContact CE1-CG 4.13Å; P724-F726 HydrophobicContact CB-CD1 3.88Å; P724-F726 HydrophobicContact CB-CE1 3.35Å; P724-F726 HydrophobicContact CB-CZ 3.98Å; P724-F726 PolarHBondContact O-N 3.26Å; P724-N727 PolarHBondContact O-N 3.38Å; P724-L730 HydrophobicContact CB-CD2 3.87Å; P724-L730 HydrophobicContact CB-CG 4.26Å; P724-L730 HydrophobicContact CG-CB 4.23Å; P724-L730 HydrophobicContact CG-CD2 3.68Å; P724-L730 HydrophobicContact CG-CG 3.55Å; P724-N731 WeakPolarHBondContact O-CB 3.45Å; P724-V734 HydrophobicContact CG-CG2 4.24Å
725I92.1Very high93.3Very high13 Ų1323.3 Ų23.37%0.06711%0.111CC..THydrogen-bonded Turntrans-70.2-11.7-178.760.6157.5000114.1I375 N433 L485 L723 N727I375-I725 HydrophobicContact CD1-CD1 3.59Å; I375-I725 HydrophobicContact CG1-CD1 4.36Å; N433-I725 HydrophobicContact CB-CB 4.15Å; N433-I725 WeakPolarHBondContact CB-O 3.36Å; N433-I725 PolarHBondContact ND2-O 2.85Å; L485-I725 HydrophobicContact CD1-CD1 4.12Å; L485-I725 HydrophobicContact CD1-CG2 4.41Å; L485-I725 HydrophobicContact CD2-CG2 3.78Å; L723-I725 PolarHBondContact O-N 2.91Å; I725-N727 VanDerWaalsContact C-N 3.25Å; I725-N727 PolarHBondContact O-N 3.25Å
726F89.7Confident93.5Very high27 Ų2723.6 Ų23.612%0.11812%0.122CC..THydrogen-bonded Turntrans-70-22.8178.268-90.5000113Y430 Y647 Y691 P724 L730Y430-F726 HydrophobicContact CD1-CB 4.41Å; Y430-F726 HydrophobicContact CE1-CB 3.74Å; Y430-F726 VanDerWaalsContact CE1-O 3.28Å; Y430-F726 WeakPolarHBondContact CE1-O 3.2Å; Y647-F726 HydrophobicContact CE1-CE1 4.17Å; Y647-F726 HydrophobicContact CE1-CZ 4.39Å; Y647-F726 HydrophobicContact CE2-CZ 4.34Å; Y647-F726 AromaticContact CZ-CE1 3.9Å; Y647-F726 AromaticContact CZ-CZ 3.85Å; Y647-F726 WeakPolarHBondContact OH-CE1 3.49Å; Y691-F726 HydrophobicContact CD1-CB 3.94Å; Y691-F726 AromaticContact CD1-CD2 3.78Å; Y691-F726 HydrophobicContact CD1-CD2 3.78Å; Y691-F726 HydrophobicContact CD1-CE2 4.49Å; Y691-F726 AromaticContact CD1-CG 3.9Å; Y691-F726 HydrophobicContact CD1-CG 3.9Å; Y691-F726 HydrophobicContact CE1-CB 4.19Å; Y691-F726 HydrophobicContact CE1-CD1 4.36Å; Y691-F726 HydrophobicContact CE1-CD2 4.16Å; Y691-F726 AromaticContact CE1-CG 3.98Å; Y691-F726 HydrophobicContact CE1-CG 3.98Å; P724-F726 HydrophobicContact CB-CD1 3.88Å; P724-F726 HydrophobicContact CB-CE1 3.35Å; P724-F726 HydrophobicContact CB-CZ 3.98Å; P724-F726 PolarHBondContact O-N 3.26Å; F726-L730 HydrophobicContact CZ-CD2 4.22Å
727N89.1Confident93.5Very high24 Ų2424.5 Ų24.513%0.12813%0.126CC..  trans-126.1116.2178.7-176.1-49.6000110.3P724 I725 E729 L730 N731P724-N727 PolarHBondContact O-N 3.38Å; I725-N727 VanDerWaalsContact C-N 3.25Å; I725-N727 PolarHBondContact O-N 3.25Å; N727-E729 PolarHBondContact O-N 2.91Å; N727-E729 PolarHBondContact OD1-N 3.37Å; N727-E729 VanDerWaalsContact OD1-N 3.1Å; N727-L730 HydrophobicContact CB-CB 3.9Å; N727-L730 PolarHBondContact O-N 3.45Å; N727-L730 PolarHBondContact OD1-N 3.3Å; N727-N731 VanDerWaalsContact O-CB 3.26Å; N727-N731 WeakPolarHBondContact O-CB 3.48Å; N727-N731 PolarHBondContact O-N 2.93Å
728M88.9Confident93.5Very high84 Ų8424.5 Ų24.541%0.41413%0.126SC..Hα-helixtrans-61.3-44.8-174.6-179.1-174.9-176.600113.2N433 H732N433-M728 PolarHBondContact ND2-N 3.5Å; N433-M728 WeakPolarHBondContact OD1-CA 3.35Å; N433-M728 VanDerWaalsContact OD1-CB 3.26Å; N433-M728 WeakPolarHBondContact OD1-CB 3.36Å; N433-M728 VanDerWaalsContact OD1-CG 3.3Å; N433-M728 WeakPolarHBondContact OD1-CG 3.44Å; M728-H732 WeakPolarHBondContact O-CB 3.29Å; M728-H732 PolarHBondContact O-N 3.36Å
729E91Very high93.5Very high86 Ų8626.7 Ų26.740%0.40214%0.141SC..Hα-helixtrans-69.4-41.9-178.5-63.3-163.8163.800110.9V698 N727 H732 A733V698-E729 HydrophobicContact CG2-CB 3.81Å; N727-E729 PolarHBondContact O-N 2.91Å; N727-E729 PolarHBondContact OD1-N 3.37Å; N727-E729 VanDerWaalsContact OD1-N 3.1Å; E729-H732 PolarHBondContact O-N 3.33Å; E729-A733 WeakPolarHBondContact O-CB 3.45Å; E729-A733 PolarHBondContact O-N 3.08Å
730L93.7Very high93.3Very high0 Ų030.7 Ų30.70%017%0.169CC..Hα-helixtrans-66-45.8178.5-174.659.5000111.2Y611 P613 Y647 V698 P724 F726 N727 H732 A733 V734Y611-L730 HydrophobicContact CD1-CD2 4.2Å; Y611-L730 HydrophobicContact CD2-CD2 4.29Å; Y611-L730 HydrophobicContact CG-CD1 4.46Å; Y611-L730 HydrophobicContact CG-CD2 3.89Å; P613-L730 HydrophobicContact CB-CD1 4.17Å; Y647-L730 HydrophobicContact CD1-CD2 3.96Å; Y647-L730 HydrophobicContact CD2-CD2 4.1Å; Y647-L730 HydrophobicContact CE1-CD2 4.41Å; Y647-L730 HydrophobicContact CE2-CD2 4.48Å; Y647-L730 HydrophobicContact CG-CD2 3.8Å; V698-L730 HydrophobicContact CG1-CD1 4.31Å; V698-L730 HydrophobicContact CG2-CB 3.89Å; V698-L730 HydrophobicContact CG2-CD1 4.2Å; P724-L730 HydrophobicContact CB-CD2 3.87Å; P724-L730 HydrophobicContact CB-CG 4.26Å; P724-L730 HydrophobicContact CG-CB 4.23Å; P724-L730 HydrophobicContact CG-CD2 3.68Å; P724-L730 HydrophobicContact CG-CG 3.55Å; F726-L730 HydrophobicContact CZ-CD2 4.22Å; N727-L730 HydrophobicContact CB-CB 3.9Å; N727-L730 PolarHBondContact O-N 3.45Å; N727-L730 PolarHBondContact OD1-N 3.3Å; L730-H732 VanDerWaalsContact C-N 3.29Å; L730-H732 PolarHBondContact O-N 3.14Å; L730-A733 PolarHBondContact O-N 3.32Å; L730-V734 HydrophobicContact CD1-CG2 4.38Å; L730-V734 WeakPolarHBondContact O-CG2 3.32Å; L730-V734 PolarHBondContact O-N 2.7Å
731N94.7Very high93.2Very high3 Ų329.8 Ų29.82%0.01617%0.167CC..Hα-helixtrans-55.7-46.8174.6-173.624000111.1N433 T437 P724 N727 V734 C735N433-N731 PolarHBondContact O-ND2 2.94Å; T437-N731 PolarHBondContact OG1-ND2 3.22Å; T437-N731 PolarHBondContact OG1-OD1 3.39Å; P724-N731 WeakPolarHBondContact O-CB 3.45Å; N727-N731 VanDerWaalsContact O-CB 3.26Å; N727-N731 WeakPolarHBondContact O-CB 3.48Å; N727-N731 PolarHBondContact O-N 2.93Å; N731-V734 PolarHBondContact O-N 2.76Å; N731-C735 WeakPolarHBondContact O-CB 3.33Å; N731-C735 PolarHBondContact O-N 3.46Å; N731-C735 PolarHBondContact O-SG 2.97Å
732H94.2Very high93Very high126 Ų12633 Ų3358%0.58318%0.184SC*.Hα-helixtrans-63.4-43.1178.2-179.2-104.2000112.1M728 E729 L730 C735 A736M728-H732 WeakPolarHBondContact O-CB 3.29Å; M728-H732 PolarHBondContact O-N 3.36Å; E729-H732 PolarHBondContact O-N 3.33Å; L730-H732 VanDerWaalsContact C-N 3.29Å; L730-H732 PolarHBondContact O-N 3.14Å; H732-C735 PolarHBondContact O-N 2.97Å; H732-A736 VanDerWaalsContact O-CB 3.26Å; H732-A736 WeakPolarHBondContact O-CB 3.25Å; H732-A736 PolarHBondContact O-N 3.33Å
733A94.2Very high92.9Very high17 Ų1733 Ų3314%0.1419%0.185CC..Hα-helixtrans-64-44178.700000112.2P613 V698 E729 L730 A736 Q737P613-A733 HydrophobicContact CB-CB 3.96Å; P613-A733 HydrophobicContact CG-CB 3.91Å; V698-A733 HydrophobicContact CG1-CB 3.98Å; E729-A733 WeakPolarHBondContact O-CB 3.45Å; E729-A733 PolarHBondContact O-N 3.08Å; L730-A733 PolarHBondContact O-N 3.32Å; A733-A736 PolarHBondContact O-N 2.9Å; A733-Q737 WeakPolarHBondContact O-CG 3.29Å; A733-Q737 PolarHBondContact O-N 3.42Å
734V95.4Very high92.7Very high0 Ų033.2 Ų33.20%019%0.185CC..Hα-helixtrans-61.9-48.4175170.20000110.8P613 L614 G646 L723 P724 L730 N731 A736 Q737 I738P613-V734 HydrophobicContact CB-CG2 3.75Å; L614-V734 WeakPolarHBondContact O-CG1 3.47Å; G646-V734 VanDerWaalsContact O-CG2 3.31Å; G646-V734 WeakPolarHBondContact O-CG2 3.29Å; L723-V734 HydrophobicContact CD2-CG1 3.52Å; P724-V734 HydrophobicContact CG-CG2 4.24Å; L730-V734 HydrophobicContact CD1-CG2 4.38Å; L730-V734 WeakPolarHBondContact O-CG2 3.32Å; L730-V734 PolarHBondContact O-N 2.7Å; N731-V734 PolarHBondContact O-N 2.76Å; V734-A736 VanDerWaalsContact C-N 3.32Å; V734-A736 PolarHBondContact O-N 3.21Å; V734-Q737 PolarHBondContact O-N 2.95Å; V734-I738 HydrophobicContact CG1-CD1 3.93Å; V734-I738 VanDerWaalsContact O-CG1 3.3Å; V734-I738 WeakPolarHBondContact O-CG1 3.37Å; V734-I738 PolarHBondContact O-N 2.99Å
735C95.6Very high92.6Very high10 Ų1033.5 Ų33.57%0.06819%0.188CC..Hα-helixtrans-60.4-41.6177-68.30000112F440 N731 H732 I738 S739F440-C735 HydrophobicContact CD1-CB 3.93Å; F440-C735 VanDerWaalsContact CD1-SG 3.56Å; F440-C735 HydrophobicContact CD2-CB 3.87Å; F440-C735 HydrophobicContact CE1-CB 4.04Å; F440-C735 HydrophobicContact CE2-CB 3.98Å; F440-C735 VanDerWaalsContact CE2-O 3.23Å; F440-C735 WeakPolarHBondContact CE2-O 3.48Å; F440-C735 HydrophobicContact CG-CB 3.84Å; F440-C735 HydrophobicContact CZ-CB 4.06Å; F440-C735 WeakPolarHBondContact CZ-O 3.42Å; N731-C735 WeakPolarHBondContact O-CB 3.33Å; N731-C735 PolarHBondContact O-N 3.46Å; N731-C735 PolarHBondContact O-SG 2.97Å; H732-C735 PolarHBondContact O-N 2.97Å; C735-I738 PolarHBondContact O-N 3.29Å; C735-S739 PolarHBondContact O-N 2.87Å
736A94.2Very high92.5Very high47 Ų4735.4 Ų35.439%0.38820%0.2SC..Hα-helixtrans-62.7-41.917700000111.8H732 A733 V734 S739 S740H732-A736 VanDerWaalsContact O-CB 3.26Å; H732-A736 WeakPolarHBondContact O-CB 3.25Å; H732-A736 PolarHBondContact O-N 3.33Å; A733-A736 PolarHBondContact O-N 2.9Å; V734-A736 VanDerWaalsContact C-N 3.32Å; V734-A736 PolarHBondContact O-N 3.21Å; A736-S739 PolarHBondContact O-N 3.4Å; A736-S740 WeakPolarHBondContact O-CB 3.29Å; A736-S740 PolarHBondContact O-N 2.93Å; A736-S740 PolarHBondContact O-OG 3.3Å
737Q94.3Very high92.5Very high19 Ų1940.2 Ų40.29%0.08923%0.227CC..Hα-helixtrans-64-45.5175.4-78.8178.5-27.900112.2P613 L614 P615 E701 A733 V734 S739 S740 Q741P613-Q737 VanDerWaalsContact CB-OE1 3.28Å; P613-Q737 PolarHBondContact O-NE2 3.41Å; P613-Q737 PolarHBondContact O-OE1 3.24Å; L614-Q737 VanDerWaalsContact CA-OE1 3.32Å; L614-Q737 VanDerWaalsContact N-OE1 3.09Å; L614-Q737 PolarHBondContact O-OE1 3.05Å; P615-Q737 HydrophobicContact CG-CB 4.07Å; P615-Q737 PolarHBondContact O-NE2 3.21Å; P615-Q737 PolarHBondContact O-OE1 3.42Å; E701-Q737 PolarHBondContact OE1-NE2 3.24Å; A733-Q737 WeakPolarHBondContact O-CG 3.29Å; A733-Q737 PolarHBondContact O-N 3.42Å; V734-Q737 PolarHBondContact O-N 2.95Å; Q737-S739 VanDerWaalsContact C-N 3.28Å; Q737-S739 PolarHBondContact O-N 3.43Å; Q737-S740 WeakPolarHBondContact CA-OG 3.49Å; Q737-S740 PolarHBondContact O-N 3.35Å; Q737-S740 PolarHBondContact O-OG 2.89Å; Q737-Q741 PolarHBondContact O-N 3.33Å; Q737-Q741 VanDerWaalsContact O-N 3.14Å
738I93.9Very high92.6Very high2 Ų240 Ų401%0.0123%0.226CC..Hα-helixtrans-56.6-44.7175.8-67.2169.7000110.5F440 P615 L723 V734 C735 N742 L743 L744F440-I738 HydrophobicContact CE1-CB 4.49Å; F440-I738 HydrophobicContact CE1-CD1 4.47Å; F440-I738 HydrophobicContact CE1-CG2 4.21Å; F440-I738 HydrophobicContact CZ-CB 3.86Å; F440-I738 HydrophobicContact CZ-CG2 3.66Å; P615-I738 HydrophobicContact CG-CG1 4.47Å; L723-I738 HydrophobicContact CD2-CD1 3.76Å; V734-I738 HydrophobicContact CG1-CD1 3.93Å; V734-I738 VanDerWaalsContact O-CG1 3.3Å; V734-I738 WeakPolarHBondContact O-CG1 3.37Å; V734-I738 PolarHBondContact O-N 2.99Å; C735-I738 PolarHBondContact O-N 3.29Å; I738-N742 PolarHBondContact O-N 2.88Å; I738-L743 HydrophobicContact CG1-CD2 4.38Å; I738-L743 HydrophobicContact CG2-CB 4.12Å; I738-L743 PolarHBondContact O-N 2.98Å; I738-L743 VanDerWaalsContact O-N 3.12Å; I738-L744 HydrophobicContact CG2-CD1 4.27Å; I738-L744 HydrophobicContact CG2-CG 4.19Å
739S93.3Very high92.8Very high46 Ų4637.6 Ų37.632%0.32221%0.212SC..Hα-helixtrans-65.6-45.8177.1-1650000112.3Q444 C735 A736 Q737 Q741 N742Q444-S739 PolarHBondContact NE2-OG 3.45Å; Q444-S739 VanDerWaalsContact NE2-OG 3.08Å; C735-S739 PolarHBondContact O-N 2.87Å; A736-S739 PolarHBondContact O-N 3.4Å; Q737-S739 VanDerWaalsContact C-N 3.28Å; Q737-S739 PolarHBondContact O-N 3.43Å; S739-Q741 PolarHBondContact O-N 3.03Å; S739-N742 PolarHBondContact O-N 3.27Å; S739-N742 VanDerWaalsContact O-N 3.11Å; S739-N742 PolarHBondContact O-OD1 3.34Å
740S91.5Very high92.9Very high84 Ų8439 Ų3959%0.58722%0.222SC*.Hα-helixtrans-61-32-176.270.20000112.6A736 Q737A736-S740 WeakPolarHBondContact O-CB 3.29Å; A736-S740 PolarHBondContact O-N 2.93Å; A736-S740 PolarHBondContact O-OG 3.3Å; Q737-S740 WeakPolarHBondContact CA-OG 3.49Å; Q737-S740 PolarHBondContact O-N 3.35Å; Q737-S740 PolarHBondContact O-OG 2.89Å
741Q90.7Very high92.9Very high30 Ų3043.5 Ų43.514%0.1424%0.243CC..THydrogen-bonded Turntrans-96.62-179.3-59.2-163.858.500113.4P615 I616 Q737 S739 L743 N748P615-Q741 PolarHBondContact O-NE2 3Å; P615-Q741 VanDerWaalsContact O-NE2 3.17Å; I616-Q741 PolarHBondContact O-NE2 3.01Å; Q737-Q741 PolarHBondContact O-N 3.33Å; Q737-Q741 VanDerWaalsContact O-N 3.14Å; S739-Q741 PolarHBondContact O-N 3.03Å; Q741-L743 PolarHBondContact O-N 3.25Å; Q741-N748 PolarHBondContact O-ND2 3.5Å; Q741-N748 VanDerWaalsContact O-ND2 3.12Å
742N91.7Very high92.8Very high74 Ų7443.5 Ų43.540%0.39624%0.243SC..THydrogen-bonded Turntrans46.943.9-173.6-69.2-42.5000112.1I738 S739 L744 S745 N748I738-N742 PolarHBondContact O-N 2.88Å; S739-N742 PolarHBondContact O-N 3.27Å; S739-N742 VanDerWaalsContact O-N 3.11Å; S739-N742 PolarHBondContact O-OD1 3.34Å; N742-L744 PolarHBondContact O-N 3.16Å; N742-S745 VanDerWaalsContact O-CB 3.24Å; N742-S745 WeakPolarHBondContact O-CB 3.5Å; N742-S745 PolarHBondContact O-N 3.11Å; N742-S745 PolarHBondContact O-OG 3.28Å; N742-N748 PolarHBondContact O-ND2 3.36Å
743L91.5Very high92.8Very high2 Ų240.4 Ų40.41%0.0123%0.229CC..THydrogen-bonded Turntrans-62.8-28.6-170-178.258.7000112.6L504 P615 Y643 I738 Q741 S745L504-L743 HydrophobicContact CD1-CD2 4.27Å; L504-L743 HydrophobicContact CD2-CD2 3.49Å; L504-L743 VanDerWaalsContact CD2-CD2 3.49Å; L504-L743 HydrophobicContact CD2-CG 4.06Å; P615-L743 HydrophobicContact CG-CD2 4.1Å; Y643-L743 HydrophobicContact CD1-CD1 3.57Å; Y643-L743 HydrophobicContact CE1-CD1 4.47Å; Y643-L743 HydrophobicContact CG-CD1 4.31Å; I738-L743 HydrophobicContact CG1-CD2 4.38Å; I738-L743 HydrophobicContact CG2-CB 4.12Å; I738-L743 PolarHBondContact O-N 2.98Å; I738-L743 VanDerWaalsContact O-N 3.12Å; Q741-L743 PolarHBondContact O-N 3.25Å; L743-S745 VanDerWaalsContact C-N 3.3Å; L743-S745 PolarHBondContact O-N 3.18Å
744L92.3Very high92.8Very high3 Ų342.2 Ų42.22%0.01624%0.244CC..THydrogen-bonded Turntrans-81.9-0.6177.6-68.3174.2000114.3L367 L441 Q444 T450 F452 V481 L504 I738 N742L367-L744 HydrophobicContact CD1-CD2 4.31Å; L367-L744 HydrophobicContact CD2-CD1 4.44Å; L441-L744 HydrophobicContact CD2-CD1 4.44Å; Q444-L744 HydrophobicContact CB-CD1 3.66Å; Q444-L744 HydrophobicContact CG-CD1 3.92Å; T450-L744 HydrophobicContact CG2-CB 4.43Å; T450-L744 WeakPolarHBondContact CG2-O 3.29Å; F452-L744 HydrophobicContact CE2-CB 4.14Å; F452-L744 WeakPolarHBondContact CE2-O 3.21Å; V481-L744 HydrophobicContact CG1-CD2 3.79Å; L504-L744 HydrophobicContact CD1-CD2 3.53Å; L504-L744 HydrophobicContact CD1-CG 4.27Å; I738-L744 HydrophobicContact CG2-CD1 4.27Å; I738-L744 HydrophobicContact CG2-CG 4.19Å; N742-L744 PolarHBondContact O-N 3.16Å
745S91.9Very high92.7Very high7 Ų742.7 Ų42.75%0.04925%0.247CC..SBendtrans-67.2154.6178.265.50000112.9S449 N742 L743 N747 N748 R749S449-S745 WeakPolarHBondContact O-CA 3.34Å; S449-S745 WeakPolarHBondContact O-CB 3.36Å; N742-S745 VanDerWaalsContact O-CB 3.24Å; N742-S745 WeakPolarHBondContact O-CB 3.5Å; N742-S745 PolarHBondContact O-N 3.11Å; N742-S745 PolarHBondContact O-OG 3.28Å; L743-S745 VanDerWaalsContact C-N 3.3Å; L743-S745 PolarHBondContact O-N 3.18Å; S745-N747 PolarHBondContact O-N 3.26Å; S745-N748 PolarHBondContact O-N 3.46Å; S745-N748 PolarHBondContact OG-ND2 2.86Å; S745-R749 PolarHBondContact O-N 3.06Å
746T90.1Very high92.6Very high53 Ų5343 Ų4333%0.32525%0.248SC..G310 helixtrans-59-34.2176.353.60000112.3S449 D451 N748 R749S449-T746 PolarHBondContact O-N 2.72Å; S449-T746 VanDerWaalsContact O-N 3.16Å; D451-T746 HydrophobicContact CB-CG2 3.82Å; T746-N748 PolarHBondContact O-N 3.37Å; T746-R749 VanDerWaalsContact O-CB 3.3Å; T746-R749 WeakPolarHBondContact O-CB 3.39Å; T746-R749 PolarHBondContact O-N 2.73Å
747N90.9Very high92.6Very high128 Ų12844.9 Ų44.968%0.68425%0.249SC*.G310 helixtrans-64.7-36.7178.7-66.5-23.9000113.1S745 R749S745-N747 PolarHBondContact O-N 3.26Å; N747-R749 VanDerWaalsContact C-N 3.33Å
748N91.7Very high92.5Very high20 Ų2047.4 Ų47.411%0.10726%0.262CS..G310 helixtrans-85.6-7.5-178.3-73.8-28000113Y643 Q741 N742 S745 T746 N750 H751 L752Y643-N748 HydrophobicContact CD1-CB 4.44Å; Y643-N748 HydrophobicContact CE1-CB 4.11Å; Q741-N748 PolarHBondContact O-ND2 3.5Å; Q741-N748 VanDerWaalsContact O-ND2 3.12Å; N742-N748 PolarHBondContact O-ND2 3.36Å; S745-N748 PolarHBondContact O-N 3.46Å; S745-N748 PolarHBondContact OG-ND2 2.86Å; T746-N748 PolarHBondContact O-N 3.37Å; N748-N750 PolarHBondContact O-N 2.94Å; N748-H751 WeakPolarHBondContact O-CB 3.34Å; N748-H751 PolarHBondContact O-N 3.36Å; N748-H751 VanDerWaalsContact O-N 3.11Å; N748-L752 PolarHBondContact O-N 3.11Å
749R92Very high92.5Very high33 Ų3347.4 Ų47.413%0.12526%0.262CS..Hα-helixtrans-59.3-46.7-174.3-170166.4-67.9146.33.3113.4D451 N480 P502 S745 T746 N747 H751 L752 E753D451-R749 VanDerWaalsContact CG-NH1 3.32Å; D451-R749 IonicContact OD1-CZ 2.73Å; D451-R749 VanDerWaalsContact OD1-CZ 3.31Å; D451-R749 IonicContact OD1-NH1 3.45Å; D451-R749 PolarHBondContact OD1-NH1 3.23Å; D451-R749 VanDerWaalsContact OD1-NH1 3.1Å; D451-R749 IonicContact OD1-NH2 3.46Å; D451-R749 PolarHBondContact OD1-NH2 2.99Å; D451-R749 IonicContact OD2-CZ 2.73Å; D451-R749 IonicContact OD2-NH1 2.88Å; D451-R749 PolarHBondContact OD2-NH1 3.21Å; D451-R749 IonicContact OD2-NH2 3.28Å; N480-R749 PolarHBondContact ND2-NH1 3.45Å; P502-R749 HydrophobicContact CB-CG 4.3Å; P502-R749 HydrophobicContact CG-CG 3.67Å; S745-R749 PolarHBondContact O-N 3.06Å; T746-R749 VanDerWaalsContact O-CB 3.3Å; T746-R749 WeakPolarHBondContact O-CB 3.39Å; T746-R749 PolarHBondContact O-N 2.73Å; N747-R749 VanDerWaalsContact C-N 3.33Å; R749-H751 VanDerWaalsContact C-N 3.25Å; R749-H751 PolarHBondContact O-N 2.77Å; R749-L752 PolarHBondContact O-N 2.93Å; R749-E753 PolarHBondContact O-N 3.29Å
750N93Very high92.4Very high115 Ų11546.1 Ų46.162%0.61525%0.252SS*.Hα-helixtrans-64.9-32.8178.5-63.6-18.7000111.8N748 A754N748-N750 PolarHBondContact O-N 2.94Å; N750-A754 VanDerWaalsContact O-CB 3.23Å; N750-A754 WeakPolarHBondContact O-CB 3.41Å; N750-A754 PolarHBondContact O-N 3.11Å
751H93.6Very high92.5Very high94 Ų9448.1 Ų48.144%0.43525%0.252SS..Hα-helixtrans-73-39.6177.2-68.2-58.6000112.1Y643 N748 R749 T755Y643-H751 HydrophobicContact CD1-CB 3.65Å; Y643-H751 HydrophobicContact CD2-CB 3.97Å; Y643-H751 HydrophobicContact CE1-CB 3.47Å; Y643-H751 VanDerWaalsContact CE1-CB 3.47Å; Y643-H751 HydrophobicContact CE2-CB 3.78Å; Y643-H751 HydrophobicContact CG-CB 3.92Å; Y643-H751 AromaticContact CZ-CD2 3.93Å; Y643-H751 AromaticContact CZ-CG 3.72Å; N748-H751 WeakPolarHBondContact O-CB 3.34Å; N748-H751 PolarHBondContact O-N 3.36Å; N748-H751 VanDerWaalsContact O-N 3.11Å; R749-H751 VanDerWaalsContact C-N 3.25Å; R749-H751 PolarHBondContact O-N 2.77Å; H751-T755 WeakPolarHBondContact O-CB 3.46Å; H751-T755 PolarHBondContact O-N 2.85Å; H751-T755 PolarHBondContact O-OG1 3.35Å
752L93.3Very high92.6Very high3 Ų348.5 Ų48.52%0.01625%0.254CS..Hα-helixtrans-59.7-52.6172.2176.459.4000110.2V481 P502 L504 Y643 N748 R749 A754 T755 N756V481-L752 HydrophobicContact CG1-CD2 4.49Å; P502-L752 HydrophobicContact CB-CB 4.37Å; P502-L752 HydrophobicContact CB-CD2 3.64Å; P502-L752 HydrophobicContact CB-CG 3.86Å; L504-L752 HydrophobicContact CD2-CD1 3.54Å; L504-L752 HydrophobicContact CD2-CD2 3.97Å; L504-L752 HydrophobicContact CD2-CG 4.43Å; L504-L752 HydrophobicContact CG-CD1 4.35Å; L504-L752 HydrophobicContact CG-CD2 4.02Å; Y643-L752 WeakPolarHBondContact O-CD1 3.33Å; N748-L752 PolarHBondContact O-N 3.11Å; R749-L752 PolarHBondContact O-N 2.93Å; L752-A754 PolarHBondContact O-N 3.1Å; L752-T755 WeakPolarHBondContact O-CA 3.2Å; L752-T755 WeakPolarHBondContact O-CB 3.45Å; L752-T755 PolarHBondContact O-N 3.17Å; L752-N756 PolarHBondContact O-N 3.43Å; L752-N756 PolarHBondContact O-OD1 3.35Å
753E93.3Very high92.6Very high62 Ų6245 Ų4529%0.2924%0.235SC..Hα-helixtrans-57.8-46.9178.6-166.9170.7-17400112.4P502 R749 T755 N756 H757P502-E753 HydrophobicContact CG-CB 4.08Å; P502-E753 HydrophobicContact CG-CG 4.45Å; R749-E753 PolarHBondContact O-N 3.29Å; E753-T755 VanDerWaalsContact C-N 3.27Å; E753-T755 PolarHBondContact O-N 3.49Å; E753-N756 PolarHBondContact O-N 3.41Å; E753-H757 PolarHBondContact O-CD2 2.96Å; E753-H757 VanDerWaalsContact O-CD2 3.26Å; E753-H757 PolarHBondContact O-N 2.86Å; E753-H757 IonicContact OE1-NE2 2.7Å
754A93.7Very high92.5Very high55 Ų5547.5 Ų47.546%0.45525%0.251SS..Hα-helixtrans-61.1-36.5176.100000112.3N750 L752 L758N750-A754 VanDerWaalsContact O-CB 3.23Å; N750-A754 WeakPolarHBondContact O-CB 3.41Å; N750-A754 PolarHBondContact O-N 3.11Å; L752-A754 PolarHBondContact O-N 3.1Å; A754-L758 WeakPolarHBondContact O-CB 3.37Å; A754-L758 PolarHBondContact O-N 2.81Å
755T93.6Very high92.5Very high9 Ų951.4 Ų51.46%0.05527%0.268CS..Hα-helixtrans-69.4-42.1177.2-57.50000111.2N640 V644 H751 L752 E753 L759N640-T755 HydrophobicContact CB-CG2 3.86Å; V644-T755 HydrophobicContact CG1-CG2 3.73Å; H751-T755 WeakPolarHBondContact O-CB 3.46Å; H751-T755 PolarHBondContact O-N 2.85Å; H751-T755 PolarHBondContact O-OG1 3.35Å; L752-T755 WeakPolarHBondContact O-CA 3.2Å; L752-T755 WeakPolarHBondContact O-CB 3.45Å; L752-T755 PolarHBondContact O-N 3.17Å; E753-T755 VanDerWaalsContact C-N 3.27Å; E753-T755 PolarHBondContact O-N 3.49Å; T755-L759 WeakPolarHBondContact O-CB 3.48Å; T755-L759 PolarHBondContact O-N 3.19Å
756N94.3Very high92.4Very high16 Ų1651.1 Ų51.19%0.08627%0.266CS..Hα-helixtrans-59.8-47.5173.4-69114.9000111H503 P507 L752 E753 L759 V760H503-N756 PolarHBondContact N-OD1 2.79Å; H503-N756 PolarHBondContact O-ND2 3.02Å; H503-N756 PolarHBondContact O-OD1 2.97Å; P507-N756 HydrophobicContact CB-CB 4.19Å; L752-N756 PolarHBondContact O-N 3.43Å; L752-N756 PolarHBondContact O-OD1 3.35Å; E753-N756 PolarHBondContact O-N 3.41Å; N756-L759 PolarHBondContact O-N 3.41Å; N756-V760 VanDerWaalsContact O-CG2 3.31Å; N756-V760 WeakPolarHBondContact O-CG2 3.2Å; N756-V760 PolarHBondContact O-N 3.23Å
757H93.6Very high92.3Very high88 Ų8848.7 Ų48.741%0.40725%0.251SS..Hα-helixtrans-62.6-45179.5-75.4-46.1000113.2E753 L759 V760 E761E753-H757 PolarHBondContact O-CD2 2.96Å; E753-H757 VanDerWaalsContact O-CD2 3.26Å; E753-H757 PolarHBondContact O-N 2.86Å; E753-H757 IonicContact OE1-NE2 2.7Å; H757-L759 VanDerWaalsContact C-N 3.33Å; H757-L759 PolarHBondContact O-N 3.49Å; H757-V760 PolarHBondContact O-N 3.3Å; H757-E761 WeakPolarHBondContact O-CB 3.37Å; H757-E761 PolarHBondContact O-N 3.34Å
758L92.7Very high92.1Very high71 Ų7145.8 Ų45.837%0.37223%0.232SC..Hα-helixtrans-61.3-43.1177.9-179.264.3000111.6V638 A754 E761 E762V638-L758 WeakPolarHBondContact O-CD2 3.49Å; A754-L758 WeakPolarHBondContact O-CB 3.37Å; A754-L758 PolarHBondContact O-N 2.81Å; L758-E761 PolarHBondContact O-N 3.03Å; L758-E762 HydrophobicContact CD1-CG 4.31Å; L758-E762 PolarHBondContact O-N 3.19Å
759L93.2Very high91.8Very high2 Ų250.4 Ų50.41%0.0126%0.257CS..Hα-helixtrans-61.2-46.3176.7172.453.7000111.3P507 F516 F519 I639 L721 T755 N756 H757 F763P507-L759 HydrophobicContact CG-CD2 3.98Å; P507-L759 HydrophobicContact CG-CG 4.33Å; F516-L759 HydrophobicContact CE2-CD1 4.09Å; F516-L759 HydrophobicContact CE2-CD2 4.47Å; F519-L759 HydrophobicContact CE1-CD1 3.95Å; I639-L759 HydrophobicContact CD1-CD1 3.53Å; I639-L759 HydrophobicContact CD1-CD2 4.38Å; I639-L759 HydrophobicContact CD1-CG 4.5Å; I639-L759 HydrophobicContact CG1-CD1 3.72Å; L721-L759 HydrophobicContact CD1-CD2 3.74Å; T755-L759 WeakPolarHBondContact O-CB 3.48Å; T755-L759 PolarHBondContact O-N 3.19Å; N756-L759 PolarHBondContact O-N 3.41Å; H757-L759 VanDerWaalsContact C-N 3.33Å; H757-L759 PolarHBondContact O-N 3.49Å; L759-F763 WeakPolarHBondContact O-CB 3.5Å; L759-F763 PolarHBondContact O-N 2.83Å
760V92.8Very high91.3Very high20 Ų2051.9 Ų51.912%0.12127%0.267CS..Hα-helixtrans-61.3-48.4177.5171.20000110.7P507 I508 N756 H757 F763 T764P507-V760 HydrophobicContact CB-CG2 3.81Å; P507-V760 HydrophobicContact CG-CG2 3.68Å; I508-V760 HydrophobicContact CD1-CG1 4.32Å; I508-V760 HydrophobicContact CD1-CG2 4.39Å; I508-V760 HydrophobicContact CG1-CG2 4.36Å; I508-V760 HydrophobicContact CG2-CB 4.49Å; I508-V760 HydrophobicContact CG2-CG1 4.02Å; I508-V760 HydrophobicContact CG2-CG2 3.62Å; N756-V760 VanDerWaalsContact O-CG2 3.31Å; N756-V760 WeakPolarHBondContact O-CG2 3.2Å; N756-V760 PolarHBondContact O-N 3.23Å; H757-V760 PolarHBondContact O-N 3.3Å; V760-F763 PolarHBondContact O-N 3.44Å; V760-T764 VanDerWaalsContact O-CB 3.27Å; V760-T764 WeakPolarHBondContact O-CB 3.33Å; V760-T764 PolarHBondContact O-N 2.86Å; V760-T764 PolarHBondContact O-OG1 3.12Å
761E92.4Very high90.9Very high125 Ų12546.5 Ų46.558%0.58424%0.238SC*.Hα-helixtrans-58.3-53.2-178.8-176.4-179.6176.500112.1H757 L758 F763 K765H757-E761 WeakPolarHBondContact O-CB 3.37Å; H757-E761 PolarHBondContact O-N 3.34Å; L758-E761 PolarHBondContact O-N 3.03Å; E761-F763 VanDerWaalsContact C-N 3.35Å; E761-F763 PolarHBondContact O-N 3.05Å; E761-K765 WeakPolarHBondContact O-CB 3.33Å; E761-K765 PolarHBondContact O-N 3Å
762E92.1Very high90.1Very high38 Ų3844.6 Ų44.618%0.17824%0.236CC..Hα-helixtrans-68.4-34.8-178.1-75.4-66.3124.400112F519 V638 L758 K765 F766F519-E762 HydrophobicContact CZ-CB 4.35Å; V638-E762 HydrophobicContact CG1-CB 3.76Å; V638-E762 HydrophobicContact CG1-CG 4.16Å; L758-E762 HydrophobicContact CD1-CG 4.31Å; L758-E762 PolarHBondContact O-N 3.19Å; E762-K765 IonicContact OE1-NZ 3.59Å; E762-K765 PolarHBondContact OE1-NZ 3.02Å; E762-K765 IonicContact OE2-NZ 3.61Å; E762-K765 PolarHBondContact OE2-NZ 3.22Å; E762-F766 WeakPolarHBondContact O-CB 3.1Å; E762-F766 PolarHBondContact O-N 3.41Å
763F92.9Very high89Confident1 Ų144.8 Ų44.80%0.00424%0.238CC..Hα-helixtrans-72.1-43.1177.9-177.7-139.6000112.7I508 E510 A511 W515 F516 F519 L759 V760 E761 K765 F766 I767I508-F763 HydrophobicContact CD1-CD1 3.78Å; I508-F763 HydrophobicContact CD1-CE1 4.17Å; I508-F763 HydrophobicContact CG1-CD1 4.41Å; E510-F763 VanDerWaalsContact C-CE1 3.45Å; E510-F763 HydrophobicContact CB-CE1 3.67Å; E510-F763 HydrophobicContact CB-CZ 4.2Å; E510-F763 WeakPolarHBondContact O-CE1 3.32Å; E510-F763 WeakPolarHBondContact O-CZ 3.44Å; A511-F763 HydrophobicContact CB-CE1 4.34Å; W515-F763 HydrophobicContact CB-CE2 3.88Å; W515-F763 HydrophobicContact CB-CZ 3.68Å; F516-F763 HydrophobicContact CB-CE1 4.48Å; F516-F763 HydrophobicContact CB-CE2 4.49Å; F516-F763 HydrophobicContact CB-CZ 3.93Å; F516-F763 HydrophobicContact CD2-CD1 4.44Å; F516-F763 HydrophobicContact CD2-CE1 4.19Å; F516-F763 HydrophobicContact CD2-CE2 4.46Å; F516-F763 HydrophobicContact CD2-CZ 4.18Å; F519-F763 HydrophobicContact CB-CD2 3.63Å; F519-F763 HydrophobicContact CB-CE2 3.57Å; F519-F763 HydrophobicContact CD1-CB 4.15Å; F519-F763 AromaticContact CD1-CD2 3.4Å; F519-F763 HydrophobicContact CD1-CD2 3.4Å; F519-F763 VanDerWaalsContact CD1-CD2 3.4Å; F519-F763 HydrophobicContact CD1-CE2 4.03Å; F519-F763 AromaticContact CD1-CG 3.98Å; F519-F763 HydrophobicContact CD1-CG 3.98Å; F519-F763 HydrophobicContact CD2-CD2 4.01Å; F519-F763 HydrophobicContact CE1-CB 3.8Å; F519-F763 AromaticContact CE1-CD2 3.96Å; F519-F763 HydrophobicContact CE1-CD2 3.96Å; F519-F763 HydrophobicContact CE1-CG 4.15Å; F519-F763 HydrophobicContact CE2-CD2 4.47Å; F519-F763 AromaticContact CG-CD2 3.4Å; F519-F763 HydrophobicContact CG-CD2 3.4Å; F519-F763 VanDerWaalsContact CG-CD2 3.4Å; F519-F763 AromaticContact CG-CE2 3.9Å; F519-F763 HydrophobicContact CG-CE2 3.9Å; F519-F763 HydrophobicContact CG-CG 4.37Å; F519-F763 HydrophobicContact CZ-CB 4.01Å; F519-F763 HydrophobicContact CZ-CD2 4.44Å; L759-F763 WeakPolarHBondContact O-CB 3.5Å; L759-F763 PolarHBondContact O-N 2.83Å; V760-F763 PolarHBondContact O-N 3.44Å; E761-F763 VanDerWaalsContact C-N 3.35Å; E761-F763 PolarHBondContact O-N 3.05Å; F763-K765 VanDerWaalsContact C-N 3.34Å; F763-K765 PolarHBondContact O-N 2.98Å; F763-F766 WeakPolarHBondContact O-CB 3.44Å; F763-F766 PolarHBondContact O-N 3.28Å; F763-I767 HydrophobicContact CD1-CD1 4.31Å; F763-I767 HydrophobicContact CD2-CD1 4.02Å; F763-I767 HydrophobicContact CD2-CG1 4.16Å; F763-I767 HydrophobicContact CE1-CD1 3.9Å; F763-I767 HydrophobicContact CE2-CD1 3.61Å; F763-I767 HydrophobicContact CE2-CG1 3.87Å; F763-I767 HydrophobicContact CG-CD1 4.36Å; F763-I767 HydrophobicContact CZ-CD1 3.56Å; F763-I767 HydrophobicContact CZ-CG1 4.31Å; F763-I767 WeakPolarHBondContact O-CG1 3.48Å; F763-I767 PolarHBondContact O-N 3.46Å
764T90.2Very high87.8Confident54 Ų5447.4 Ų47.433%0.33125%0.253SS..Hα-helixtrans-60.8-45.1173.4-62.60000110.6V760 F766 I767 F768V760-T764 VanDerWaalsContact O-CB 3.27Å; V760-T764 WeakPolarHBondContact O-CB 3.33Å; V760-T764 PolarHBondContact O-N 2.86Å; V760-T764 PolarHBondContact O-OG1 3.12Å; T764-F766 VanDerWaalsContact C-N 3.32Å; T764-F766 PolarHBondContact O-N 3.43Å; T764-I767 PolarHBondContact O-N 3.13Å; T764-F768 HydrophobicContact CG2-CD2 3.65Å; T764-F768 HydrophobicContact CG2-CE2 3.91Å; T764-F768 VanDerWaalsContact O-CD2 3.27Å; T764-F768 WeakPolarHBondContact O-CD2 3.41Å; T764-F768 PolarHBondContact O-N 3.3Å
765K90.5Very high86.4Confident86 Ų8649 Ų4937%0.37425%0.254SS..Hα-helixtrans-58.1-44174.7175.9-177.6164.5-1640111.7E761 E762 F763 N769 D770E761-K765 WeakPolarHBondContact O-CB 3.33Å; E761-K765 PolarHBondContact O-N 3Å; E762-K765 IonicContact OE1-NZ 3.59Å; E762-K765 PolarHBondContact OE1-NZ 3.02Å; E762-K765 IonicContact OE2-NZ 3.61Å; E762-K765 PolarHBondContact OE2-NZ 3.22Å; F763-K765 VanDerWaalsContact C-N 3.34Å; F763-K765 PolarHBondContact O-N 2.98Å; K765-N769 WeakPolarHBondContact O-CA 3.21Å; K765-N769 WeakPolarHBondContact O-CB 3.37Å; K765-N769 PolarHBondContact O-N 2.86Å; K765-D770 PolarHBondContact O-N 2.94Å
766F90.4Very high84.7Confident1 Ų151 Ų510%0.00427%0.267CS..Iπ-helixtrans-61.3-50.1177.2175.2-100.7000112.4F518 F519 C522 I528 E762 F763 T764 F768 D770 C771F518-F766 AromaticContact CD1-CE1 3.83Å; F518-F766 HydrophobicContact CD1-CE1 3.83Å; F518-F766 AromaticContact CD1-CZ 3.67Å; F518-F766 HydrophobicContact CD1-CZ 3.67Å; F518-F766 HydrophobicContact CE1-CE1 4.32Å; F518-F766 AromaticContact CE1-CZ 3.75Å; F518-F766 HydrophobicContact CE1-CZ 3.75Å; F519-F766 HydrophobicContact CB-CD1 3.73Å; F519-F766 HydrophobicContact CB-CE1 3.69Å; F519-F766 HydrophobicContact CB-CZ 4.46Å; F519-F766 HydrophobicContact CD2-CB 3.62Å; F519-F766 AromaticContact CD2-CD1 3.47Å; F519-F766 HydrophobicContact CD2-CD1 3.47Å; F519-F766 VanDerWaalsContact CD2-CD1 3.47Å; F519-F766 AromaticContact CD2-CD2 3.93Å; F519-F766 HydrophobicContact CD2-CD2 3.93Å; F519-F766 HydrophobicContact CD2-CE1 4.03Å; F519-F766 HydrophobicContact CD2-CE2 4.43Å; F519-F766 AromaticContact CD2-CG 3.39Å; F519-F766 HydrophobicContact CD2-CG 3.39Å; F519-F766 HydrophobicContact CD2-CZ 4.46Å; F519-F766 HydrophobicContact CE2-CB 3.72Å; F519-F766 HydrophobicContact CE2-CD1 4.43Å; F519-F766 HydrophobicContact CE2-CD2 4.45Å; F519-F766 AromaticContact CE2-CG 3.98Å; F519-F766 HydrophobicContact CE2-CG 3.98Å; F519-F766 AromaticContact CG-CD1 4Å; F519-F766 HydrophobicContact CG-CD1 4Å; F519-F766 HydrophobicContact CG-CE1 4.36Å; F519-F766 HydrophobicContact CG-CG 4.35Å; C522-F766 HydrophobicContact CB-CE2 3.94Å; C522-F766 HydrophobicContact CB-CZ 4Å; I528-F766 HydrophobicContact CD1-CD2 3.61Å; I528-F766 HydrophobicContact CD1-CE2 3.89Å; I528-F766 HydrophobicContact CD1-CG 4.44Å; I528-F766 HydrophobicContact CG1-CD2 4.13Å; I528-F766 HydrophobicContact CG1-CE2 4.16Å; E762-F766 WeakPolarHBondContact O-CB 3.1Å; E762-F766 PolarHBondContact O-N 3.41Å; F763-F766 WeakPolarHBondContact O-CB 3.44Å; F763-F766 PolarHBondContact O-N 3.28Å; T764-F766 VanDerWaalsContact C-N 3.32Å; T764-F766 PolarHBondContact O-N 3.43Å; F766-F768 PolarHBondContact O-N 2.97Å; F766-D770 HydrophobicContact CD2-CB 4.04Å; F766-D770 WeakPolarHBondContact O-CB 3.42Å; F766-D770 PolarHBondContact O-N 3.23Å; F766-C771 VanDerWaalsContact CZ-SG 3.51Å; F766-C771 PolarHBondContact O-N 2.8Å
767I88.6Confident82.4Confident2 Ų256.4 Ų56.41%0.0130%0.296CS..Iπ-helixtrans-59.4-52.2-179.2-67.6167.7000110.9E510 W515 F763 T764 C771 S772 G773 P799E510-I767 HydrophobicContact CB-CD1 4.22Å; E510-I767 HydrophobicContact CG-CD1 4.5Å; W515-I767 HydrophobicContact CB-CD1 4.11Å; W515-I767 HydrophobicContact CB-CG1 4.26Å; W515-I767 HydrophobicContact CD2-CG1 4.07Å; W515-I767 HydrophobicContact CD2-CG2 4.46Å; W515-I767 HydrophobicContact CE3-CG1 4.19Å; W515-I767 HydrophobicContact CG-CD1 4.14Å; W515-I767 HydrophobicContact CG-CG1 4.12Å; W515-I767 HydrophobicContact CZ2-CG2 4.35Å; F763-I767 HydrophobicContact CD1-CD1 4.31Å; F763-I767 HydrophobicContact CD2-CD1 4.02Å; F763-I767 HydrophobicContact CD2-CG1 4.16Å; F763-I767 HydrophobicContact CE1-CD1 3.9Å; F763-I767 HydrophobicContact CE2-CD1 3.61Å; F763-I767 HydrophobicContact CE2-CG1 3.87Å; F763-I767 HydrophobicContact CG-CD1 4.36Å; F763-I767 HydrophobicContact CZ-CD1 3.56Å; F763-I767 HydrophobicContact CZ-CG1 4.31Å; F763-I767 WeakPolarHBondContact O-CG1 3.48Å; F763-I767 PolarHBondContact O-N 3.46Å; T764-I767 PolarHBondContact O-N 3.13Å; I767-C771 WeakPolarHBondContact O-CB 3.44Å; I767-S772 PolarHBondContact O-N 2.63Å; I767-G773 PolarHBondContact O-N 3.44Å; I767-P799 HydrophobicContact CG2-CB 4.21Å; I767-P799 HydrophobicContact CG2-CG 3.7Å
768F86.4Confident80.1Confident66 Ų6659.7 Ų59.729%0.28931%0.309SS..Iπ-helixtrans-86.5-38.5-169.3-67.4-68.2000113.4T764 F766 S772 G773 L775 P799T764-F768 HydrophobicContact CG2-CD2 3.65Å; T764-F768 HydrophobicContact CG2-CE2 3.91Å; T764-F768 VanDerWaalsContact O-CD2 3.27Å; T764-F768 WeakPolarHBondContact O-CD2 3.41Å; T764-F768 PolarHBondContact O-N 3.3Å; F766-F768 PolarHBondContact O-N 2.97Å; F768-S772 WeakPolarHBondContact O-CA 3.32Å; F768-G773 WeakPolarHBondContact CD1-O 3.37Å; F768-L775 HydrophobicContact CE1-CD1 4.05Å; F768-L775 HydrophobicContact CE1-CG 4.15Å; F768-L775 HydrophobicContact CZ-CD1 4.12Å; F768-L775 HydrophobicContact CZ-CG 4.28Å; F768-P799 HydrophobicContact CE1-CB 4.23Å; F768-P799 HydrophobicContact CZ-CB 4.37Å; F768-P799 HydrophobicContact CZ-CG 4.2Å
769N84.2Confident77.2Confident117 Ų11763.8 Ų63.863%0.62633%0.331SS*.Iπ-helixtrans-91.6-47.9-175.6-57.4-25.8000111.9K765K765-N769 WeakPolarHBondContact O-CA 3.21Å; K765-N769 WeakPolarHBondContact O-CB 3.37Å; K765-N769 PolarHBondContact O-N 2.86Å
770D82.2Confident74.2Confident65 Ų6569.8 Ų69.835%0.34836%0.359SS..Iπ-helixtrans-82-40.5-174.1-61.4-28.9000111.7K765 F766 F814K765-D770 PolarHBondContact O-N 2.94Å; F766-D770 HydrophobicContact CD2-CB 4.04Å; F766-D770 WeakPolarHBondContact O-CB 3.42Å; F766-D770 PolarHBondContact O-N 3.23Å; D770-F814 WeakPolarHBondContact O-CZ 3.47Å
771C84.7Confident71.2Confident1 Ų177.1 Ų77.11%0.00739%0.386CS..SBendtrans-98.1-11-176.7-690000114.5W515 F766 I767 G773 M805W515-C771 HydrophobicContact CH2-CB 3.78Å; W515-C771 HydrophobicContact CZ3-CB 3.62Å; F766-C771 VanDerWaalsContact CZ-SG 3.51Å; F766-C771 PolarHBondContact O-N 2.8Å; I767-C771 WeakPolarHBondContact O-CB 3.44Å; C771-G773 VanDerWaalsContact C-N 3.28Å; C771-G773 PolarHBondContact O-N 3.23Å; C771-M805 HydrophobicContact CB-SD 3.64Å
772S78Confident68Low55 Ų5577.3 Ų77.339%0.38540%0.401SS..  trans53.641.9-175.1-50.90000113.2I767 F768 T802I767-S772 PolarHBondContact O-N 2.63Å; F768-S772 WeakPolarHBondContact O-CA 3.32Å; S772-T802 PolarHBondContact O-OG1 3.03Å; S772-T802 VanDerWaalsContact O-OG1 3.11Å
773G70Confident64.9Low6 Ų684.8 Ų84.86%0.06243%0.429CS..  trans-60.1137.3172.200000111I767 F768 C771I767-G773 PolarHBondContact O-N 3.44Å; F768-G773 WeakPolarHBondContact CD1-O 3.37Å; C771-G773 VanDerWaalsContact C-N 3.28Å; C771-G773 PolarHBondContact O-N 3.23Å
774L66.5Low61.7Low117 Ų11788.9 Ų88.961%0.61346%0.458SS*.BIsolated β-bridgetrans-110.6134.1177.6-72.8174000109.9P799 L800 T802L774-P799 WeakPolarHBondContact O-CA 3.49Å; L774-L800 PolarHBondContact O-N 3.29Å; L774-T802 HydrophobicContact CB-CG2 3.93Å; L774-T802 HydrophobicContact CD1-CG2 3.61Å; L774-T802 HydrophobicContact CG-CG2 3.74Å
775L64.4Low58.8Low89 Ų8992.6 Ų92.647%0.46648%0.48SS..  trans-69.3136.3164.9-77.6147.7000108.7F768 N777F768-L775 HydrophobicContact CE1-CD1 4.05Å; F768-L775 HydrophobicContact CE1-CG 4.15Å; F768-L775 HydrophobicContact CZ-CD1 4.12Å; F768-L775 HydrophobicContact CZ-CG 4.28Å; L775-N777 PolarHBondContact O-N 3.21Å
776P58.9Low55.7Low51 Ų5197.6 Ų97.633%0.33150%0.503SS..  trans-58.1132.217218.5-25.7000110.4K778 T797P776-K778 PolarHBondContact O-N 3.49Å; P776-K778 VanDerWaalsContact O-N 3.11Å; P776-T797 WeakPolarHBondContact CG-OG1 3.35Å
777N45.5Very low52.6Low130 Ų130103.9 Ų103.970%0.69554%0.541SS*.  trans-59.7114-177-90-22.8000110.9L775 N779L775-N777 PolarHBondContact O-N 3.21Å; N777-N779 PolarHBondContact O-N 2.93Å; N777-N779 VanDerWaalsContact O-N 3.08Å
778K44.9Very low49.6Very low157 Ų157108.5 Ų108.568%0.68357%0.569SS**THydrogen-bonded Turntrans-58.7-20.5175-68.6-171.5179.2-170.90114.1P776 D796P776-K778 PolarHBondContact O-N 3.49Å; P776-K778 VanDerWaalsContact O-N 3.11Å; K778-D796 WeakPolarHBondContact CE-OD1 3.38Å; K778-D796 IonicContact NZ-OD1 2.72Å; K778-D796 PolarHBondContact NZ-OD1 3.37Å; K778-D796 IonicContact NZ-OD2 2.87Å; K778-D796 PolarHBondContact NZ-OD2 3.32Å
779N32.6Very low46.9Very low156 Ų156111 Ų11183%0.83460%0.595SS**THydrogen-bonded Turntrans-107.63-164.3-73.5-5.7000116.4N777N777-N779 PolarHBondContact O-N 2.93Å; N777-N779 VanDerWaalsContact O-N 3.08Å
780Q29.9Very low44.2Very low129 Ų129109 Ų10960%0.60359%0.59SS**SBendtrans-129.4133.3174.3-70.7-176.7-7.500108.9
781Y29.4Very low41.5Very low174 Ų174109.8 Ų109.868%0.68261%0.613SS**  trans82.979.7-171.5-43.7-71.6000114.8Y783Y781-Y783 VanDerWaalsContact CB-CE2 3.49Å; Y781-Y783 HydrophobicContact CD1-CE2 4.3Å; Y781-Y783 HydrophobicContact CD2-CE2 4.14Å; Y781-Y783 HydrophobicContact CG-CD2 4.06Å; Y781-Y783 AromaticContact CG-CE2 3.71Å; Y781-Y783 HydrophobicContact CG-CE2 3.71Å; Y781-Y783 PolarHBondContact O-N 3.48Å
782S25.9Very low38.9Very low128 Ų128111.8 Ų111.890%0.89564%0.635SS**  -52.477.9128.726.40000108.6S784S782-S784 VanDerWaalsContact C-N 3.33Å; S782-S784 PolarHBondContact O-N 3.14Å
783Y26.8Very low36.7Very low195 Ų195116 Ų11677%0.76565%0.652SS**  trans-60.6104.1164.6-96.4-81.1000106.3Y781 T785Y781-Y783 VanDerWaalsContact CB-CE2 3.49Å; Y781-Y783 HydrophobicContact CD1-CE2 4.3Å; Y781-Y783 HydrophobicContact CD2-CE2 4.14Å; Y781-Y783 HydrophobicContact CG-CD2 4.06Å; Y781-Y783 AromaticContact CG-CE2 3.71Å; Y781-Y783 HydrophobicContact CG-CE2 3.71Å; Y781-Y783 PolarHBondContact O-N 3.48Å; Y783-T785 PolarHBondContact O-N 3.4Å; Y783-T785 VanDerWaalsContact O-N 3.07Å
784S24.9Very low35.1Very low87 Ų87122.3 Ų122.361%0.60868%0.679SS**  trans-47.4108172.149.60000111.3S782 F786S782-S784 VanDerWaalsContact C-N 3.33Å; S782-S784 PolarHBondContact O-N 3.14Å; S784-F786 VanDerWaalsContact C-N 3.32Å; S784-F786 PolarHBondContact O-N 3.02Å
785T30.1Very low34Very low132 Ų132118.3 Ų118.381%0.8166%0.66SS**SBendtrans54.515.5134-20.30000120.6Y783Y783-T785 PolarHBondContact O-N 3.4Å; Y783-T785 VanDerWaalsContact O-N 3.07Å
786F25.2Very low33.3Very low191 Ų191118.5 Ų118.584%0.83866%0.661SS**  trans-130.740179.8-75.7-77.8000115.7S784S784-F786 VanDerWaalsContact C-N 3.32Å; S784-F786 PolarHBondContact O-N 3.02Å
787V25.8Very low33.5Very low134 Ų134119.6 Ų119.681%0.81267%0.667SS**SBendtrans-134.488.3149.7-173.10000107.9
788T25.5Very low34.8Very low99 Ų99113.7 Ų113.761%0.60764%0.635SS**  trans30.9112.315354.80000118.8S790T788-S790 PolarHBondContact O-N 3.04Å; T788-S790 PolarHBondContact O-OG 3.07Å
789S28.7Very low36.4Very low118 Ų118106.2 Ų106.283%0.82560%0.603SS**SBendtrans-0.842.7145.961.10000120.6
790S29.4Very low38.9Very low75 Ų75102.2 Ų102.252%0.52458%0.581SS.*  trans-129.395.8170.348.30000104.4T788 G792T788-S790 PolarHBondContact O-N 3.04Å; T788-S790 PolarHBondContact O-OG 3.07Å; S790-G792 PolarHBondContact O-N 3.4Å
791G24.6Very low41.6Very low81 Ų8196.5 Ų96.584%0.83556%0.555SS**  trans-70.753.5-179.400000112.2
792G29.5Very low44.2Very low44 Ų4491.1 Ų91.145%0.45454%0.54SS..  trans-81117.2169.700000108.7S790 F794S790-G792 PolarHBondContact O-N 3.4Å; G792-F794 WeakPolarHBondContact O-CD2 3.21Å; G792-F794 PolarHBondContact O-N 3.14Å
793N32.1Very low47.2Very low142 Ų14290 Ų9076%0.75952%0.519SS*.  trans-60.284.7154.1-77.8-22.3000106.6P795N793-P795 WeakPolarHBondContact O-CD 2.99Å; N793-P795 VanDerWaalsContact O-N 3.13Å
794F36.7Very low50.3Low139 Ų13981.9 Ų81.961%0.6149%0.489SS*.  trans-57.5121.7172-75.1-78.5000106.7G792G792-F794 WeakPolarHBondContact O-CD2 3.21Å; G792-F794 PolarHBondContact O-N 3.14Å
795P42.7Very low53.5Low34 Ų3477.7 Ų77.722%0.22146%0.46CS..  trans-54.7152.6177.6-21.131000110.2L464 Q494 N793 T797L464-P795 HydrophobicContact CD2-CG 3.57Å; Q494-P795 HydrophobicContact CB-CB 4.3Å; Q494-P795 HydrophobicContact CB-CG 3.91Å; N793-P795 WeakPolarHBondContact O-CD 2.99Å; N793-P795 VanDerWaalsContact O-N 3.13Å; P795-T797 PolarHBondContact O-N 2.9Å; P795-T797 VanDerWaalsContact O-N 3.15Å
796D49.3Very low56.5Low92 Ų9272.3 Ų72.349%0.49243%0.426SS..  trans-37.5118.8-177.5-72.9-26.7000111.6K778 W798K778-D796 WeakPolarHBondContact CE-OD1 3.38Å; K778-D796 IonicContact NZ-OD1 2.72Å; K778-D796 PolarHBondContact NZ-OD1 3.37Å; K778-D796 IonicContact NZ-OD2 2.87Å; K778-D796 PolarHBondContact NZ-OD2 3.32Å; D796-W798 PolarHBondContact O-N 3.09Å
797T63.1Low59.6Low75 Ų7563.2 Ų63.246%0.4639%0.386SS..PPolyproline II helixtrans-56.7134.3178.820.80000109P776 P795P776-T797 WeakPolarHBondContact CG-OG1 3.35Å; P795-T797 PolarHBondContact O-N 2.9Å; P795-T797 VanDerWaalsContact O-N 3.15Å
798W73.2Confident62.5Low5 Ų557.3 Ų57.32%0.01935%0.351CS..PPolyproline II helixtrans-46.9139.8176.5-60.6-27.2000110Y490 Q493 Q494 S509 N512 S513 W568 D796 L800Y490-W798 HydrophobicContact CD2-CE3 4.34Å; Y490-W798 AromaticContact CD2-CH2 3.32Å; Y490-W798 HydrophobicContact CD2-CH2 3.32Å; Y490-W798 AromaticContact CD2-CZ2 3.78Å; Y490-W798 HydrophobicContact CD2-CZ2 3.78Å; Y490-W798 AromaticContact CD2-CZ3 3.63Å; Y490-W798 HydrophobicContact CD2-CZ3 3.63Å; Y490-W798 AromaticContact CE2-CD2 3.92Å; Y490-W798 HydrophobicContact CE2-CD2 3.92Å; Y490-W798 AromaticContact CE2-CE2 3.9Å; Y490-W798 AromaticContact CE2-CE3 3.65Å; Y490-W798 HydrophobicContact CE2-CE3 3.65Å; Y490-W798 AromaticContact CE2-CH2 3.45Å; Y490-W798 HydrophobicContact CE2-CH2 3.45Å; Y490-W798 VanDerWaalsContact CE2-CH2 3.45Å; Y490-W798 AromaticContact CE2-CZ2 3.69Å; Y490-W798 HydrophobicContact CE2-CZ2 3.69Å; Y490-W798 AromaticContact CE2-CZ3 3.4Å; Y490-W798 HydrophobicContact CE2-CZ3 3.4Å; Y490-W798 VanDerWaalsContact CE2-CZ3 3.4Å; Q493-W798 HydrophobicContact CB-CZ2 4.38Å; Q493-W798 VanDerWaalsContact OE1-CH2 3.29Å; Q494-W798 VanDerWaalsContact NE2-CZ2 3.28Å; S509-W798 PolarHBondContact O-NE1 3.23Å; N512-W798 HydrophobicContact CB-CZ2 4.23Å; S513-W798 VanDerWaalsContact CA-CZ3 3.44Å; S513-W798 VanDerWaalsContact CB-CZ3 3.45Å; W568-W798 AromaticContact CD1-CE3 3.82Å; W568-W798 HydrophobicContact CD2-CE3 4.37Å; W568-W798 AromaticContact CE2-CE3 3.74Å; W568-W798 HydrophobicContact CG-CE3 4.42Å; W568-W798 HydrophobicContact CZ2-CB 4.03Å; W568-W798 HydrophobicContact CZ2-CE3 4.19Å; W568-W798 AromaticContact NE1-CE3 3.43Å; D796-W798 PolarHBondContact O-N 3.09Å; W798-L800 PolarHBondContact O-N 3.22Å
799P79.2Confident65.2Low0 Ų057.3 Ų57.30%035%0.347CS..PPolyproline II helixtrans-54.6138.9177.321.9-31000109.3E510 W515 W568 I767 F768 L774E510-P799 HydrophobicContact CG-CG 4.5Å; W515-P799 PolarHBondContact NE1-O 2.86Å; W568-P799 WeakPolarHBondContact CZ2-O 3.4Å; I767-P799 HydrophobicContact CG2-CB 4.21Å; I767-P799 HydrophobicContact CG2-CG 3.7Å; F768-P799 HydrophobicContact CE1-CB 4.23Å; F768-P799 HydrophobicContact CZ-CB 4.37Å; F768-P799 HydrophobicContact CZ-CG 4.2Å; L774-P799 WeakPolarHBondContact O-CA 3.49Å
800L84.5Confident67.5Low73 Ų7352.4 Ų52.438%0.38232%0.315SS..BIsolated β-bridgetrans-93.5142.9-179.4-63.3175.7000109.9W568 P592 L774 W798 T802W568-L800 HydrophobicContact CD2-CD2 4.42Å; W568-L800 HydrophobicContact CG-CD2 4.4Å; P592-L800 HydrophobicContact CG-CD2 4.07Å; L774-L800 PolarHBondContact O-N 3.29Å; W798-L800 PolarHBondContact O-N 3.22Å; L800-T802 PolarHBondContact O-N 3.11Å
801P87.3Confident70Confident9 Ų953 Ų536%0.05832%0.316CS..PPolyproline II helixtrans-64.5133.3173.128.2-34.5000109.8W515 L543 T545 P592 M805W515-P801 HydrophobicContact CH2-CB 4.04Å; W515-P801 HydrophobicContact CZ2-CB 3.88Å; L543-P801 HydrophobicContact CD1-CG 4.36Å; L543-P801 HydrophobicContact CD2-CB 4.19Å; L543-P801 HydrophobicContact CG-CB 4.23Å; L543-P801 HydrophobicContact CG-CG 4.31Å; T545-P801 HydrophobicContact CG2-CB 4.18Å; T545-P801 HydrophobicContact CG2-CG 4.38Å; T545-P801 WeakPolarHBondContact CG2-O 3.28Å; P592-P801 HydrophobicContact CB-CG 3.6Å; P592-P801 HydrophobicContact CG-CG 3.98Å; P801-M805 HydrophobicContact CB-CE 3.72Å
802T84.8Confident72.9Confident61 Ų6151.3 Ų51.337%0.37429%0.288SS..SBendtrans-97.9-14.7179.9560000112.9S772 L774 L800S772-T802 PolarHBondContact O-OG1 3.03Å; S772-T802 VanDerWaalsContact O-OG1 3.11Å; L774-T802 HydrophobicContact CB-CG2 3.93Å; L774-T802 HydrophobicContact CD1-CG2 3.61Å; L774-T802 HydrophobicContact CG-CG2 3.74Å; L800-T802 PolarHBondContact O-N 3.11Å
803K88.7Confident75.6Confident103 Ų10351 Ų5145%0.44828%0.278SS..SBendtrans-136.9152.5-179.4-62.9175.8-174.4167.60109.7T545 M805 F814T545-K803 VanDerWaalsContact CG2-C 3.42Å; T545-K803 WeakPolarHBondContact CG2-O 3.47Å; K803-M805 WeakPolarHBondContact O-CE 3.48Å; K803-F814 HydrophobicContact CB-CD1 4.34Å; K803-F814 HydrophobicContact CD-CD1 4.08Å
804N91.5Very high78Confident25 Ų2549 Ų4913%0.13426%0.263CS..  trans-74.1131.1169.1-62.4-48.3000108.2L543 T544 T545 T548 F814 I815L543-N804 WeakPolarHBondContact O-CA 3.45Å; T544-N804 WeakPolarHBondContact CA-OD1 3.45Å; T545-N804 PolarHBondContact N-OD1 3.45Å; T545-N804 PolarHBondContact OG1-OD1 2.95Å; T548-N804 WeakPolarHBondContact CG2-ND2 3.27Å; T548-N804 PolarHBondContact OG1-ND2 3.17Å; T548-N804 VanDerWaalsContact OG1-ND2 3.13Å; T548-N804 PolarHBondContact OG1-OD1 2.7Å; N804-F814 CarbonylContact O-C 3.52Å; N804-F814 WeakPolarHBondContact O-CA 3.46Å; N804-I815 HydrophobicContact CB-CB 3.94Å; N804-I815 PolarHBondContact O-N 3.47Å
805M92.6Very high80.1Confident0 Ų048.4 Ų48.40%027%0.265CS..EExtended strand (participates in β ladder)trans-132.7134.3-173.9-62.3166.3-76.500109.7W515 F518 L542 L543 C771 P801 K803 S813 F814W515-M805 HydrophobicContact CH2-CE 3.54Å; W515-M805 HydrophobicContact CH2-SD 4.33Å; W515-M805 HydrophobicContact CZ3-CE 3.64Å; W515-M805 HydrophobicContact CZ3-SD 4.22Å; F518-M805 HydrophobicContact CE1-CB 3.85Å; F518-M805 HydrophobicContact CE1-SD 4.29Å; F518-M805 HydrophobicContact CE2-CB 4.22Å; F518-M805 WeakPolarHBondContact CE2-O 3.17Å; F518-M805 HydrophobicContact CZ-CB 3.48Å; F518-M805 VanDerWaalsContact CZ-CB 3.48Å; L542-M805 CarbonylContact C-O 3.6Å; L542-M805 WeakPolarHBondContact CA-O 3.45Å; L542-M805 WeakPolarHBondContact CD1-O 3.47Å; L543-M805 HydrophobicContact CB-CE 4.43Å; L543-M805 HydrophobicContact CD2-CE 3.68Å; L543-M805 HydrophobicContact CG-CE 4.08Å; L543-M805 PolarHBondContact N-O 3.22Å; L543-M805 PolarHBondContact O-N 2.86Å; C771-M805 HydrophobicContact CB-SD 3.64Å; P801-M805 HydrophobicContact CB-CE 3.72Å; K803-M805 WeakPolarHBondContact O-CE 3.48Å; M805-S813 CarbonylContact C-O 3.44Å; M805-S813 WeakPolarHBondContact CA-O 3.44Å; M805-F814 HydrophobicContact CG-CD1 3.67Å; M805-F814 HydrophobicContact CG-CE1 3.8Å; M805-F814 HydrophobicContact SD-CD1 4.47Å; M805-F814 HydrophobicContact SD-CE1 4.06Å
806M92.2Very high82Confident18 Ų1849.1 Ų49.19%0.08927%0.267CS..EExtended strand (participates in β ladder)trans-130.5129.6-179.5-175.5176.763.500110.4T541 L542 P554 P556 A808 S813 I815T541-M806 WeakPolarHBondContact O-CA 3.34Å; L542-M806 HydrophobicContact CB-CG 4.35Å; L542-M806 HydrophobicContact CD1-CB 3.9Å; L542-M806 HydrophobicContact CD1-CG 4.41Å; P554-M806 HydrophobicContact CB-SD 3.98Å; P556-M806 HydrophobicContact CB-SD 4.47Å; P556-M806 HydrophobicContact CG-CE 3.61Å; P556-M806 HydrophobicContact CG-SD 3.94Å; M806-A808 HydrophobicContact CG-CB 4.36Å; M806-S813 PolarHBondContact N-O 3.12Å; M806-S813 PolarHBondContact O-N 3.2Å; M806-S813 PolarHBondContact O-OG 3.41Å; M806-S813 VanDerWaalsContact O-OG 3.11Å; M806-I815 HydrophobicContact CB-CD1 3.79Å; M806-I815 HydrophobicContact CB-CG1 4.43Å; M806-I815 HydrophobicContact CE-CD1 4.11Å; M806-I815 HydrophobicContact SD-CD1 4.14Å
807C90.4Very high83.7Confident1 Ų146.8 Ų46.81%0.00726%0.255CS..EExtended strand (participates in β ladder)trans-106.1109.8171.7174.90000108.2F518 C522 S525 P540 T541F518-C807 HydrophobicContact CE2-CB 4Å; F518-C807 HydrophobicContact CZ-CB 4.27Å; C522-C807 VanDerWaalsContact SG-CB 3.59Å; S525-C807 PolarHBondContact OG-SG 2.83Å; P540-C807 WeakPolarHBondContact CA-O 3.49Å; T541-C807 PolarHBondContact N-O 2.92Å; T541-C807 PolarHBondContact O-N 3.31Å
808A87.4Confident84.8Confident9 Ų945.3 Ų45.37%0.07424%0.244CC..EExtended strand (participates in β ladder)trans-150141.8177.900000110.6P540 P556 M806 G810 V811P540-A808 HydrophobicContact CB-CB 3.93Å; P540-A808 HydrophobicContact CG-CB 4.27Å; P556-A808 HydrophobicContact CB-CB 3.54Å; P556-A808 HydrophobicContact CG-CB 3.89Å; M806-A808 HydrophobicContact CG-CB 4.36Å; A808-G810 PolarHBondContact O-N 2.94Å; A808-V811 PolarHBondContact N-O 3.06Å; A808-V811 VanDerWaalsContact N-O 3.1Å; A808-V811 PolarHBondContact O-N 3.38Å
809N80.7Confident85.5Confident99 Ų9947.6 Ų47.653%0.52926%0.257SS..THydrogen-bonded Turntrans51.339.2177.9-56.3-17.3000113V811N809-V811 PolarHBondContact O-N 3.27Å
810G76.8Confident85.9Confident15 Ų1550.6 Ų50.616%0.15527%0.273CS..THydrogen-bonded Turntrans63.522-176.600000115.7S525 T527 A808S525-G810 WeakPolarHBondContact O-CA 3.44Å; T527-G810 WeakPolarHBondContact CG2-O 3.43Å; A808-G810 PolarHBondContact O-N 2.94Å
811V81.7Confident86Confident89 Ų8949.1 Ų49.154%0.53927%0.266SS..EExtended strand (participates in β ladder)trans-119.7127.3172.8-176.80000110.6A808 N809A808-V811 PolarHBondContact N-O 3.06Å; A808-V811 VanDerWaalsContact N-O 3.1Å; A808-V811 PolarHBondContact O-N 3.38Å; N809-V811 PolarHBondContact O-N 3.27Å
812L85.6Confident85.9Confident45 Ų4552 Ų5224%0.23628%0.28CS..EExtended strand (participates in β ladder)trans-86.2120.7165.7176.862.8000108.9F518 T527 F814F518-L812 HydrophobicContact CE1-CD1 3.92Å; F518-L812 HydrophobicContact CZ-CD1 3.58Å; T527-L812 HydrophobicContact CG2-CB 4.42Å; L812-F814 HydrophobicContact CD2-CZ 4.31Å
813S86.1Confident86Confident36 Ų3651.3 Ų51.325%0.25227%0.273SS..EExtended strand (participates in β ladder)trans-123.7143.3179.957.90000111M805 M806M805-S813 CarbonylContact C-O 3.44Å; M805-S813 WeakPolarHBondContact CA-O 3.44Å; M806-S813 PolarHBondContact N-O 3.12Å; M806-S813 PolarHBondContact O-N 3.2Å; M806-S813 PolarHBondContact O-OG 3.41Å; M806-S813 VanDerWaalsContact O-OG 3.11Å
814F84.3Confident85.7Confident100 Ų10047 Ų4744%0.43926%0.259SS..EExtended strand (participates in β ladder)trans-103123.4172.8-60.3-88.6000107.8D770 K803 N804 M805 L812D770-F814 WeakPolarHBondContact O-CZ 3.47Å; K803-F814 HydrophobicContact CB-CD1 4.34Å; K803-F814 HydrophobicContact CD-CD1 4.08Å; N804-F814 CarbonylContact O-C 3.52Å; N804-F814 WeakPolarHBondContact O-CA 3.46Å; M805-F814 HydrophobicContact CG-CD1 3.67Å; M805-F814 HydrophobicContact CG-CE1 3.8Å; M805-F814 HydrophobicContact SD-CD1 4.47Å; M805-F814 HydrophobicContact SD-CE1 4.06Å; L812-F814 HydrophobicContact CD2-CZ 4.31Å
815I79.7Confident85.2Confident127 Ų12749 Ų4965%0.65127%0.27SS*.  trans-990-173.5-57.5178000111L542 N804 M806L542-I815 HydrophobicContact CD1-CD1 3.84Å; N804-I815 HydrophobicContact CB-CB 3.94Å; N804-I815 PolarHBondContact O-N 3.47Å; M806-I815 HydrophobicContact CB-CD1 3.79Å; M806-I815 HydrophobicContact CB-CG1 4.43Å; M806-I815 HydrophobicContact CE-CD1 4.11Å; M806-I815 HydrophobicContact SD-CD1 4.14Å

Retrieved 815 of 815 residues in 555.1 ms (Link to these results)

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