A0A096MHK9_POEFO Loading...

Glomulin, FKBP associated protein b

AlphaFold DB , UniProt , Accession A0A096MHK9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 588 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
1M59.8Low78.2Confident140 Ų14096.1 Ų96.169%0.6947%0.466SS*.  0147.50-159.9156.664.500107.5E3 V6 V32 A35M1-E3 PolarHBondContact O-N 3.18Å; M1-V6 HydrophobicContact CB-CG2 4.38Å; M1-V6 HydrophobicContact CE-CB 4.33Å; M1-V6 HydrophobicContact CE-CG1 4.14Å; M1-V6 HydrophobicContact CE-CG2 3.24Å; M1-V6 HydrophobicContact CG-CG2 3.94Å; M1-V6 HydrophobicContact SD-CG2 4.24Å; M1-V32 HydrophobicContact CE-CB 3.91Å; M1-V32 HydrophobicContact CE-CG1 3.66Å; M1-V32 HydrophobicContact CE-CG2 3.68Å; M1-V32 HydrophobicContact SD-CG2 4.18Å; M1-A35 HydrophobicContact CE-CB 4.4Å; M1-A35 HydrophobicContact SD-CB 4.29Å
2N71.4Confident79.1Confident90 Ų9096.7 Ų96.748%0.48146%0.46SS..  trans-73.3116.4179.3-173.48.4000109.4D4 K5 V6N2-D4 PolarHBondContact O-N 3.29Å; N2-K5 HydrophobicContact CB-CB 4.45Å; N2-K5 HydrophobicContact CB-CD 4.41Å; N2-K5 HydrophobicContact CB-CG 4.3Å; N2-K5 WeakPolarHBondContact O-CB 3.47Å; N2-K5 PolarHBondContact O-N 3.37Å; N2-V6 WeakPolarHBondContact O-CG2 3.18Å; N2-V6 PolarHBondContact O-N 3.47Å
3E71.9Confident79.8Confident134 Ų13489.8 Ų89.863%0.62643%0.426SS*.Hα-helixtrans-54-39.7-174.9-69.7-179170.800112.5M1 K5 V6 H7M1-E3 PolarHBondContact O-N 3.18Å; E3-K5 VanDerWaalsContact C-N 3.3Å; E3-K5 PolarHBondContact O-N 3.49Å; E3-V6 WeakPolarHBondContact O-CB 3.27Å; E3-V6 PolarHBondContact O-N 3.41Å; E3-V6 VanDerWaalsContact O-N 3.09Å; E3-H7 PolarHBondContact O-CD2 3.13Å; E3-H7 PolarHBondContact O-N 3.31Å
4D73.9Confident80.3Confident108 Ų10890.5 Ų90.558%0.57842%0.423SS*.Hα-helixtrans-60.2-39.6178.7-64.8-30.9000112.3N2 V6 H7 E8N2-D4 PolarHBondContact O-N 3.29Å; D4-V6 VanDerWaalsContact C-N 3.35Å; D4-V6 PolarHBondContact O-N 3.25Å; D4-H7 PolarHBondContact O-N 3.23Å; D4-E8 WeakPolarHBondContact O-CG 3.39Å; D4-E8 PolarHBondContact O-N 3.21Å
5K78.1Confident80.5Confident131 Ų13193.7 Ų93.757%0.5744%0.438SS*.Hα-helixtrans-68.9-34.4177.4-72.4-172173.7-174.60112N2 E3 I9N2-K5 HydrophobicContact CB-CB 4.45Å; N2-K5 HydrophobicContact CB-CD 4.41Å; N2-K5 HydrophobicContact CB-CG 4.3Å; N2-K5 WeakPolarHBondContact O-CB 3.47Å; N2-K5 PolarHBondContact O-N 3.37Å; E3-K5 VanDerWaalsContact C-N 3.3Å; E3-K5 PolarHBondContact O-N 3.49Å; K5-I9 WeakPolarHBondContact O-CD1 3.34Å; K5-I9 WeakPolarHBondContact O-CG1 3.44Å; K5-I9 PolarHBondContact O-N 3.32Å; K5-I9 VanDerWaalsContact O-N 3.11Å
6V80.8Confident80.8Confident25 Ų2590.1 Ų90.115%0.15242%0.424CS..Hα-helixtrans-68.4-41.4177.7-169.40000110.1M1 N2 E3 D4 I9 I10 V32M1-V6 HydrophobicContact CB-CG2 4.38Å; M1-V6 HydrophobicContact CE-CB 4.33Å; M1-V6 HydrophobicContact CE-CG1 4.14Å; M1-V6 HydrophobicContact CE-CG2 3.24Å; M1-V6 HydrophobicContact CG-CG2 3.94Å; M1-V6 HydrophobicContact SD-CG2 4.24Å; N2-V6 WeakPolarHBondContact O-CG2 3.18Å; N2-V6 PolarHBondContact O-N 3.47Å; E3-V6 WeakPolarHBondContact O-CB 3.27Å; E3-V6 PolarHBondContact O-N 3.41Å; E3-V6 VanDerWaalsContact O-N 3.09Å; D4-V6 VanDerWaalsContact C-N 3.35Å; D4-V6 PolarHBondContact O-N 3.25Å; V6-I9 PolarHBondContact O-N 3.06Å; V6-I10 HydrophobicContact CG1-CD1 3.91Å; V6-I10 HydrophobicContact CG1-CG1 4.48Å; V6-I10 VanDerWaalsContact O-CG1 3.3Å; V6-I10 WeakPolarHBondContact O-CG1 3.48Å; V6-I10 PolarHBondContact O-N 3.47Å; V6-V32 HydrophobicContact CG1-CG1 3.87Å
7H82.6Confident80.7Confident124 Ų12489.2 Ų89.257%0.57443%0.428SS*.Hα-helixtrans-64-41.6175.9-77.7-55.1000112.7E3 D4 I9 I10 Q11E3-H7 PolarHBondContact O-CD2 3.13Å; E3-H7 PolarHBondContact O-N 3.31Å; D4-H7 PolarHBondContact O-N 3.23Å; H7-I9 VanDerWaalsContact C-N 3.35Å; H7-I9 PolarHBondContact O-N 3.49Å; H7-I10 PolarHBondContact O-N 3.21Å; H7-Q11 VanDerWaalsContact O-CB 3.31Å; H7-Q11 WeakPolarHBondContact O-CB 3.43Å; H7-Q11 PolarHBondContact O-N 3.46Å
8E83.9Confident80.6Confident139 Ų13990.7 Ų90.765%0.6543%0.434SS*.Hα-helixtrans-60.5-42.4173.7-75.4179.1174.200112.3D4 Q11 R12D4-E8 WeakPolarHBondContact O-CG 3.39Å; D4-E8 PolarHBondContact O-N 3.21Å; E8-Q11 PolarHBondContact O-N 2.91Å; E8-R12 PolarHBondContact O-N 3.47Å
9I86.1Confident80.5Confident48 Ų4895.3 Ų95.325%0.24646%0.455CS..Hα-helixtrans-65-46.8177.8-68.6165.2000110.9K5 V6 H7 Q11 R12 W13K5-I9 WeakPolarHBondContact O-CD1 3.34Å; K5-I9 WeakPolarHBondContact O-CG1 3.44Å; K5-I9 PolarHBondContact O-N 3.32Å; K5-I9 VanDerWaalsContact O-N 3.11Å; V6-I9 PolarHBondContact O-N 3.06Å; H7-I9 VanDerWaalsContact C-N 3.35Å; H7-I9 PolarHBondContact O-N 3.49Å; I9-Q11 VanDerWaalsContact C-N 3.32Å; I9-Q11 PolarHBondContact O-N 2.95Å; I9-R12 WeakPolarHBondContact O-CB 3.5Å; I9-R12 PolarHBondContact O-N 2.97Å; I9-W13 HydrophobicContact CG2-CD2 3.83Å; I9-W13 HydrophobicContact CG2-CE3 4.05Å; I9-W13 HydrophobicContact CG2-CH2 3.45Å; I9-W13 VanDerWaalsContact CG2-CH2 3.45Å; I9-W13 HydrophobicContact CG2-CZ2 3.21Å; I9-W13 HydrophobicContact CG2-CZ3 3.87Å; I9-W13 PolarHBondContact O-N 3.36Å
10I85.7Confident80.5Confident21 Ų2198.6 Ų98.611%0.10846%0.464CS..Hα-helixtrans-61.8-42.1177.8-69.3167.5000110.8V6 H7 W13 R14 F48 I57V6-I10 HydrophobicContact CG1-CD1 3.91Å; V6-I10 HydrophobicContact CG1-CG1 4.48Å; V6-I10 VanDerWaalsContact O-CG1 3.3Å; V6-I10 WeakPolarHBondContact O-CG1 3.48Å; V6-I10 PolarHBondContact O-N 3.47Å; H7-I10 PolarHBondContact O-N 3.21Å; I10-W13 HydrophobicContact CG1-CE3 4.24Å; I10-W13 HydrophobicContact CG1-CZ3 4.26Å; I10-W13 PolarHBondContact O-N 3.42Å; I10-R14 WeakPolarHBondContact O-CG 3.46Å; I10-R14 PolarHBondContact O-N 3.03Å; I10-F48 HydrophobicContact CD1-CD2 4.07Å; I10-F48 HydrophobicContact CD1-CE2 3.8Å; I10-F48 HydrophobicContact CG1-CE2 3.96Å; I10-F48 HydrophobicContact CG2-CE2 3.91Å; I10-I57 HydrophobicContact CG2-CD1 4.41Å
11Q85.9Confident80.7Confident97 Ų9794.9 Ų94.945%0.45345%0.447SS..Hα-helixtrans-60.1-46.5176.9-172.182.520.300110.8H7 E8 I9 W13 R14 E15H7-Q11 VanDerWaalsContact O-CB 3.31Å; H7-Q11 WeakPolarHBondContact O-CB 3.43Å; H7-Q11 PolarHBondContact O-N 3.46Å; E8-Q11 PolarHBondContact O-N 2.91Å; I9-Q11 VanDerWaalsContact C-N 3.32Å; I9-Q11 PolarHBondContact O-N 2.95Å; Q11-W13 VanDerWaalsContact C-N 3.33Å; Q11-W13 PolarHBondContact O-N 2.85Å; Q11-R14 PolarHBondContact O-N 2.82Å; Q11-E15 PolarHBondContact NE2-OE1 3.23Å; Q11-E15 PolarHBondContact O-N 3.23Å
12R88.8Confident81.9Confident103 Ų10394 Ų9439%0.38944%0.44SS..Hα-helixtrans-56.9-45.5174.7177.3-170.2162.3-134.8-15.8111.6E8 I9 R14 E15 T16 D25E8-R12 PolarHBondContact O-N 3.47Å; I9-R12 WeakPolarHBondContact O-CB 3.5Å; I9-R12 PolarHBondContact O-N 2.97Å; R12-R14 VanDerWaalsContact C-N 3.34Å; R12-R14 PolarHBondContact O-N 2.97Å; R12-E15 PolarHBondContact O-N 2.9Å; R12-T16 WeakPolarHBondContact O-CB 3.5Å; R12-T16 PolarHBondContact O-N 3.11Å; R12-T16 VanDerWaalsContact O-N 3.12Å; R12-T16 PolarHBondContact O-OG1 3.4Å; R12-D25 IonicContact CZ-OD1 3.56Å; R12-D25 IonicContact NH1-OD1 3.72Å; R12-D25 PolarHBondContact NH1-OD1 3.42Å; R12-D25 IonicContact NH2-OD1 3.01Å; R12-D25 PolarHBondContact NH2-OD1 3.06Å; R12-D25 IonicContact NH2-OD2 2.79Å; R12-D25 PolarHBondContact NH2-OD2 3.13Å
13W88.4Confident82.5Confident7 Ų794.6 Ų94.63%0.02745%0.448CS..Hα-helixtrans-64.5-36.4179.1-65.9-28.5000112.9I9 I10 Q11 E15 T16 D25 Q28 I29 I57 M61I9-W13 HydrophobicContact CG2-CD2 3.83Å; I9-W13 HydrophobicContact CG2-CE3 4.05Å; I9-W13 HydrophobicContact CG2-CH2 3.45Å; I9-W13 VanDerWaalsContact CG2-CH2 3.45Å; I9-W13 HydrophobicContact CG2-CZ2 3.21Å; I9-W13 HydrophobicContact CG2-CZ3 3.87Å; I9-W13 PolarHBondContact O-N 3.36Å; I10-W13 HydrophobicContact CG1-CE3 4.24Å; I10-W13 HydrophobicContact CG1-CZ3 4.26Å; I10-W13 PolarHBondContact O-N 3.42Å; Q11-W13 VanDerWaalsContact C-N 3.33Å; Q11-W13 PolarHBondContact O-N 2.85Å; W13-E15 PolarHBondContact O-N 3.42Å; W13-T16 PolarHBondContact O-N 3.03Å; W13-D25 PolarHBondContact NE1-OD1 3.1Å; W13-Q28 HydrophobicContact CH2-CB 4.33Å; W13-Q28 HydrophobicContact CZ2-CB 3.73Å; W13-I29 HydrophobicContact CH2-CB 3.8Å; W13-I29 HydrophobicContact CH2-CG1 4.22Å; W13-I29 HydrophobicContact CZ2-CB 4.32Å; W13-I29 HydrophobicContact CZ3-CB 4.19Å; W13-I29 HydrophobicContact CZ3-CD1 4.48Å; W13-I29 HydrophobicContact CZ3-CG1 4.14Å; W13-I57 HydrophobicContact CB-CD1 3.64Å; W13-I57 HydrophobicContact CB-CG1 3.96Å; W13-I57 HydrophobicContact CE3-CG2 4.31Å; W13-M61 HydrophobicContact CB-CE 4.1Å; W13-M61 HydrophobicContact CD2-CE 3.81Å; W13-M61 HydrophobicContact CE3-CE 4.32Å; W13-M61 HydrophobicContact CG-CE 3.71Å
14R86.3Confident83.2Confident100 Ų10093.5 Ų93.538%0.37744%0.443SS..Hα-helixtrans-63.3-31.7176.1-71.7-179.4-178.8159.4-4.6112.7I10 Q11 R12 D51 N54 I57I10-R14 WeakPolarHBondContact O-CG 3.46Å; I10-R14 PolarHBondContact O-N 3.03Å; Q11-R14 PolarHBondContact O-N 2.82Å; R12-R14 VanDerWaalsContact C-N 3.34Å; R12-R14 PolarHBondContact O-N 2.97Å; R14-D51 IonicContact NH2-OD2 2.71Å; R14-N54 PolarHBondContact NE-OD1 3.07Å; R14-N54 PolarHBondContact NH2-OD1 3.01Å; R14-I57 HydrophobicContact CG-CD1 3.64Å; R14-I57 HydrophobicContact CG-CG1 4.5Å
15E84.6Confident83.8Confident138 Ų13888.5 Ų88.565%0.64542%0.416SS*.Hα-helixtrans-91.3-11.3-176.8-66.3172.6-166.100112.8Q11 R12 W13Q11-E15 PolarHBondContact NE2-OE1 3.23Å; Q11-E15 PolarHBondContact O-N 3.23Å; R12-E15 PolarHBondContact O-N 2.9Å; W13-E15 PolarHBondContact O-N 3.42Å
16T84.3Confident84.1Confident36 Ų3686.7 Ų86.722%0.22141%0.406CS..SBendtrans-95.8120.7-178-540000110.6R12 W13 L21R12-T16 WeakPolarHBondContact O-CB 3.5Å; R12-T16 PolarHBondContact O-N 3.11Å; R12-T16 VanDerWaalsContact O-N 3.12Å; R12-T16 PolarHBondContact O-OG1 3.4Å; W13-T16 PolarHBondContact O-N 3.03Å; T16-L21 HydrophobicContact CG2-CD2 3.96Å; T16-L21 HydrophobicContact CG2-CG 4.47Å
17P80.1Confident84.4Confident76 Ų7689.7 Ų89.749%0.49442%0.419SS..  trans-64.2151.2172.8-16.728.4000112.1E19 Y20P17-E19 VanDerWaalsContact C-N 3.27Å; P17-E19 PolarHBondContact O-N 3.49Å; P17-E19 VanDerWaalsContact O-N 3.17Å; P17-Y20 HydrophobicContact CB-CD2 3.9Å; P17-Y20 HydrophobicContact CB-CE2 4.42Å; P17-Y20 HydrophobicContact CG-CD2 3.83Å; P17-Y20 HydrophobicContact CG-CE2 4.22Å; P17-Y20 PolarHBondContact O-N 2.71Å
18E77.8Confident84.8Confident115 Ų11586.8 Ų86.854%0.53741%0.406SS..G310 helixtrans-53-39.9-175.2-175.3170.9-17000113.6Y20 L21E18-Y20 PolarHBondContact O-N 3.23Å; E18-Y20 VanDerWaalsContact O-N 3.13Å; E18-L21 WeakPolarHBondContact O-CB 3.39Å; E18-L21 PolarHBondContact O-N 2.84Å
19E78.4Confident85.1Confident179 Ų17980.4 Ų80.484%0.83638%0.376SS*.G310 helixtrans-63.8-16.9179.5-61176.7-176.300114.3P17P17-E19 VanDerWaalsContact C-N 3.27Å; P17-E19 PolarHBondContact O-N 3.49Å; P17-E19 VanDerWaalsContact O-N 3.17Å
20Y82Confident85.3Confident161 Ų16183.2 Ų83.263%0.63138%0.383SS*.G310 helixtrans-107.41.4-179-61.6-70.3000113.5P17 E18P17-Y20 HydrophobicContact CB-CD2 3.9Å; P17-Y20 HydrophobicContact CB-CE2 4.42Å; P17-Y20 HydrophobicContact CG-CD2 3.83Å; P17-Y20 HydrophobicContact CG-CE2 4.22Å; P17-Y20 PolarHBondContact O-N 2.71Å; E18-Y20 PolarHBondContact O-N 3.23Å; E18-Y20 VanDerWaalsContact O-N 3.13Å
21L83.8Confident85.5Confident20 Ų2086.3 Ų86.311%0.10540%0.4CS..  trans-70.6130.6174.7-66.6172.4000110T16 E18 D25 Y26 M61T16-L21 HydrophobicContact CG2-CD2 3.96Å; T16-L21 HydrophobicContact CG2-CG 4.47Å; E18-L21 WeakPolarHBondContact O-CB 3.39Å; E18-L21 PolarHBondContact O-N 2.84Å; L21-D25 HydrophobicContact CD2-CB 4.46Å; L21-Y26 HydrophobicContact CB-CE2 4.1Å; L21-M61 HydrophobicContact CD1-CE 4.21Å; L21-M61 HydrophobicContact CD1-CG 3.82Å; L21-M61 HydrophobicContact CD1-SD 3.86Å; L21-M61 HydrophobicContact CD2-CE 4.06Å; L21-M61 HydrophobicContact CD2-SD 4.02Å; L21-M61 HydrophobicContact CG-SD 4.4Å
22K85.7Confident85.7Confident123 Ų12382.9 Ų82.954%0.53539%0.386SS..  trans-97.2158.6-177.6-55.6-177178.8178.90111.2E24 D25 Y26K22-E24 WeakPolarHBondContact CB-OE2 3.45Å; K22-E24 PolarHBondContact O-N 3.24Å; K22-E24 VanDerWaalsContact O-N 3.07Å; K22-D25 PolarHBondContact N-OD2 2.97Å; K22-D25 WeakPolarHBondContact O-CA 3.25Å; K22-D25 WeakPolarHBondContact O-CB 3.28Å; K22-D25 PolarHBondContact O-N 3.31Å; K22-Y26 VanDerWaalsContact O-CD2 3.27Å; K22-Y26 WeakPolarHBondContact O-CD2 3.42Å
23P82.4Confident85.8Confident102 Ų10278 Ų7866%0.66237%0.368SS*.Hα-helixtrans-51.1-33.5174.3-27.736.2000113.7D25 Y26 Q27P23-D25 VanDerWaalsContact C-N 3.26Å; P23-D25 PolarHBondContact O-N 3.24Å; P23-Y26 PolarHBondContact O-N 3.17Å; P23-Q27 PolarHBondContact O-N 3.16Å; P23-Q27 VanDerWaalsContact O-N 3.15Å
24E86.6Confident85.8Confident111 Ų11179.3 Ų79.352%0.51938%0.38SS..Hα-helixtrans-64.6-30.1176.2-59.379.3-167.600112.8K22 Q27 Q28K22-E24 WeakPolarHBondContact CB-OE2 3.45Å; K22-E24 PolarHBondContact O-N 3.24Å; K22-E24 VanDerWaalsContact O-N 3.07Å; E24-Q27 PolarHBondContact O-N 2.86Å; E24-Q28 WeakPolarHBondContact O-CB 3.21Å; E24-Q28 WeakPolarHBondContact O-CG 3.32Å; E24-Q28 PolarHBondContact O-N 3.42Å
25D86.9Confident85.9Confident2 Ų276.7 Ų76.71%0.01138%0.379CS..Hα-helixtrans-70.8-36.8177.5-61.2-50.8000110.9R12 W13 L21 K22 P23 Q28 I29 M61R12-D25 IonicContact CZ-OD1 3.56Å; R12-D25 IonicContact NH1-OD1 3.72Å; R12-D25 PolarHBondContact NH1-OD1 3.42Å; R12-D25 IonicContact NH2-OD1 3.01Å; R12-D25 PolarHBondContact NH2-OD1 3.06Å; R12-D25 IonicContact NH2-OD2 2.79Å; R12-D25 PolarHBondContact NH2-OD2 3.13Å; W13-D25 PolarHBondContact NE1-OD1 3.1Å; L21-D25 HydrophobicContact CD2-CB 4.46Å; K22-D25 PolarHBondContact N-OD2 2.97Å; K22-D25 WeakPolarHBondContact O-CA 3.25Å; K22-D25 WeakPolarHBondContact O-CB 3.28Å; K22-D25 PolarHBondContact O-N 3.31Å; P23-D25 VanDerWaalsContact C-N 3.26Å; P23-D25 PolarHBondContact O-N 3.24Å; D25-Q28 PolarHBondContact O-N 3.49Å; D25-I29 PolarHBondContact O-N 3.3Å; D25-M61 HydrophobicContact CB-SD 3.98Å
26Y85.8Confident86.1Confident93 Ų9371.5 Ų71.537%0.36536%0.358SS..Hα-helixtrans-66.3-38.2173.2-66.6-92.1000112.4L21 K22 P23 I29 R30 M61L21-Y26 HydrophobicContact CB-CE2 4.1Å; K22-Y26 VanDerWaalsContact O-CD2 3.27Å; K22-Y26 WeakPolarHBondContact O-CD2 3.42Å; P23-Y26 PolarHBondContact O-N 3.17Å; Y26-I29 WeakPolarHBondContact O-CG2 3.41Å; Y26-R30 PolarHBondContact O-N 3.3Å; Y26-M61 HydrophobicContact CD1-CB 4.23Å; Y26-M61 HydrophobicContact CD1-CG 3.9Å; Y26-M61 HydrophobicContact CE1-CB 4.29Å; Y26-M61 HydrophobicContact CE1-CG 3.7Å; Y26-M61 HydrophobicContact CG-CG 4.49Å
27Q87.1Confident86.3Confident88 Ų8870 Ų7041%0.41135%0.349SS..Hα-helixtrans-69.3-40.2173.2-172.260.145.300111.2P23 E24 I29 R30 D31P23-Q27 PolarHBondContact O-N 3.16Å; P23-Q27 VanDerWaalsContact O-N 3.15Å; E24-Q27 PolarHBondContact O-N 2.86Å; Q27-I29 PolarHBondContact O-N 3.42Å; Q27-R30 WeakPolarHBondContact O-CB 3.48Å; Q27-R30 PolarHBondContact O-N 3Å; Q27-D31 PolarHBondContact NE2-OD1 3.23Å; Q27-D31 VanDerWaalsContact O-CG 3.24Å; Q27-D31 PolarHBondContact O-N 3.21Å
28Q89.8Confident86.5Confident64 Ų6471 Ų7130%0.29936%0.358SS..Hα-helixtrans-62.7-41.8178.9-79.2171.82400112.7W13 E24 D25 R30 D31 V32W13-Q28 HydrophobicContact CH2-CB 4.33Å; W13-Q28 HydrophobicContact CZ2-CB 3.73Å; E24-Q28 WeakPolarHBondContact O-CB 3.21Å; E24-Q28 WeakPolarHBondContact O-CG 3.32Å; E24-Q28 PolarHBondContact O-N 3.42Å; D25-Q28 PolarHBondContact O-N 3.49Å; Q28-R30 VanDerWaalsContact C-N 3.28Å; Q28-R30 PolarHBondContact O-N 3.47Å; Q28-D31 PolarHBondContact O-N 3.18Å; Q28-V32 VanDerWaalsContact O-CB 3.29Å; Q28-V32 WeakPolarHBondContact O-CB 3.48Å; Q28-V32 WeakPolarHBondContact O-CG2 3.36Å; Q28-V32 PolarHBondContact O-N 3.26Å
29I90.1Very high86.8Confident4 Ų468.3 Ų68.32%0.02136%0.36CS..Hα-helixtrans-63.3-37.3176.6-165.1168.5000111.6W13 D25 Y26 Q27 G33 I57 M61 L65W13-I29 HydrophobicContact CH2-CB 3.8Å; W13-I29 HydrophobicContact CH2-CG1 4.22Å; W13-I29 HydrophobicContact CZ2-CB 4.32Å; W13-I29 HydrophobicContact CZ3-CB 4.19Å; W13-I29 HydrophobicContact CZ3-CD1 4.48Å; W13-I29 HydrophobicContact CZ3-CG1 4.14Å; D25-I29 PolarHBondContact O-N 3.3Å; Y26-I29 WeakPolarHBondContact O-CG2 3.41Å; Q27-I29 PolarHBondContact O-N 3.42Å; I29-G33 PolarHBondContact O-N 2.88Å; I29-I57 HydrophobicContact CD1-CG2 3.94Å; I29-M61 HydrophobicContact CD1-CB 3.87Å; I29-M61 HydrophobicContact CG2-CB 4.05Å; I29-L65 HydrophobicContact CD1-CD1 4.35Å; I29-L65 HydrophobicContact CD1-CG 4.41Å; I29-L65 HydrophobicContact CG1-CD1 4.43Å; I29-L65 HydrophobicContact CG1-CD2 3.98Å; I29-L65 HydrophobicContact CG1-CG 4.14Å; I29-L65 WeakPolarHBondContact O-CD2 3.37Å
30R90.3Very high86.9Confident108 Ų10862.2 Ų62.241%0.40835%0.346SS..Hα-helixtrans-64.4-48.4176-174.3177.3-167.2-178.56.6111.2Y26 Q27 Q28 G33 A34 G64 A67 P68Y26-R30 PolarHBondContact O-N 3.3Å; Q27-R30 WeakPolarHBondContact O-CB 3.48Å; Q27-R30 PolarHBondContact O-N 3Å; Q28-R30 VanDerWaalsContact C-N 3.28Å; Q28-R30 PolarHBondContact O-N 3.47Å; R30-G33 PolarHBondContact O-N 3.48Å; R30-A34 WeakPolarHBondContact O-CB 3.43Å; R30-A34 PolarHBondContact O-N 3.42Å; R30-G64 WeakPolarHBondContact CG-O 3.41Å; R30-A67 VanDerWaalsContact NH2-CB 3.29Å; R30-P68 HydrophobicContact CG-CG 3.89Å
31D90.3Very high87Confident85 Ų8557.6 Ų57.646%0.45533%0.332SS..Hα-helixtrans-64.8-42.5-179.7-66.2-16000111.7Q27 Q28 A34 A35Q27-D31 PolarHBondContact NE2-OD1 3.23Å; Q27-D31 VanDerWaalsContact O-CG 3.24Å; Q27-D31 PolarHBondContact O-N 3.21Å; Q28-D31 PolarHBondContact O-N 3.18Å; D31-A34 PolarHBondContact O-N 3.25Å; D31-A35 VanDerWaalsContact O-CB 3.32Å; D31-A35 WeakPolarHBondContact O-CB 3.37Å; D31-A35 PolarHBondContact O-N 3.17Å
32V90.1Very high87.1Confident25 Ų2556.7 Ų56.715%0.15233%0.328CS..Hα-helixtrans-63.9-45176.5167.30000110.7M1 V6 Q28 A35 C36M1-V32 HydrophobicContact CE-CB 3.91Å; M1-V32 HydrophobicContact CE-CG1 3.66Å; M1-V32 HydrophobicContact CE-CG2 3.68Å; M1-V32 HydrophobicContact SD-CG2 4.18Å; V6-V32 HydrophobicContact CG1-CG1 3.87Å; Q28-V32 VanDerWaalsContact O-CB 3.29Å; Q28-V32 WeakPolarHBondContact O-CB 3.48Å; Q28-V32 WeakPolarHBondContact O-CG2 3.36Å; Q28-V32 PolarHBondContact O-N 3.26Å; V32-A35 PolarHBondContact O-N 3.31Å; V32-C36 WeakPolarHBondContact O-CB 3.3Å; V32-C36 PolarHBondContact O-N 3.38Å
33G90.5Very high87.3Confident1 Ų155.8 Ų55.81%0.0133%0.325CS..Hα-helixtrans-60.5-47.7175.700000112.4I29 R30 A35 C36 L37I29-G33 PolarHBondContact O-N 2.88Å; R30-G33 PolarHBondContact O-N 3.48Å; G33-A35 PolarHBondContact O-N 2.95Å; G33-C36 WeakPolarHBondContact O-CB 3.43Å; G33-C36 PolarHBondContact O-N 3.41Å; G33-L37 WeakPolarHBondContact O-CG 3.42Å; G33-L37 PolarHBondContact O-N 2.65Å
34A89.3Confident87.6Confident35 Ų3556 Ų5629%0.28932%0.317SS..Hα-helixtrans-62-41.1177.500000112.5R30 D31 L37 S38 P68R30-A34 WeakPolarHBondContact O-CB 3.43Å; R30-A34 PolarHBondContact O-N 3.42Å; D31-A34 PolarHBondContact O-N 3.25Å; A34-L37 PolarHBondContact O-N 2.92Å; A34-S38 WeakPolarHBondContact O-CB 3.39Å; A34-S38 PolarHBondContact O-N 3.23Å; A34-S38 PolarHBondContact O-OG 3.36Å; A34-P68 HydrophobicContact CB-CB 3.95Å; A34-P68 HydrophobicContact CB-CG 4.04Å
35A89Confident87.8Confident44 Ų4451.2 Ų51.236%0.36430%0.296SS..Hα-helixtrans-65.3-38.5175.600000112.2M1 D31 V32 G33 G39M1-A35 HydrophobicContact CE-CB 4.4Å; M1-A35 HydrophobicContact SD-CB 4.29Å; D31-A35 VanDerWaalsContact O-CB 3.32Å; D31-A35 WeakPolarHBondContact O-CB 3.37Å; D31-A35 PolarHBondContact O-N 3.17Å; V32-A35 PolarHBondContact O-N 3.31Å; G33-A35 PolarHBondContact O-N 2.95Å; A35-G39 PolarHBondContact O-N 3.18Å; A35-G39 VanDerWaalsContact O-N 3.12Å
36C87.9Confident88Confident29 Ų2952 Ų5220%0.19630%0.299CS..Hα-helixtrans-63.7-46.6176-177.20000111.6V32 G33 G39 G40 D41V32-C36 WeakPolarHBondContact O-CB 3.3Å; V32-C36 PolarHBondContact O-N 3.38Å; G33-C36 WeakPolarHBondContact O-CB 3.43Å; G33-C36 PolarHBondContact O-N 3.41Å; C36-G39 PolarHBondContact O-N 3.29Å; C36-G40 PolarHBondContact O-N 2.91Å; C36-D41 PolarHBondContact O-N 3Å; C36-D41 VanDerWaalsContact O-N 3.12Å; C36-D41 PolarHBondContact SG-O 3.3Å
37L88.3Confident88.3Confident5 Ų553.5 Ų53.53%0.02631%0.308CS..Hα-helixtrans-65.8-41.9177.6-67172.6000112.1G33 A34 G39 G40 L45 P68 L69 E72G33-L37 WeakPolarHBondContact O-CG 3.42Å; G33-L37 PolarHBondContact O-N 2.65Å; A34-L37 PolarHBondContact O-N 2.92Å; L37-G39 PolarHBondContact O-N 2.91Å; L37-G40 PolarHBondContact O-N 3.34Å; L37-L45 HydrophobicContact CD1-CD2 4.06Å; L37-L45 HydrophobicContact CD2-CD2 3.82Å; L37-L45 HydrophobicContact CG-CD2 3.83Å; L37-P68 VanDerWaalsContact CD1-C 3.42Å; L37-P68 HydrophobicContact CD1-CB 3.86Å; L37-P68 VanDerWaalsContact CD1-O 3.23Å; L37-P68 WeakPolarHBondContact CD1-O 3.5Å; L37-L69 HydrophobicContact CD1-CD2 3.99Å; L37-L69 HydrophobicContact CD1-CG 4.26Å; L37-L69 HydrophobicContact CD2-CD2 4.23Å; L37-E72 HydrophobicContact CB-CB 4.31Å; L37-E72 HydrophobicContact CB-CG 4.24Å; L37-E72 HydrophobicContact CD1-CB 4.09Å; L37-E72 HydrophobicContact CD2-CG 4.28Å
38S85.3Confident88.5Confident98 Ų9850.9 Ų50.969%0.68530%0.295SS*.Hα-helixtrans-60.8-27.5174.9-60.40000112.9A34 G40A34-S38 WeakPolarHBondContact O-CB 3.39Å; A34-S38 PolarHBondContact O-N 3.23Å; A34-S38 PolarHBondContact O-OG 3.36Å; S38-G40 VanDerWaalsContact C-N 3.31Å
39G82.4Confident88.6Confident57 Ų5747.9 Ų47.959%0.58828%0.281SS*.THydrogen-bonded Turntrans-78.3-9.2173.200000114.6A35 C36 L37A35-G39 PolarHBondContact O-N 3.18Å; A35-G39 VanDerWaalsContact O-N 3.12Å; C36-G39 PolarHBondContact O-N 3.29Å; L37-G39 PolarHBondContact O-N 2.91Å
40G81.9Confident88.7Confident51 Ų5152.4 Ų52.453%0.52630%0.302SS..THydrogen-bonded Turntrans84.38.1-175.100000114.4C36 L37 S38 G42C36-G40 PolarHBondContact O-N 2.91Å; L37-G40 PolarHBondContact O-N 3.34Å; S38-G40 VanDerWaalsContact C-N 3.31Å; G40-G42 VanDerWaalsContact C-N 3.26Å; G40-G42 PolarHBondContact O-N 3.08Å; G40-G42 VanDerWaalsContact O-N 3.16Å
41D84.4Confident88.8Confident64 Ų6450 Ų5034%0.34230%0.298SS..  trans-88.535.3-173.2-72.9-55.8000113.6C36 Q43 Q44 L45C36-D41 PolarHBondContact O-N 3Å; C36-D41 VanDerWaalsContact O-N 3.12Å; C36-D41 PolarHBondContact SG-O 3.3Å; D41-Q43 PolarHBondContact O-N 2.99Å; D41-Q43 VanDerWaalsContact O-N 3.09Å; D41-Q44 HydrophobicContact CB-CB 4.21Å; D41-Q44 HydrophobicContact CB-CG 4Å; D41-Q44 WeakPolarHBondContact O-CB 3.43Å; D41-Q44 PolarHBondContact O-N 2.9Å; D41-Q44 PolarHBondContact OD1-NE2 2.88Å; D41-L45 PolarHBondContact O-N 3.09Å; D41-L45 VanDerWaalsContact O-N 3.16Å
42G85.4Confident88.7Confident2 Ų254.3 Ų54.32%0.02132%0.315CS..Hα-helixtrans-56.9-29.6-179.400000113.9G40 L46G40-G42 VanDerWaalsContact C-N 3.26Å; G40-G42 PolarHBondContact O-N 3.08Å; G40-G42 VanDerWaalsContact O-N 3.16Å; G42-L46 PolarHBondContact O-N 3.47Å
43Q88.8Confident88.6Confident104 Ų10460.5 Ų60.549%0.48634%0.34SS..Hα-helixtrans-67.4-36.4173.5-169.8-176.124.200112.6D41 K47D41-Q43 PolarHBondContact O-N 2.99Å; D41-Q43 VanDerWaalsContact O-N 3.09Å; Q43-K47 WeakPolarHBondContact O-CG 3.4Å; Q43-K47 PolarHBondContact O-N 2.97Å
44Q88.4Confident88.5Confident106 Ų10660.6 Ų60.650%0.49534%0.34SS..Hα-helixtrans-70.3-41177.7-56.6-170.120.800110.6D41 L46 K47 F48D41-Q44 HydrophobicContact CB-CB 4.21Å; D41-Q44 HydrophobicContact CB-CG 4Å; D41-Q44 WeakPolarHBondContact O-CB 3.43Å; D41-Q44 PolarHBondContact O-N 2.9Å; D41-Q44 PolarHBondContact OD1-NE2 2.88Å; Q44-L46 VanDerWaalsContact C-N 3.34Å; Q44-L46 PolarHBondContact O-N 3.48Å; Q44-K47 PolarHBondContact O-N 3.07Å; Q44-F48 PolarHBondContact O-N 3.16Å
45L90.8Very high88.4Confident11 Ų1161.3 Ų61.36%0.05834%0.337CS..Hα-helixtrans-61.5-42.6174.7-173.460.6000111.5L37 D41 K47 F48 I49 L65 L69L37-L45 HydrophobicContact CD1-CD2 4.06Å; L37-L45 HydrophobicContact CD2-CD2 3.82Å; L37-L45 HydrophobicContact CG-CD2 3.83Å; D41-L45 PolarHBondContact O-N 3.09Å; D41-L45 VanDerWaalsContact O-N 3.16Å; L45-K47 PolarHBondContact O-N 3.24Å; L45-F48 HydrophobicContact CD1-CD1 4.47Å; L45-F48 WeakPolarHBondContact O-CB 3.34Å; L45-F48 PolarHBondContact O-N 3.01Å; L45-I49 HydrophobicContact CG-CD1 4.17Å; L45-I49 WeakPolarHBondContact O-CG1 3.45Å; L45-I49 PolarHBondContact O-N 3.38Å; L45-L65 HydrophobicContact CD1-CD1 4.24Å; L45-L65 HydrophobicContact CD1-CD2 4.38Å; L45-L69 HydrophobicContact CD2-CD2 3.84Å; L45-L69 HydrophobicContact CD2-CG 4.4Å
46L91.9Very high88.2Confident18 Ų1861.9 Ų61.99%0.09435%0.347CS..Hα-helixtrans-60.2-44.9174.2-179.962.1000111.9G42 Q44 F48 I49 Q50 H82 A85 A86G42-L46 PolarHBondContact O-N 3.47Å; Q44-L46 VanDerWaalsContact C-N 3.34Å; Q44-L46 PolarHBondContact O-N 3.48Å; L46-F48 VanDerWaalsContact C-N 3.3Å; L46-F48 PolarHBondContact O-N 2.9Å; L46-I49 PolarHBondContact O-N 3.48Å; L46-Q50 HydrophobicContact CD1-CG 4.18Å; L46-Q50 HydrophobicContact CG-CG 4.46Å; L46-Q50 WeakPolarHBondContact O-CB 3.4Å; L46-Q50 WeakPolarHBondContact O-CG 3.38Å; L46-Q50 PolarHBondContact O-N 2.97Å; L46-H82 HydrophobicContact CD2-CB 4.45Å; L46-A85 HydrophobicContact CD1-CB 4.01Å; L46-A85 HydrophobicContact CD2-CB 3.97Å; L46-A86 HydrophobicContact CD1-CB 3.99Å
47K92.2Very high88.3Confident125 Ų12560.7 Ų60.754%0.54334%0.339SS..Hα-helixtrans-60.6-39.6175.8-75.1175.8-178.4175.20111.9Q43 Q44 L45 Q50 D51Q43-K47 WeakPolarHBondContact O-CG 3.4Å; Q43-K47 PolarHBondContact O-N 2.97Å; Q44-K47 PolarHBondContact O-N 3.07Å; L45-K47 PolarHBondContact O-N 3.24Å; K47-Q50 PolarHBondContact O-N 3.48Å; K47-D51 WeakPolarHBondContact O-CB 3.32Å; K47-D51 PolarHBondContact O-N 3.01Å
48F91.9Very high88.3Confident33 Ų3360.5 Ų60.515%0.14534%0.338CS..Hα-helixtrans-60.5-44.7175.4171-92.8000111.7I10 Q44 L45 L46 Q50 D51 N54 I57 V58I10-F48 HydrophobicContact CD1-CD2 4.07Å; I10-F48 HydrophobicContact CD1-CE2 3.8Å; I10-F48 HydrophobicContact CG1-CE2 3.96Å; I10-F48 HydrophobicContact CG2-CE2 3.91Å; Q44-F48 PolarHBondContact O-N 3.16Å; L45-F48 HydrophobicContact CD1-CD1 4.47Å; L45-F48 WeakPolarHBondContact O-CB 3.34Å; L45-F48 PolarHBondContact O-N 3.01Å; L46-F48 VanDerWaalsContact C-N 3.3Å; L46-F48 PolarHBondContact O-N 2.9Å; F48-Q50 VanDerWaalsContact C-N 3.33Å; F48-D51 PolarHBondContact O-N 3.43Å; F48-N54 WeakPolarHBondContact CD2-ND2 3.13Å; F48-N54 HydrophobicContact CE2-CB 4.18Å; F48-N54 WeakPolarHBondContact CE2-ND2 3.45Å; F48-N54 HydrophobicContact CZ-CB 4.3Å; F48-N54 WeakPolarHBondContact O-CB 3.33Å; F48-N54 PolarHBondContact O-ND2 3.17Å; F48-I57 HydrophobicContact CZ-CG2 4.21Å; F48-V58 HydrophobicContact CE1-CG2 4.47Å
49I91.9Very high88.5Confident0 Ų062 Ų620%033%0.332CS..Hα-helixtrans-68-33.5179.8-65165.8000111.6L45 L46 Q55 V58 L65 A86 Q89 L90L45-I49 HydrophobicContact CG-CD1 4.17Å; L45-I49 WeakPolarHBondContact O-CG1 3.45Å; L45-I49 PolarHBondContact O-N 3.38Å; L46-I49 PolarHBondContact O-N 3.48Å; I49-Q55 PolarHBondContact O-NE2 3.36Å; I49-V58 HydrophobicContact CG2-CG1 4.17Å; I49-L65 HydrophobicContact CD1-CD1 4.21Å; I49-L65 HydrophobicContact CG1-CD1 4.22Å; I49-A86 HydrophobicContact CD1-CB 3.69Å; I49-Q89 HydrophobicContact CG2-CB 3.92Å; I49-Q89 HydrophobicContact CG2-CG 3.67Å; I49-L90 HydrophobicContact CD1-CD2 4.38Å; I49-L90 HydrophobicContact CG2-CD2 4.03Å
50Q91.9Very high88.6Confident99 Ų9960.1 Ų60.146%0.46331%0.31SS..Hα-helixtrans-82.8-17.7-179.8-71.1176.8-16.600114.1L46 K47 F48 E52 Q89L46-Q50 HydrophobicContact CD1-CG 4.18Å; L46-Q50 HydrophobicContact CG-CG 4.46Å; L46-Q50 WeakPolarHBondContact O-CB 3.4Å; L46-Q50 WeakPolarHBondContact O-CG 3.38Å; L46-Q50 PolarHBondContact O-N 2.97Å; K47-Q50 PolarHBondContact O-N 3.48Å; F48-Q50 VanDerWaalsContact C-N 3.33Å; Q50-E52 PolarHBondContact O-N 3.02Å; Q50-Q89 HydrophobicContact CG-CG 4.3Å
51D91.8Very high89Confident59 Ų5957.8 Ų57.832%0.31629%0.286SS..  trans-66.5125.5-178.5-175.2-10.8000110.9R14 K47 F48 K53 N54 Q55R14-D51 IonicContact NH2-OD2 2.71Å; K47-D51 WeakPolarHBondContact O-CB 3.32Å; K47-D51 PolarHBondContact O-N 3.01Å; F48-D51 PolarHBondContact O-N 3.43Å; D51-K53 PolarHBondContact O-N 3.21Å; D51-K53 WeakPolarHBondContact OD1-CB 3.5Å; D51-K53 PolarHBondContact OD1-N 2.98Å; D51-N54 HydrophobicContact CB-CB 4.4Å; D51-N54 WeakPolarHBondContact CB-ND2 3.45Å; D51-N54 PolarHBondContact O-N 3.12Å; D51-Q55 PolarHBondContact O-N 3.19Å; D51-Q55 PolarHBondContact O-NE2 3.36Å
52E87.9Confident89.2Confident175 Ų17554.7 Ų54.782%0.81827%0.269SS*.G310 helixtrans-56.7-34177.6-69.8-173.6170.200112.2Q50 N54 Q55Q50-E52 PolarHBondContact O-N 3.02Å; E52-N54 PolarHBondContact O-N 3.23Å; E52-Q55 PolarHBondContact O-N 3.29Å
53K87.5Confident89.4Confident155 Ų15555.2 Ų55.267%0.67427%0.273SS*.G310 helixtrans-68.3-18.3179.2-63179.2-179177.20113.1D51D51-K53 PolarHBondContact O-N 3.21Å; D51-K53 WeakPolarHBondContact OD1-CB 3.5Å; D51-K53 PolarHBondContact OD1-N 2.98Å
54N88.4Confident89.5Confident2 Ų251.3 Ų51.31%0.01126%0.26CS..G310 helixtrans-102.4-2.9-178.5-60.2-26.7000112.7R14 F48 D51 E52 G56 I57 V58R14-N54 PolarHBondContact NE-OD1 3.07Å; R14-N54 PolarHBondContact NH2-OD1 3.01Å; F48-N54 WeakPolarHBondContact CD2-ND2 3.13Å; F48-N54 HydrophobicContact CE2-CB 4.18Å; F48-N54 WeakPolarHBondContact CE2-ND2 3.45Å; F48-N54 HydrophobicContact CZ-CB 4.3Å; F48-N54 WeakPolarHBondContact O-CB 3.33Å; F48-N54 PolarHBondContact O-ND2 3.17Å; D51-N54 HydrophobicContact CB-CB 4.4Å; D51-N54 WeakPolarHBondContact CB-ND2 3.45Å; D51-N54 PolarHBondContact O-N 3.12Å; E52-N54 PolarHBondContact O-N 3.23Å; N54-G56 PolarHBondContact O-N 2.91Å; N54-I57 WeakPolarHBondContact O-CA 3.4Å; N54-I57 WeakPolarHBondContact O-CB 3.49Å; N54-I57 PolarHBondContact O-N 3.49Å; N54-V58 HydrophobicContact CB-CG2 4.41Å; N54-V58 WeakPolarHBondContact O-CG2 3.41Å; N54-V58 PolarHBondContact O-N 3.2Å
55Q88.3Confident89.7Confident50 Ų5046.4 Ų46.423%0.23424%0.237CC..Hα-helixtrans-61.2-31.7-173.3-64.2-56.9-56.300113.3I49 D51 E52 I57 V58 K59 T93I49-Q55 PolarHBondContact O-NE2 3.36Å; D51-Q55 PolarHBondContact O-N 3.19Å; D51-Q55 PolarHBondContact O-NE2 3.36Å; E52-Q55 PolarHBondContact O-N 3.29Å; Q55-I57 VanDerWaalsContact C-N 3.33Å; Q55-I57 PolarHBondContact O-N 3.44Å; Q55-V58 PolarHBondContact O-N 3.48Å; Q55-K59 WeakPolarHBondContact O-CB 3.49Å; Q55-K59 PolarHBondContact O-N 2.79Å; Q55-T93 PolarHBondContact OE1-OG1 2.75Å
56G85.7Confident89.7Confident56 Ų5645.9 Ų45.958%0.57724%0.235SC*.Hα-helixtrans-62.1-40.4172.500000112.9N54 S60N54-G56 PolarHBondContact O-N 2.91Å; G56-S60 PolarHBondContact O-N 2.92Å; G56-S60 PolarHBondContact O-OG 2.97Å
57I88.1Confident89.7Confident5 Ų545.5 Ų45.53%0.02623%0.234CC..Hα-helixtrans-68.5-47.6175.8-58174.6000110.2I10 W13 R14 I29 F48 N54 Q55 K59 S60 M61I10-I57 HydrophobicContact CG2-CD1 4.41Å; W13-I57 HydrophobicContact CB-CD1 3.64Å; W13-I57 HydrophobicContact CB-CG1 3.96Å; W13-I57 HydrophobicContact CE3-CG2 4.31Å; R14-I57 HydrophobicContact CG-CD1 3.64Å; R14-I57 HydrophobicContact CG-CG1 4.5Å; I29-I57 HydrophobicContact CD1-CG2 3.94Å; F48-I57 HydrophobicContact CZ-CG2 4.21Å; N54-I57 WeakPolarHBondContact O-CA 3.4Å; N54-I57 WeakPolarHBondContact O-CB 3.49Å; N54-I57 PolarHBondContact O-N 3.49Å; Q55-I57 VanDerWaalsContact C-N 3.33Å; Q55-I57 PolarHBondContact O-N 3.44Å; I57-K59 VanDerWaalsContact C-N 3.32Å; I57-K59 PolarHBondContact O-N 3.04Å; I57-S60 PolarHBondContact O-N 3.43Å; I57-S60 PolarHBondContact O-OG 2.9Å; I57-S60 VanDerWaalsContact O-OG 3.11Å; I57-M61 HydrophobicContact CG2-CE 3.65Å; I57-M61 PolarHBondContact O-N 3.13Å
58V89.4Confident89.7Confident0 Ų040 Ų400%021%0.211CC..Hα-helixtrans-63-41.4-178.4178.60000110.5F48 I49 N54 Q55 S60 G62 L90 T93 C94F48-V58 HydrophobicContact CE1-CG2 4.47Å; I49-V58 HydrophobicContact CG2-CG1 4.17Å; N54-V58 HydrophobicContact CB-CG2 4.41Å; N54-V58 WeakPolarHBondContact O-CG2 3.41Å; N54-V58 PolarHBondContact O-N 3.2Å; Q55-V58 PolarHBondContact O-N 3.48Å; V58-S60 VanDerWaalsContact C-N 3.34Å; V58-S60 PolarHBondContact O-N 2.94Å; V58-G62 WeakPolarHBondContact O-CA 3.4Å; V58-G62 PolarHBondContact O-N 3.47Å; V58-L90 HydrophobicContact CG1-CD2 3.7Å; V58-T93 HydrophobicContact CB-CG2 4.05Å; V58-T93 HydrophobicContact CG1-CG2 3.67Å; V58-C94 PolarHBondContact O-SG 3.23Å
59K88.7Confident89.7Confident129 Ų12938.5 Ų38.556%0.56121%0.205SC*.Hα-helixtrans-63.2-38.4179.1-173.7177.6179.9-174.70113.1Q55 I57 T93Q55-K59 WeakPolarHBondContact O-CB 3.49Å; Q55-K59 PolarHBondContact O-N 2.79Å; I57-K59 VanDerWaalsContact C-N 3.32Å; I57-K59 PolarHBondContact O-N 3.04Å; K59-T93 HydrophobicContact CB-CG2 4.36Å
60S85.9Confident89.6Confident18 Ų1838.6 Ų38.613%0.12621%0.205CC..Hα-helixtrans-86.7-45.9-175.949.10000113G56 I57 V58G56-S60 PolarHBondContact O-N 2.92Å; G56-S60 PolarHBondContact O-OG 2.97Å; I57-S60 PolarHBondContact O-N 3.43Å; I57-S60 PolarHBondContact O-OG 2.9Å; I57-S60 VanDerWaalsContact O-OG 3.11Å; V58-S60 VanDerWaalsContact C-N 3.34Å; V58-S60 PolarHBondContact O-N 2.94Å
61M89.3Confident89.5Confident2 Ų238.1 Ų38.11%0.0121%0.206CC..Hα-helixtrans-117.4-3.6-170.7-58.3-168.6-71.300114.1W13 L21 D25 Y26 I29 I57 C63 G64W13-M61 HydrophobicContact CB-CE 4.1Å; W13-M61 HydrophobicContact CD2-CE 3.81Å; W13-M61 HydrophobicContact CE3-CE 4.32Å; W13-M61 HydrophobicContact CG-CE 3.71Å; L21-M61 HydrophobicContact CD1-CE 4.21Å; L21-M61 HydrophobicContact CD1-CG 3.82Å; L21-M61 HydrophobicContact CD1-SD 3.86Å; L21-M61 HydrophobicContact CD2-CE 4.06Å; L21-M61 HydrophobicContact CD2-SD 4.02Å; L21-M61 HydrophobicContact CG-SD 4.4Å; D25-M61 HydrophobicContact CB-SD 3.98Å; Y26-M61 HydrophobicContact CD1-CB 4.23Å; Y26-M61 HydrophobicContact CD1-CG 3.9Å; Y26-M61 HydrophobicContact CE1-CB 4.29Å; Y26-M61 HydrophobicContact CE1-CG 3.7Å; Y26-M61 HydrophobicContact CG-CG 4.49Å; I29-M61 HydrophobicContact CD1-CB 3.87Å; I29-M61 HydrophobicContact CG2-CB 4.05Å; I57-M61 HydrophobicContact CG2-CE 3.65Å; I57-M61 PolarHBondContact O-N 3.13Å; M61-C63 PolarHBondContact O-N 3.25Å; M61-C63 VanDerWaalsContact O-N 3.16Å; M61-G64 PolarHBondContact O-N 3.02Å
62G89.7Confident89.4Confident0 Ų036.1 Ų36.10%019%0.194CC..G310 helixtrans-61.3-26.6-173.900000114.4V58 G64 L65V58-G62 WeakPolarHBondContact O-CA 3.4Å; V58-G62 PolarHBondContact O-N 3.47Å; G62-G64 PolarHBondContact O-N 2.82Å; G62-L65 WeakPolarHBondContact O-CB 3.43Å; G62-L65 PolarHBondContact O-N 3.23Å
63C89.7Confident89.4Confident13 Ų1328.4 Ų28.49%0.08816%0.159CC..G310 helixtrans-59.7-29.6175.1-55.70000112.5M61 L65 L66 T98 L99 S102M61-C63 PolarHBondContact O-N 3.25Å; M61-C63 VanDerWaalsContact O-N 3.16Å; C63-L65 PolarHBondContact O-N 3.3Å; C63-L65 VanDerWaalsContact O-N 3.17Å; C63-L66 WeakPolarHBondContact O-CB 3.33Å; C63-L66 PolarHBondContact O-N 3.5Å; C63-T98 PolarHBondContact SG-OG1 3.01Å; C63-L99 HydrophobicContact CB-CD2 4.32Å; C63-L99 VanDerWaalsContact SG-CD2 3.57Å; C63-S102 WeakPolarHBondContact CB-OG 3.41Å
64G89.6Confident89.4Confident22 Ų2223 Ų2323%0.22714%0.138CC..G310 helixtrans-64.2-18.3175.800000114.1R30 M61 G62 L66R30-G64 WeakPolarHBondContact CG-O 3.41Å; M61-G64 PolarHBondContact O-N 3.02Å; G62-G64 PolarHBondContact O-N 2.82Å; G64-L66 VanDerWaalsContact C-N 3.34Å
65L92.6Very high89.2Confident2 Ų232.5 Ų32.51%0.0117%0.174CC..G310 helixtrans-83.3-8.8175-62.6174.1000113.1I29 L45 I49 G62 C63 P68 L69 L90I29-L65 HydrophobicContact CD1-CD1 4.35Å; I29-L65 HydrophobicContact CD1-CG 4.41Å; I29-L65 HydrophobicContact CG1-CD1 4.43Å; I29-L65 HydrophobicContact CG1-CD2 3.98Å; I29-L65 HydrophobicContact CG1-CG 4.14Å; I29-L65 WeakPolarHBondContact O-CD2 3.37Å; L45-L65 HydrophobicContact CD1-CD1 4.24Å; L45-L65 HydrophobicContact CD1-CD2 4.38Å; I49-L65 HydrophobicContact CD1-CD1 4.21Å; I49-L65 HydrophobicContact CG1-CD1 4.22Å; G62-L65 WeakPolarHBondContact O-CB 3.43Å; G62-L65 PolarHBondContact O-N 3.23Å; C63-L65 PolarHBondContact O-N 3.3Å; C63-L65 VanDerWaalsContact O-N 3.17Å; L65-P68 WeakPolarHBondContact O-CD 3.31Å; L65-L69 HydrophobicContact CB-CD1 4.19Å; L65-L69 WeakPolarHBondContact O-CB 3.23Å; L65-L69 VanDerWaalsContact O-CD1 3.29Å; L65-L69 WeakPolarHBondContact O-CD1 3.36Å; L65-L69 WeakPolarHBondContact O-CG 3.49Å; L65-L69 PolarHBondContact O-N 3.04Å; L65-L90 HydrophobicContact CB-CD1 4.24Å
66L92.2Very high88.4Confident1 Ų132.7 Ų32.71%0.00518%0.177CC..Hα-helixtrans-65-48.7-176.3-170.266.4000111.8C63 G64 L69 V70 I87 F103 L106C63-L66 WeakPolarHBondContact O-CB 3.33Å; C63-L66 PolarHBondContact O-N 3.5Å; G64-L66 VanDerWaalsContact C-N 3.34Å; L66-L69 PolarHBondContact O-N 2.71Å; L66-V70 HydrophobicContact CD1-CG2 4.35Å; L66-V70 HydrophobicContact CG-CG2 4.41Å; L66-V70 VanDerWaalsContact O-CG2 3.23Å; L66-V70 WeakPolarHBondContact O-CG2 3.41Å; L66-V70 PolarHBondContact O-N 2.94Å; L66-I87 HydrophobicContact CD1-CG1 4.34Å; L66-I87 HydrophobicContact CD1-CG2 3.87Å; L66-F103 HydrophobicContact CD1-CE1 3.96Å; L66-F103 HydrophobicContact CD1-CE2 4.43Å; L66-F103 HydrophobicContact CD1-CZ 3.77Å; L66-F103 HydrophobicContact CD2-CD1 3.84Å; L66-F103 HydrophobicContact CD2-CD2 4Å; L66-F103 HydrophobicContact CD2-CE1 3.86Å; L66-F103 HydrophobicContact CD2-CE2 3.98Å; L66-F103 HydrophobicContact CD2-CG 3.88Å; L66-F103 HydrophobicContact CD2-CZ 3.91Å; L66-F103 HydrophobicContact CG-CE1 4.38Å; L66-F103 HydrophobicContact CG-CZ 4.46Å; L66-L106 HydrophobicContact CB-CD1 4.16Å; L66-L106 HydrophobicContact CD2-CD1 3.51Å; L66-L106 HydrophobicContact CG-CD1 3.5Å
67A91.1Very high87.4Confident9 Ų939.3 Ų39.37%0.07419%0.19CC..Hα-helixtrans-57.8-53.2-179.600000112.5R30 L69 V70 D71 L106R30-A67 VanDerWaalsContact NH2-CB 3.29Å; A67-L69 VanDerWaalsContact C-N 3.31Å; A67-L69 PolarHBondContact O-N 3.19Å; A67-V70 PolarHBondContact O-N 3.34Å; A67-D71 WeakPolarHBondContact O-CB 3.03Å; A67-D71 PolarHBondContact O-N 3.08Å; A67-L106 HydrophobicContact CB-CD2 3.44Å; A67-L106 VanDerWaalsContact CB-CD2 3.44Å
68P91.4Very high86.4Confident11 Ų1148.3 Ų48.37%0.07123%0.229CC..Hα-helixtrans-62.1-36179.5-23.535.8000113.7R30 A34 L37 L65 E72R30-P68 HydrophobicContact CG-CG 3.89Å; A34-P68 HydrophobicContact CB-CB 3.95Å; A34-P68 HydrophobicContact CB-CG 4.04Å; L37-P68 VanDerWaalsContact CD1-C 3.42Å; L37-P68 HydrophobicContact CD1-CB 3.86Å; L37-P68 VanDerWaalsContact CD1-O 3.23Å; L37-P68 WeakPolarHBondContact CD1-O 3.5Å; L65-P68 WeakPolarHBondContact O-CD 3.31Å; P68-E72 WeakPolarHBondContact O-CB 3.48Å; P68-E72 PolarHBondContact O-N 3.19Å
69L92.3Very high85.7Confident1 Ų148.6 Ų48.61%0.00523%0.231CC..Hα-helixtrans-65.9-41.7177.8-75.8168.6000111.9L37 L45 L65 L66 A67 L73 C83 A86 I87 L90L37-L69 HydrophobicContact CD1-CD2 3.99Å; L37-L69 HydrophobicContact CD1-CG 4.26Å; L37-L69 HydrophobicContact CD2-CD2 4.23Å; L45-L69 HydrophobicContact CD2-CD2 3.84Å; L45-L69 HydrophobicContact CD2-CG 4.4Å; L65-L69 HydrophobicContact CB-CD1 4.19Å; L65-L69 WeakPolarHBondContact O-CB 3.23Å; L65-L69 VanDerWaalsContact O-CD1 3.29Å; L65-L69 WeakPolarHBondContact O-CD1 3.36Å; L65-L69 WeakPolarHBondContact O-CG 3.49Å; L65-L69 PolarHBondContact O-N 3.04Å; L66-L69 PolarHBondContact O-N 2.71Å; A67-L69 VanDerWaalsContact C-N 3.31Å; A67-L69 PolarHBondContact O-N 3.19Å; L69-L73 WeakPolarHBondContact O-CG 3.14Å; L69-L73 PolarHBondContact O-N 2.94Å; L69-C83 HydrophobicContact CD2-CB 4.08Å; L69-A86 HydrophobicContact CD1-CB 3.97Å; L69-A86 HydrophobicContact CD2-CB 3.84Å; L69-I87 HydrophobicContact CB-CD1 4.01Å; L69-I87 HydrophobicContact CB-CG1 3.83Å; L69-I87 HydrophobicContact CD1-CG1 3.92Å; L69-I87 HydrophobicContact CG-CG1 4.44Å; L69-L90 HydrophobicContact CD1-CD1 3.68Å
70V90.7Very high85.4Confident2 Ų246 Ų461%0.01222%0.221CC..Hα-helixtrans-68.8-45.4177.9173.70000110.5L66 A67 E72 L73 V74 I87 L106 T118 L122L66-V70 HydrophobicContact CD1-CG2 4.35Å; L66-V70 HydrophobicContact CG-CG2 4.41Å; L66-V70 VanDerWaalsContact O-CG2 3.23Å; L66-V70 WeakPolarHBondContact O-CG2 3.41Å; L66-V70 PolarHBondContact O-N 2.94Å; A67-V70 PolarHBondContact O-N 3.34Å; V70-E72 VanDerWaalsContact C-N 3.28Å; V70-E72 PolarHBondContact O-N 3.48Å; V70-L73 WeakPolarHBondContact O-CB 3.47Å; V70-L73 PolarHBondContact O-N 3.23Å; V70-L73 VanDerWaalsContact O-N 3.12Å; V70-V74 HydrophobicContact CG1-CG2 4.41Å; V70-V74 VanDerWaalsContact O-CG2 3.32Å; V70-V74 WeakPolarHBondContact O-CG2 3.34Å; V70-V74 PolarHBondContact O-N 3.36Å; V70-I87 HydrophobicContact CG2-CD1 3.91Å; V70-L106 HydrophobicContact CG2-CD1 4.38Å; V70-T118 HydrophobicContact CG1-CG2 4.08Å; V70-L122 HydrophobicContact CB-CD2 4.35Å; V70-L122 HydrophobicContact CG1-CD2 3.93Å; V70-L122 HydrophobicContact CG1-CG 4.4Å; V70-L122 HydrophobicContact CG2-CD2 3.46Å; V70-L122 VanDerWaalsContact CG2-CD2 3.46Å
71D89.2Confident85.5Confident89 Ų8951.3 Ų51.348%0.47625%0.247SC..Hα-helixtrans-57.5-41.8176.4-77.1-12.5000111.9A67 V74 R75A67-D71 WeakPolarHBondContact O-CB 3.03Å; A67-D71 PolarHBondContact O-N 3.08Å; D71-V74 PolarHBondContact O-N 2.75Å; D71-R75 VanDerWaalsContact O-CB 3.27Å; D71-R75 WeakPolarHBondContact O-CB 3.46Å; D71-R75 VanDerWaalsContact O-CG 3.25Å; D71-R75 WeakPolarHBondContact O-CG 3.32Å; D71-R75 PolarHBondContact O-N 3.12Å
72E89.5Confident85.5Confident17 Ų1754.3 Ų54.38%0.07926%0.261CS..Hα-helixtrans-67.4-40.2176.8-176.465.7-170.200111.8L37 P68 V70 V74 R75 N76 S79L37-E72 HydrophobicContact CB-CB 4.31Å; L37-E72 HydrophobicContact CB-CG 4.24Å; L37-E72 HydrophobicContact CD1-CB 4.09Å; L37-E72 HydrophobicContact CD2-CG 4.28Å; P68-E72 WeakPolarHBondContact O-CB 3.48Å; P68-E72 PolarHBondContact O-N 3.19Å; V70-E72 VanDerWaalsContact C-N 3.28Å; V70-E72 PolarHBondContact O-N 3.48Å; E72-V74 VanDerWaalsContact C-N 3.32Å; E72-V74 PolarHBondContact O-N 3.17Å; E72-R75 PolarHBondContact O-N 2.96Å; E72-N76 PolarHBondContact O-N 2.77Å; E72-N76 VanDerWaalsContact OE1-CB 3.27Å; E72-N76 WeakPolarHBondContact OE1-CB 3.44Å; E72-N76 PolarHBondContact OE1-ND2 2.97Å; E72-S79 WeakPolarHBondContact CG-OG 3.31Å; E72-S79 PolarHBondContact OE1-OG 2.99Å
73L88.3Confident85.6Confident12 Ų1254.3 Ų54.36%0.06326%0.261CS..Hα-helixtrans-61.6-39.9176.2-79168.4000112.4L69 V70 H80 C83 Q84 I87 V121L69-L73 WeakPolarHBondContact O-CG 3.14Å; L69-L73 PolarHBondContact O-N 2.94Å; V70-L73 WeakPolarHBondContact O-CB 3.47Å; V70-L73 PolarHBondContact O-N 3.23Å; V70-L73 VanDerWaalsContact O-N 3.12Å; L73-H80 HydrophobicContact CD2-CB 4.36Å; L73-H80 WeakPolarHBondContact CD2-O 3.35Å; L73-C83 HydrophobicContact CD1-CB 4.09Å; L73-C83 HydrophobicContact CD2-CB 3.69Å; L73-C83 HydrophobicContact CG-CB 3.62Å; L73-Q84 HydrophobicContact CD2-CB 4.5Å; L73-I87 HydrophobicContact CD1-CD1 3.42Å; L73-I87 VanDerWaalsContact CD1-CD1 3.42Å; L73-V121 HydrophobicContact CB-CG1 4.12Å; L73-V121 HydrophobicContact CB-CG2 4.35Å; L73-V121 HydrophobicContact CD1-CG1 3.57Å; L73-V121 HydrophobicContact CG-CG1 4.44Å
74V87.5Confident85.6Confident41 Ų4156.3 Ų56.325%0.24827%0.269CS..Hα-helixtrans-72.8-38.7179.2173.70000111.1V70 D71 E72 A114 E117 T118V70-V74 HydrophobicContact CG1-CG2 4.41Å; V70-V74 VanDerWaalsContact O-CG2 3.32Å; V70-V74 WeakPolarHBondContact O-CG2 3.34Å; V70-V74 PolarHBondContact O-N 3.36Å; D71-V74 PolarHBondContact O-N 2.75Å; E72-V74 VanDerWaalsContact C-N 3.32Å; E72-V74 PolarHBondContact O-N 3.17Å; V74-A114 HydrophobicContact CG1-CB 3.92Å; V74-E117 HydrophobicContact CG1-CB 4.38Å; V74-T118 WeakPolarHBondContact CG2-OG1 3.5Å
75R83.8Confident85.7Confident203 Ų20357 Ų5777%0.76627%0.273SS*.Hα-helixtrans-88.8-29.6-173.4-70176.259.6-158.1-6.7115D71 E72D71-R75 VanDerWaalsContact O-CB 3.27Å; D71-R75 WeakPolarHBondContact O-CB 3.46Å; D71-R75 VanDerWaalsContact O-CG 3.25Å; D71-R75 WeakPolarHBondContact O-CG 3.32Å; D71-R75 PolarHBondContact O-N 3.12Å; E72-R75 PolarHBondContact O-N 2.96Å
76N71.9Confident85.7Confident54 Ų5457 Ų5729%0.28927%0.273SS..  trans-141.7126.5-164.7-167.22.8000113.8E72 K78E72-N76 PolarHBondContact O-N 2.77Å; E72-N76 VanDerWaalsContact OE1-CB 3.27Å; E72-N76 WeakPolarHBondContact OE1-CB 3.44Å; E72-N76 PolarHBondContact OE1-ND2 2.97Å; N76-K78 PolarHBondContact OD1-N 3.41Å
77K64.4Low85.8Confident195 Ų19557 Ų5785%0.84827%0.273SS*.SBendtrans-83.2-10.8-178.9-64.5-172.4178.6-176.10114.6
78K68.2Low85.9Confident193 Ų19359 Ų5984%0.83928%0.284SS*.SBendtrans-75.2-28.7-170.6-69-176.4-179.4177.80114.3N76N76-K78 PolarHBondContact OD1-N 3.41Å
79S73.4Confident85.9Confident7 Ų760.6 Ų60.65%0.04929%0.291CS..SBendtrans-110.98.7-176.449.20000112.6E72 D81 H82 C83E72-S79 WeakPolarHBondContact CG-OG 3.31Å; E72-S79 PolarHBondContact OE1-OG 2.99Å; S79-D81 PolarHBondContact O-N 3.19Å; S79-H82 PolarHBondContact O-N 3.16Å; S79-H82 VanDerWaalsContact O-N 3.08Å; S79-C83 PolarHBondContact O-N 3.46Å; S79-C83 PolarHBondContact O-SG 3.28Å
80H83.4Confident86Confident75 Ų7560.6 Ų60.635%0.34729%0.291SS..Hα-helixtrans-52-52.8-167.6-175.7-84000113.6L73 H82 C83 Q84L73-H80 HydrophobicContact CD2-CB 4.36Å; L73-H80 WeakPolarHBondContact CD2-O 3.35Å; H80-H82 VanDerWaalsContact C-N 3.3Å; H80-H82 PolarHBondContact O-N 2.94Å; H80-C83 PolarHBondContact O-N 3.42Å; H80-Q84 WeakPolarHBondContact O-CB 3.2Å; H80-Q84 PolarHBondContact O-N 2.89Å
81D87.3Confident86.1Confident128 Ų12860.6 Ų60.668%0.68429%0.291SS*.Hα-helixtrans-64.6-35.7-177.3-62-19.9000112.6S79 A85S79-D81 PolarHBondContact O-N 3.19Å; D81-A85 VanDerWaalsContact O-CB 3.27Å; D81-A85 WeakPolarHBondContact O-CB 3.35Å; D81-A85 PolarHBondContact O-N 2.94Å
82H90.2Very high86.1Confident65 Ų6563.1 Ų63.130%0.30130%0.298SS..Hα-helixtrans-70.9-42178.4-61.3105.4000111.5L46 S79 H80 A85 A86L46-H82 HydrophobicContact CD2-CB 4.45Å; S79-H82 PolarHBondContact O-N 3.16Å; S79-H82 VanDerWaalsContact O-N 3.08Å; H80-H82 VanDerWaalsContact C-N 3.3Å; H80-H82 PolarHBondContact O-N 2.94Å; H82-A85 PolarHBondContact O-N 3.44Å; H82-A86 VanDerWaalsContact O-CB 3.3Å; H82-A86 WeakPolarHBondContact O-CB 3.31Å; H82-A86 PolarHBondContact O-N 2.88Å
83C90.3Very high86.1Confident1 Ų163.6 Ų63.61%0.00730%0.302CS..Hα-helixtrans-66.7-42.5177-650000111.4L69 L73 S79 H80 A85 A86 I87L69-C83 HydrophobicContact CD2-CB 4.08Å; L73-C83 HydrophobicContact CD1-CB 4.09Å; L73-C83 HydrophobicContact CD2-CB 3.69Å; L73-C83 HydrophobicContact CG-CB 3.62Å; S79-C83 PolarHBondContact O-N 3.46Å; S79-C83 PolarHBondContact O-SG 3.28Å; H80-C83 PolarHBondContact O-N 3.42Å; C83-A85 PolarHBondContact O-N 3.11Å; C83-A86 WeakPolarHBondContact O-CB 3.27Å; C83-A86 PolarHBondContact O-N 3.42Å; C83-I87 WeakPolarHBondContact O-CG1 3.5Å; C83-I87 PolarHBondContact O-N 3.21Å
84Q89.9Confident86.2Confident54 Ų5463.4 Ų63.425%0.25230%0.301SS..Hα-helixtrans-61-46.2175.8-172.969.6-2.700111.3L73 H80 A86 I87 T88 H125L73-Q84 HydrophobicContact CD2-CB 4.5Å; H80-Q84 WeakPolarHBondContact O-CB 3.2Å; H80-Q84 PolarHBondContact O-N 2.89Å; Q84-A86 VanDerWaalsContact C-N 3.3Å; Q84-A86 PolarHBondContact O-N 2.83Å; Q84-I87 PolarHBondContact O-N 3.34Å; Q84-T88 PolarHBondContact O-N 3.33Å; Q84-T88 PolarHBondContact O-OG1 3.26Å; Q84-T88 VanDerWaalsContact O-OG1 3.13Å; Q84-H125 PolarHBondContact NE2-CE1 2.93Å; Q84-H125 PolarHBondContact NE2-NE2 3.32Å; Q84-H125 PolarHBondContact OE1-NE2 3.05Å
85A92.1Very high86.3Confident38 Ų3864.3 Ų64.331%0.31431%0.31SS..Hα-helixtrans-63.6-35.417600000112.5L46 D81 H82 C83 T88 Q89L46-A85 HydrophobicContact CD1-CB 4.01Å; L46-A85 HydrophobicContact CD2-CB 3.97Å; D81-A85 VanDerWaalsContact O-CB 3.27Å; D81-A85 WeakPolarHBondContact O-CB 3.35Å; D81-A85 PolarHBondContact O-N 2.94Å; H82-A85 PolarHBondContact O-N 3.44Å; C83-A85 PolarHBondContact O-N 3.11Å; A85-T88 PolarHBondContact O-N 2.93Å; A85-Q89 WeakPolarHBondContact O-CB 3.37Å; A85-Q89 PolarHBondContact O-N 3.48Å
86A92.9Very high86.7Confident1 Ų155.7 Ų55.71%0.00828%0.281CS..Hα-helixtrans-64.5-48.2176.600000110.9L46 I49 L69 H82 C83 Q84 T88 Q89 L90L46-A86 HydrophobicContact CD1-CB 3.99Å; I49-A86 HydrophobicContact CD1-CB 3.69Å; L69-A86 HydrophobicContact CD1-CB 3.97Å; L69-A86 HydrophobicContact CD2-CB 3.84Å; H82-A86 VanDerWaalsContact O-CB 3.3Å; H82-A86 WeakPolarHBondContact O-CB 3.31Å; H82-A86 PolarHBondContact O-N 2.88Å; C83-A86 WeakPolarHBondContact O-CB 3.27Å; C83-A86 PolarHBondContact O-N 3.42Å; Q84-A86 VanDerWaalsContact C-N 3.3Å; Q84-A86 PolarHBondContact O-N 2.83Å; A86-T88 PolarHBondContact O-N 3.27Å; A86-Q89 PolarHBondContact O-N 3.35Å; A86-Q89 VanDerWaalsContact O-N 3.11Å; A86-L90 WeakPolarHBondContact O-CG 3.15Å; A86-L90 PolarHBondContact O-N 3.45Å
87I93.3Very high87.5Confident0 Ų061.4 Ų61.40%030%0.298CS..Hα-helixtrans-60.9-46176.5-60.5173.8000110.5L66 L69 V70 L73 C83 Q84 Q89 L90 T91 F103 H125L66-I87 HydrophobicContact CD1-CG1 4.34Å; L66-I87 HydrophobicContact CD1-CG2 3.87Å; L69-I87 HydrophobicContact CB-CD1 4.01Å; L69-I87 HydrophobicContact CB-CG1 3.83Å; L69-I87 HydrophobicContact CD1-CG1 3.92Å; L69-I87 HydrophobicContact CG-CG1 4.44Å; V70-I87 HydrophobicContact CG2-CD1 3.91Å; L73-I87 HydrophobicContact CD1-CD1 3.42Å; L73-I87 VanDerWaalsContact CD1-CD1 3.42Å; C83-I87 WeakPolarHBondContact O-CG1 3.5Å; C83-I87 PolarHBondContact O-N 3.21Å; Q84-I87 PolarHBondContact O-N 3.34Å; I87-Q89 PolarHBondContact O-N 3.35Å; I87-L90 WeakPolarHBondContact O-CA 3.47Å; I87-L90 WeakPolarHBondContact O-CB 3.34Å; I87-L90 PolarHBondContact O-N 3.34Å; I87-T91 WeakPolarHBondContact O-CG2 2.93Å; I87-T91 PolarHBondContact O-N 3Å; I87-F103 HydrophobicContact CG2-CZ 4.46Å; I87-H125 HydrophobicContact CG2-CB 3.88Å; I87-H125 VanDerWaalsContact CG2-CD2 3.45Å; I87-H125 WeakPolarHBondContact CG2-CD2 3.18Å; I87-H125 VanDerWaalsContact CG2-CG 3.42Å
88T93.3Very high88.7Confident51 Ų5154.7 Ų54.731%0.31327%0.274SS..Hα-helixtrans-61.1-29.4176.3-60.30000113.1Q84 A85 A86 T91 K92 H125Q84-T88 PolarHBondContact O-N 3.33Å; Q84-T88 PolarHBondContact O-OG1 3.26Å; Q84-T88 VanDerWaalsContact O-OG1 3.13Å; A85-T88 PolarHBondContact O-N 2.93Å; A86-T88 PolarHBondContact O-N 3.27Å; T88-T91 WeakPolarHBondContact CA-OG1 3.21Å; T88-T91 PolarHBondContact O-OG1 3.29Å; T88-K92 WeakPolarHBondContact O-CG 3.21Å; T88-H125 PolarHBondContact OG1-CE1 3.44Å; T88-H125 PolarHBondContact OG1-ND1 3.41Å
89Q92.9Very high89.8Confident46 Ų4645.5 Ų45.522%0.21523%0.234CC..Hα-helixtrans-75.4-38.9173.6-170.861.422.900111.3I49 Q50 A85 A86 I87 T91 K92 T93I49-Q89 HydrophobicContact CG2-CB 3.92Å; I49-Q89 HydrophobicContact CG2-CG 3.67Å; Q50-Q89 HydrophobicContact CG-CG 4.3Å; A85-Q89 WeakPolarHBondContact O-CB 3.37Å; A85-Q89 PolarHBondContact O-N 3.48Å; A86-Q89 PolarHBondContact O-N 3.35Å; A86-Q89 VanDerWaalsContact O-N 3.11Å; I87-Q89 PolarHBondContact O-N 3.35Å; Q89-T91 VanDerWaalsContact C-N 3.31Å; Q89-T91 PolarHBondContact O-N 3.09Å; Q89-K92 PolarHBondContact O-N 3.01Å; Q89-T93 PolarHBondContact O-N 3.24Å; Q89-T93 VanDerWaalsContact O-N 3.13Å; Q89-T93 PolarHBondContact O-OG1 2.94Å
90L93.6Very high90.8Very high0 Ų046 Ų460%024%0.235CC..Hα-helixtrans-58.8-42.7173.2-65.8177.1000111.3I49 V58 L65 L69 A86 I87 K92 T93 C94I49-L90 HydrophobicContact CD1-CD2 4.38Å; I49-L90 HydrophobicContact CG2-CD2 4.03Å; V58-L90 HydrophobicContact CG1-CD2 3.7Å; L65-L90 HydrophobicContact CB-CD1 4.24Å; L69-L90 HydrophobicContact CD1-CD1 3.68Å; A86-L90 WeakPolarHBondContact O-CG 3.15Å; A86-L90 PolarHBondContact O-N 3.45Å; I87-L90 WeakPolarHBondContact O-CA 3.47Å; I87-L90 WeakPolarHBondContact O-CB 3.34Å; I87-L90 PolarHBondContact O-N 3.34Å; L90-K92 PolarHBondContact O-N 3.05Å; L90-K92 VanDerWaalsContact O-N 3.1Å; L90-T93 PolarHBondContact O-N 3.33Å; L90-T93 VanDerWaalsContact O-N 3.16Å; L90-C94 WeakPolarHBondContact O-CB 3.35Å; L90-C94 PolarHBondContact O-N 3.03Å
91T92Very high91.2Very high2 Ų247 Ų471%0.01224%0.241CC..Hα-helixtrans-63.4-15.1176.162.30000113.9I87 T88 Q89 H125 V129 Q132I87-T91 WeakPolarHBondContact O-CG2 2.93Å; I87-T91 PolarHBondContact O-N 3Å; T88-T91 WeakPolarHBondContact CA-OG1 3.21Å; T88-T91 PolarHBondContact O-OG1 3.29Å; Q89-T91 VanDerWaalsContact C-N 3.31Å; Q89-T91 PolarHBondContact O-N 3.09Å; T91-H125 HydrophobicContact CG2-CB 4.05Å; T91-V129 HydrophobicContact CG2-CG2 3.7Å; T91-Q132 PolarHBondContact O-OE1 3.14Å; T91-Q132 VanDerWaalsContact O-OE1 3.06Å
92K90.2Very high91.5Very high142 Ų14242 Ų4262%0.61722%0.216SC*.Hα-helixtrans-96-26.7175.7-67.5173-174.9175.60113.2T88 Q89 L90T88-K92 WeakPolarHBondContact O-CG 3.21Å; Q89-K92 PolarHBondContact O-N 3.01Å; L90-K92 PolarHBondContact O-N 3.05Å; L90-K92 VanDerWaalsContact O-N 3.1Å
93T89.6Confident91.7Very high27 Ų2739 Ų3917%0.16620%0.202CC..Hα-helixtrans-101.7-41.5-172.1-60.20000112.8Q55 V58 K59 Q89 L90Q55-T93 PolarHBondContact OE1-OG1 2.75Å; V58-T93 HydrophobicContact CB-CG2 4.05Å; V58-T93 HydrophobicContact CG1-CG2 3.67Å; K59-T93 HydrophobicContact CB-CG2 4.36Å; Q89-T93 PolarHBondContact O-N 3.24Å; Q89-T93 VanDerWaalsContact O-N 3.13Å; Q89-T93 PolarHBondContact O-OG1 2.94Å; L90-T93 PolarHBondContact O-N 3.33Å; L90-T93 VanDerWaalsContact O-N 3.16Å
94C90.9Very high91.9Very high8 Ų840.3 Ų40.35%0.05421%0.208CC..SBendtrans-79.2159.5-176-56.20000111.7V58 L90 S96 L99V58-C94 PolarHBondContact O-SG 3.23Å; L90-C94 WeakPolarHBondContact O-CB 3.35Å; L90-C94 PolarHBondContact O-N 3.03Å; C94-S96 PolarHBondContact O-N 3.09Å; C94-L99 HydrophobicContact CB-CD1 3.7Å; C94-L99 HydrophobicContact CB-CD2 4.05Å; C94-L99 HydrophobicContact CB-CG 3.66Å
95S89.8Confident92Very high61 Ų6143.8 Ų43.843%0.42723%0.225SC..  trans-63131.5171.8175.70000110.9R97 T98 L99S95-R97 PolarHBondContact O-N 3.4Å; S95-T98 PolarHBondContact O-N 2.96Å; S95-T98 PolarHBondContact O-OG1 3.25Å; S95-T98 VanDerWaalsContact O-OG1 3.05Å; S95-L99 PolarHBondContact O-N 3.3Å
96S90.6Very high92Very high22 Ų2243.4 Ų43.415%0.15422%0.218CC..Hα-helixtrans-61.5-30.8-179-49.70000112.1C94 L100 V129C94-S96 PolarHBondContact O-N 3.09Å; S96-L100 WeakPolarHBondContact O-CB 2.78Å; S96-L100 PolarHBondContact O-N 2.89Å; S96-V129 WeakPolarHBondContact O-CG1 3.22Å
97R89.2Confident92.1Very high173 Ų17343.4 Ų43.465%0.65322%0.217SC*.Hα-helixtrans-68-49.7176.8-175175.2179162.33.9112.5S95 L99 L100 E101S95-R97 PolarHBondContact O-N 3.4Å; R97-L99 VanDerWaalsContact C-N 3.32Å; R97-L99 PolarHBondContact O-N 3.22Å; R97-L100 PolarHBondContact O-N 3.01Å; R97-E101 IonicContact NE-OE1 3.35Å; R97-E101 WeakPolarHBondContact O-CG 3.32Å; R97-E101 PolarHBondContact O-N 3.31Å; R97-E101 VanDerWaalsContact O-N 3.09Å
98T89.4Confident91.9Very high54 Ų5449.1 Ų49.133%0.33124%0.244SC..Hα-helixtrans-69.1-34.3179.956.30000111.3C63 S95 E101 S102C63-T98 PolarHBondContact SG-OG1 3.01Å; S95-T98 PolarHBondContact O-N 2.96Å; S95-T98 PolarHBondContact O-OG1 3.25Å; S95-T98 VanDerWaalsContact O-OG1 3.05Å; T98-E101 PolarHBondContact O-N 2.86Å; T98-S102 PolarHBondContact O-N 3.41Å; T98-S102 PolarHBondContact O-OG 3.44Å; T98-S102 VanDerWaalsContact O-OG 3.13Å
99L92.4Very high91.5Very high0 Ų053.7 Ų53.70%027%0.267CS..Hα-helixtrans-63.1-45.7171.5-80175.1000111.9C63 C94 S95 R97 E101 S102 F103 V129C63-L99 HydrophobicContact CB-CD2 4.32Å; C63-L99 VanDerWaalsContact SG-CD2 3.57Å; C94-L99 HydrophobicContact CB-CD1 3.7Å; C94-L99 HydrophobicContact CB-CD2 4.05Å; C94-L99 HydrophobicContact CB-CG 3.66Å; S95-L99 PolarHBondContact O-N 3.3Å; R97-L99 VanDerWaalsContact C-N 3.32Å; R97-L99 PolarHBondContact O-N 3.22Å; L99-E101 VanDerWaalsContact C-N 3.32Å; L99-E101 PolarHBondContact O-N 3.45Å; L99-S102 PolarHBondContact O-N 2.83Å; L99-F103 HydrophobicContact CB-CD2 4.39Å; L99-F103 HydrophobicContact CB-CE2 4.39Å; L99-F103 WeakPolarHBondContact O-CD2 3.48Å; L99-F103 PolarHBondContact O-N 3.31Å; L99-V129 HydrophobicContact CB-CG1 4.1Å; L99-V129 HydrophobicContact CB-CG2 4.19Å; L99-V129 HydrophobicContact CD1-CG2 3.91Å
100L93.8Very high91.2Very high17 Ų1752 Ų529%0.08926%0.259CS..Hα-helixtrans-57.7-46.7177.4176.262.7000111.2S96 R97 S102 F103 L104 L126 V129 L130 L133S96-L100 WeakPolarHBondContact O-CB 2.78Å; S96-L100 PolarHBondContact O-N 2.89Å; R97-L100 PolarHBondContact O-N 3.01Å; L100-S102 VanDerWaalsContact C-N 3.34Å; L100-S102 PolarHBondContact O-N 3.33Å; L100-F103 PolarHBondContact O-N 2.87Å; L100-L104 HydrophobicContact CD1-CD1 4.23Å; L100-L104 HydrophobicContact CD1-CG 4.16Å; L100-L104 HydrophobicContact CG-CD1 4.1Å; L100-L104 HydrophobicContact CG-CG 4.44Å; L100-L104 VanDerWaalsContact O-CG 3.32Å; L100-L104 WeakPolarHBondContact O-CG 3.3Å; L100-L104 PolarHBondContact O-N 3.14Å; L100-L126 HydrophobicContact CD1-CD1 3.76Å; L100-V129 HydrophobicContact CB-CG1 4.29Å; L100-L130 HydrophobicContact CD1-CD2 3.77Å; L100-L130 HydrophobicContact CD1-CG 4.46Å; L100-L130 HydrophobicContact CD2-CD2 4.11Å; L100-L133 HydrophobicContact CD2-CD1 4.04Å
101E92.4Very high90.8Very high97 Ų9756.9 Ų56.945%0.45329%0.285SS..Hα-helixtrans-56.6-47.4175.9-70.8167.6-17400111.1R97 T98 L99 F103 L104 E105R97-E101 IonicContact NE-OE1 3.35Å; R97-E101 WeakPolarHBondContact O-CG 3.32Å; R97-E101 PolarHBondContact O-N 3.31Å; R97-E101 VanDerWaalsContact O-N 3.09Å; T98-E101 PolarHBondContact O-N 2.86Å; L99-E101 VanDerWaalsContact C-N 3.32Å; L99-E101 PolarHBondContact O-N 3.45Å; E101-F103 PolarHBondContact O-N 3.42Å; E101-L104 PolarHBondContact O-N 3.28Å; E101-E105 WeakPolarHBondContact O-CG 3.32Å; E101-E105 PolarHBondContact O-N 3.12Å
102S92.1Very high90.5Very high24 Ų2460.7 Ų60.717%0.16831%0.31CS..Hα-helixtrans-64.2-36.8176.1-610000113.6C63 T98 L99 L100 L106C63-S102 WeakPolarHBondContact CB-OG 3.41Å; T98-S102 PolarHBondContact O-N 3.41Å; T98-S102 PolarHBondContact O-OG 3.44Å; T98-S102 VanDerWaalsContact O-OG 3.13Å; L99-S102 PolarHBondContact O-N 2.83Å; L100-S102 VanDerWaalsContact C-N 3.34Å; L100-S102 PolarHBondContact O-N 3.33Å; S102-L106 VanDerWaalsContact O-CG 3.28Å; S102-L106 WeakPolarHBondContact O-CG 3.34Å; S102-L106 PolarHBondContact O-N 3.22Å; S102-L106 VanDerWaalsContact O-N 3.14Å
103F94.5Very high90.3Very high0 Ų057.3 Ų57.30%032%0.315CS..Hα-helixtrans-64.6-42174-85.4-70.1000111.4L66 I87 L99 L100 E101 L106 I107 L122 H125 L126 V129L66-F103 HydrophobicContact CD1-CE1 3.96Å; L66-F103 HydrophobicContact CD1-CE2 4.43Å; L66-F103 HydrophobicContact CD1-CZ 3.77Å; L66-F103 HydrophobicContact CD2-CD1 3.84Å; L66-F103 HydrophobicContact CD2-CD2 4Å; L66-F103 HydrophobicContact CD2-CE1 3.86Å; L66-F103 HydrophobicContact CD2-CE2 3.98Å; L66-F103 HydrophobicContact CD2-CG 3.88Å; L66-F103 HydrophobicContact CD2-CZ 3.91Å; L66-F103 HydrophobicContact CG-CE1 4.38Å; L66-F103 HydrophobicContact CG-CZ 4.46Å; I87-F103 HydrophobicContact CG2-CZ 4.46Å; L99-F103 HydrophobicContact CB-CD2 4.39Å; L99-F103 HydrophobicContact CB-CE2 4.39Å; L99-F103 WeakPolarHBondContact O-CD2 3.48Å; L99-F103 PolarHBondContact O-N 3.31Å; L100-F103 PolarHBondContact O-N 2.87Å; E101-F103 PolarHBondContact O-N 3.42Å; F103-L106 PolarHBondContact O-N 3.08Å; F103-I107 WeakPolarHBondContact O-CD1 3.41Å; F103-I107 VanDerWaalsContact O-CG1 3.25Å; F103-I107 WeakPolarHBondContact O-CG1 3.47Å; F103-I107 PolarHBondContact O-N 3.09Å; F103-L122 HydrophobicContact CD1-CB 4.5Å; F103-L122 HydrophobicContact CD1-CD2 3.79Å; F103-L122 HydrophobicContact CE1-CB 4.49Å; F103-L122 HydrophobicContact CE1-CD2 3.63Å; F103-H125 HydrophobicContact CE1-CB 4.2Å; F103-H125 HydrophobicContact CZ-CB 3.73Å; F103-L126 HydrophobicContact CB-CD1 3.89Å; F103-L126 HydrophobicContact CD1-CB 4.44Å; F103-L126 HydrophobicContact CD2-CD1 4.21Å; F103-L126 HydrophobicContact CG-CD1 4.02Å; F103-V129 HydrophobicContact CE2-CG2 3.93Å
104L94.6Very high90.4Very high29 Ų2957 Ų5715%0.15232%0.315CS..Hα-helixtrans-65.1-44.2179.1-69.2173.3000111.3L100 E101 L106 I107 E108 L143 A147L100-L104 HydrophobicContact CD1-CD1 4.23Å; L100-L104 HydrophobicContact CD1-CG 4.16Å; L100-L104 HydrophobicContact CG-CD1 4.1Å; L100-L104 HydrophobicContact CG-CG 4.44Å; L100-L104 VanDerWaalsContact O-CG 3.32Å; L100-L104 WeakPolarHBondContact O-CG 3.3Å; L100-L104 PolarHBondContact O-N 3.14Å; E101-L104 PolarHBondContact O-N 3.28Å; L104-L106 VanDerWaalsContact C-N 3.29Å; L104-L106 PolarHBondContact O-N 2.98Å; L104-I107 PolarHBondContact O-N 3.16Å; L104-I107 VanDerWaalsContact O-N 3.12Å; L104-E108 WeakPolarHBondContact O-CG 3.43Å; L104-E108 PolarHBondContact O-N 3.28Å; L104-L143 HydrophobicContact CD1-CB 4.05Å; L104-L143 HydrophobicContact CD1-CD1 4.27Å; L104-L143 HydrophobicContact CD2-CB 4.3Å; L104-A147 HydrophobicContact CD2-CB 4.06Å
105E92.5Very high90.5Very high127 Ų12756.7 Ų56.759%0.59331%0.313SS*.Hα-helixtrans-56.2-43.9173.7-72.8177.7-177.900111.7E101 I107 E108 D109E101-E105 WeakPolarHBondContact O-CG 3.32Å; E101-E105 PolarHBondContact O-N 3.12Å; E105-I107 VanDerWaalsContact C-N 3.33Å; E105-I107 PolarHBondContact O-N 2.94Å; E105-E108 PolarHBondContact O-N 2.86Å; E105-D109 PolarHBondContact O-N 3.09Å
106L92.4Very high90.7Very high31 Ų3154.4 Ų54.416%0.16230%0.297CS..Hα-helixtrans-64.1-36.9176.8-71.7172.5000113.5L66 A67 V70 S102 F103 L104 E108 M110L66-L106 HydrophobicContact CB-CD1 4.16Å; L66-L106 HydrophobicContact CD2-CD1 3.51Å; L66-L106 HydrophobicContact CG-CD1 3.5Å; A67-L106 HydrophobicContact CB-CD2 3.44Å; A67-L106 VanDerWaalsContact CB-CD2 3.44Å; V70-L106 HydrophobicContact CG2-CD1 4.38Å; S102-L106 VanDerWaalsContact O-CG 3.28Å; S102-L106 WeakPolarHBondContact O-CG 3.34Å; S102-L106 PolarHBondContact O-N 3.22Å; S102-L106 VanDerWaalsContact O-N 3.14Å; F103-L106 PolarHBondContact O-N 3.08Å; L104-L106 VanDerWaalsContact C-N 3.29Å; L104-L106 PolarHBondContact O-N 2.98Å; L106-E108 VanDerWaalsContact C-N 3.35Å; L106-M110 WeakPolarHBondContact O-CG 3.38Å
107I93.6Very high90.8Very high0 Ų057 Ų570%031%0.306CS..Hα-helixtrans-71.2-34.5178-66.8161.9000110.2F103 L104 E105 M110 L122 L126 A147 L148 Q151F103-I107 WeakPolarHBondContact O-CD1 3.41Å; F103-I107 VanDerWaalsContact O-CG1 3.25Å; F103-I107 WeakPolarHBondContact O-CG1 3.47Å; F103-I107 PolarHBondContact O-N 3.09Å; L104-I107 PolarHBondContact O-N 3.16Å; L104-I107 VanDerWaalsContact O-N 3.12Å; E105-I107 VanDerWaalsContact C-N 3.33Å; E105-I107 PolarHBondContact O-N 2.94Å; I107-M110 HydrophobicContact CB-SD 4.36Å; I107-M110 HydrophobicContact CG2-SD 4.16Å; I107-M110 WeakPolarHBondContact O-CG 3.49Å; I107-L122 HydrophobicContact CG1-CD1 3.91Å; I107-L126 HydrophobicContact CD1-CD2 3.93Å; I107-A147 HydrophobicContact CB-CB 4.39Å; I107-A147 HydrophobicContact CG2-CB 3.69Å; I107-L148 HydrophobicContact CD1-CD2 3.9Å; I107-L148 HydrophobicContact CD1-CG 4.11Å; I107-L148 HydrophobicContact CG1-CD2 4.32Å; I107-L148 HydrophobicContact CG2-CD2 4.48Å; I107-Q151 HydrophobicContact CG2-CG 3.76Å; I107-Q151 WeakPolarHBondContact O-CG 3.34Å; I107-Q151 PolarHBondContact O-NE2 3.09Å
108E89.8Confident91Very high120 Ų12049.4 Ų49.456%0.56128%0.279SS*.Hα-helixtrans-66.8-40.8178.6-71.5-166.2156.700112.8L104 E105 L106 M110 Q151L104-E108 WeakPolarHBondContact O-CG 3.43Å; L104-E108 PolarHBondContact O-N 3.28Å; E105-E108 PolarHBondContact O-N 2.86Å; L106-E108 VanDerWaalsContact C-N 3.35Å; E108-M110 PolarHBondContact O-N 3.35Å; E108-Q151 PolarHBondContact O-NE2 3.28Å; E108-Q151 VanDerWaalsContact O-NE2 3.14Å
109D84.6Confident91.3Very high148 Ų14846.8 Ų46.879%0.79126%0.264SS*.THydrogen-bonded Turntrans-93.325.9-173.7-74.1-27.8000114.8E105 D111E105-D109 PolarHBondContact O-N 3.09Å; D109-D111 PolarHBondContact O-N 2.81Å
110M87.5Confident91.4Very high11 Ų1148.7 Ų48.75%0.05427%0.273CS..  trans-69.5128.8-177-67.117667.300113.8L106 I107 E108 I115 T118 I119 Q151 R154L106-M110 WeakPolarHBondContact O-CG 3.38Å; I107-M110 HydrophobicContact CB-SD 4.36Å; I107-M110 HydrophobicContact CG2-SD 4.16Å; I107-M110 WeakPolarHBondContact O-CG 3.49Å; E108-M110 PolarHBondContact O-N 3.35Å; M110-I115 HydrophobicContact CB-CG1 4.43Å; M110-I115 VanDerWaalsContact CE-CA 3.46Å; M110-I115 HydrophobicContact CE-CB 4.19Å; M110-I115 HydrophobicContact CE-CG1 4.46Å; M110-I115 HydrophobicContact CE-CG2 4.11Å; M110-I115 WeakPolarHBondContact CE-O 3.43Å; M110-T118 VanDerWaalsContact CE-CB 3.42Å; M110-T118 HydrophobicContact CE-CG2 3.52Å; M110-T118 HydrophobicContact CG-CG2 4.21Å; M110-T118 HydrophobicContact SD-CG2 4.15Å; M110-I119 HydrophobicContact CE-CD1 4.37Å; M110-I119 HydrophobicContact CE-CG1 3.7Å; M110-I119 HydrophobicContact SD-CG1 4.37Å; M110-Q151 HydrophobicContact SD-CB 4.08Å; M110-Q151 HydrophobicContact SD-CG 3.73Å; M110-R154 PolarHBondContact O-NH1 2.86Å
111D85.6Confident91.4Very high101 Ų10148.7 Ų48.754%0.5427%0.274SS..  trans-63.7132.1170.6179.776.6000111D109 G113 A114 I115D109-D111 PolarHBondContact O-N 2.81Å; D111-G113 PolarHBondContact O-N 3.35Å; D111-G113 VanDerWaalsContact O-N 3.11Å; D111-G113 WeakPolarHBondContact OD2-CA 3.4Å; D111-G113 PolarHBondContact OD2-N 3.45Å; D111-A114 HydrophobicContact CB-CB 4.26Å; D111-A114 PolarHBondContact O-N 3.33Å; D111-I115 WeakPolarHBondContact O-CG1 3.38Å; D111-I115 PolarHBondContact O-N 3.24Å
112P84.3Confident91.4Very high83 Ų8344.1 Ų44.154%0.53925%0.253SS..THydrogen-bonded Turntrans-53.3-33.2-178.9-14.515.5000114.8A114 R154P112-A114 VanDerWaalsContact C-N 3.32Å; P112-R154 VanDerWaalsContact CG-NH2 3.35Å
113G86.8Confident91.6Very high71 Ų7143.3 Ų43.373%0.73225%0.247SC*.THydrogen-bonded Turntrans-80.2-13.1-178.800000114D111D111-G113 PolarHBondContact O-N 3.35Å; D111-G113 VanDerWaalsContact O-N 3.11Å; D111-G113 WeakPolarHBondContact OD2-CA 3.4Å; D111-G113 PolarHBondContact OD2-N 3.45Å
114A90.4Very high91.6Very high20 Ų2046.4 Ų46.417%0.16527%0.266CS..THydrogen-bonded Turntrans-112.31-176.400000113.6V74 D111 P112 S116 E117 T118V74-A114 HydrophobicContact CG1-CB 3.92Å; D111-A114 HydrophobicContact CB-CB 4.26Å; D111-A114 PolarHBondContact O-N 3.33Å; P112-A114 VanDerWaalsContact C-N 3.32Å; A114-S116 VanDerWaalsContact C-N 3.34Å; A114-S116 PolarHBondContact O-N 3.33Å; A114-E117 PolarHBondContact O-N 3.02Å; A114-T118 WeakPolarHBondContact O-CB 3.22Å; A114-T118 PolarHBondContact O-N 3.09Å; A114-T118 PolarHBondContact O-OG1 3.29Å; A114-T118 VanDerWaalsContact O-OG1 3.04Å
115I93.8Very high91.6Very high2 Ų245.2 Ų45.21%0.0126%0.26CS..Hα-helixtrans-52.2-51.5-170-68.4177.3000111.9M110 D111 I119 Q151 R154 L155M110-I115 HydrophobicContact CB-CG1 4.43Å; M110-I115 VanDerWaalsContact CE-CA 3.46Å; M110-I115 HydrophobicContact CE-CB 4.19Å; M110-I115 HydrophobicContact CE-CG1 4.46Å; M110-I115 HydrophobicContact CE-CG2 4.11Å; M110-I115 WeakPolarHBondContact CE-O 3.43Å; D111-I115 WeakPolarHBondContact O-CG1 3.38Å; D111-I115 PolarHBondContact O-N 3.24Å; I115-I119 HydrophobicContact CG2-CD1 3.76Å; I115-I119 WeakPolarHBondContact O-CB 3.49Å; I115-I119 VanDerWaalsContact O-CG1 3.31Å; I115-I119 WeakPolarHBondContact O-CG1 3.45Å; I115-I119 PolarHBondContact O-N 3.22Å; I115-Q151 HydrophobicContact CG2-CB 4.3Å; I115-R154 HydrophobicContact CD1-CB 3.89Å; I115-L155 HydrophobicContact CB-CD2 3.89Å; I115-L155 HydrophobicContact CB-CG 4.46Å; I115-L155 HydrophobicContact CD1-CD2 4.24Å; I115-L155 HydrophobicContact CG2-CD1 4.02Å; I115-L155 HydrophobicContact CG2-CD2 3.93Å; I115-L155 HydrophobicContact CG2-CG 3.93Å
116S94.7Very high91.8Very high12 Ų1239.2 Ų39.28%0.08423%0.232CC..Hα-helixtrans-66.5-51-173.551.40000112.7A114 T118 I119 L120 H169 C174A114-S116 VanDerWaalsContact C-N 3.34Å; A114-S116 PolarHBondContact O-N 3.33Å; S116-T118 VanDerWaalsContact C-N 3.35Å; S116-T118 PolarHBondContact O-N 2.89Å; S116-I119 PolarHBondContact O-N 3.49Å; S116-L120 VanDerWaalsContact O-CG 3.22Å; S116-L120 WeakPolarHBondContact O-CG 3.15Å; S116-L120 PolarHBondContact O-N 2.87Å; S116-H169 WeakPolarHBondContact CB-O 3.36Å; S116-H169 PolarHBondContact OG-O 3.34Å; S116-H169 VanDerWaalsContact OG-O 3.07Å; S116-C174 WeakPolarHBondContact CA-SG 3.49Å
117E93.1Very high92Very high76 Ų7639.7 Ų39.736%0.35523%0.233SC..Hα-helixtrans-63.5-40.4-179.9-63.6-57.8146.400111.8V74 A114 L120 V121 R173V74-E117 HydrophobicContact CG1-CB 4.38Å; A114-E117 PolarHBondContact O-N 3.02Å; E117-L120 PolarHBondContact O-N 3.44Å; E117-V121 WeakPolarHBondContact O-CB 3.35Å; E117-V121 VanDerWaalsContact O-CG2 3.3Å; E117-V121 WeakPolarHBondContact O-CG2 3.3Å; E117-V121 PolarHBondContact O-N 3.48Å; E117-R173 IonicContact OE1-CZ 2.86Å; E117-R173 IonicContact OE1-NH1 2.68Å; E117-R173 PolarHBondContact OE1-NH1 3.2Å; E117-R173 IonicContact OE1-NH2 3.71Å; E117-R173 PolarHBondContact OE1-NH2 3.12Å; E117-R173 IonicContact OE2-NH2 3.51Å
118T93.3Very high92Very high14 Ų1442.2 Ų42.29%0.08625%0.249CC..Hα-helixtrans-62.9-47.1174.8-61.30000111.4V70 V74 M110 A114 S116 L120 V121 L122V70-T118 HydrophobicContact CG1-CG2 4.08Å; V74-T118 WeakPolarHBondContact CG2-OG1 3.5Å; M110-T118 VanDerWaalsContact CE-CB 3.42Å; M110-T118 HydrophobicContact CE-CG2 3.52Å; M110-T118 HydrophobicContact CG-CG2 4.21Å; M110-T118 HydrophobicContact SD-CG2 4.15Å; A114-T118 WeakPolarHBondContact O-CB 3.22Å; A114-T118 PolarHBondContact O-N 3.09Å; A114-T118 PolarHBondContact O-OG1 3.29Å; A114-T118 VanDerWaalsContact O-OG1 3.04Å; S116-T118 VanDerWaalsContact C-N 3.35Å; S116-T118 PolarHBondContact O-N 2.89Å; T118-L120 VanDerWaalsContact C-N 3.33Å; T118-L120 PolarHBondContact O-N 3.47Å; T118-V121 PolarHBondContact O-N 3.24Å; T118-L122 HydrophobicContact CG2-CD1 3.63Å; T118-L122 HydrophobicContact CG2-CG 4.14Å; T118-L122 WeakPolarHBondContact O-CB 3.45Å; T118-L122 WeakPolarHBondContact O-CG 3.3Å; T118-L122 PolarHBondContact O-N 3.44Å
119I94.9Very high92.2Very high0 Ų036.5 Ų36.50%022%0.223CC..Hα-helixtrans-56.1-49.8175.7-74.6172.4000110.1M110 I115 S116 V121 L122 L123 L148 Q151 C174M110-I119 HydrophobicContact CE-CD1 4.37Å; M110-I119 HydrophobicContact CE-CG1 3.7Å; M110-I119 HydrophobicContact SD-CG1 4.37Å; I115-I119 HydrophobicContact CG2-CD1 3.76Å; I115-I119 WeakPolarHBondContact O-CB 3.49Å; I115-I119 VanDerWaalsContact O-CG1 3.31Å; I115-I119 WeakPolarHBondContact O-CG1 3.45Å; I115-I119 PolarHBondContact O-N 3.22Å; S116-I119 PolarHBondContact O-N 3.49Å; I119-V121 VanDerWaalsContact C-N 3.3Å; I119-V121 PolarHBondContact O-N 2.98Å; I119-L122 PolarHBondContact O-N 3.43Å; I119-L123 HydrophobicContact CG2-CD1 3.58Å; I119-L123 HydrophobicContact CG2-CG 3.93Å; I119-L123 WeakPolarHBondContact O-CG 3.47Å; I119-L123 PolarHBondContact O-N 3.3Å; I119-L148 HydrophobicContact CG1-CD2 4.13Å; I119-L148 HydrophobicContact CG2-CD2 4.35Å; I119-Q151 HydrophobicContact CD1-CB 4.37Å; I119-C174 HydrophobicContact CG2-CB 4.39Å
120L94.5Very high92.8Very high39 Ų3929.5 Ų29.520%0.20419%0.185CC..Hα-helixtrans-61.9-36.7-176.7-68.4173.3000112.9S116 E117 T118 P124 R173 A177S116-L120 VanDerWaalsContact O-CG 3.22Å; S116-L120 WeakPolarHBondContact O-CG 3.15Å; S116-L120 PolarHBondContact O-N 2.87Å; E117-L120 PolarHBondContact O-N 3.44Å; T118-L120 VanDerWaalsContact C-N 3.33Å; T118-L120 PolarHBondContact O-N 3.47Å; L120-P124 WeakPolarHBondContact O-CD 3.29Å; L120-R173 HydrophobicContact CD1-CB 4.17Å; L120-R173 HydrophobicContact CD2-CB 4.48Å; L120-A177 HydrophobicContact CD2-CB 3.5Å; L120-A177 VanDerWaalsContact CD2-CB 3.5Å
121V93Very high93Very high17 Ų1732.9 Ų32.910%0.10320%0.203CC..Hα-helixtrans-70.3-42.5175.8168.20000111.7L73 E117 T118 I119 H125L73-V121 HydrophobicContact CB-CG1 4.12Å; L73-V121 HydrophobicContact CB-CG2 4.35Å; L73-V121 HydrophobicContact CD1-CG1 3.57Å; L73-V121 HydrophobicContact CG-CG1 4.44Å; E117-V121 WeakPolarHBondContact O-CB 3.35Å; E117-V121 VanDerWaalsContact O-CG2 3.3Å; E117-V121 WeakPolarHBondContact O-CG2 3.3Å; E117-V121 PolarHBondContact O-N 3.48Å; T118-V121 PolarHBondContact O-N 3.24Å; I119-V121 VanDerWaalsContact C-N 3.3Å; I119-V121 PolarHBondContact O-N 2.98Å; V121-H125 PolarHBondContact O-CD2 3.11Å; V121-H125 VanDerWaalsContact O-CD2 3.24Å
122L93.8Very high93.3Very high1 Ų131.7 Ų31.71%0.00519%0.194CC..Hα-helixtrans-74.8-37.8-173.9-66.3177.7000113.2V70 F103 I107 T118 I119 H125 L126V70-L122 HydrophobicContact CB-CD2 4.35Å; V70-L122 HydrophobicContact CG1-CD2 3.93Å; V70-L122 HydrophobicContact CG1-CG 4.4Å; V70-L122 HydrophobicContact CG2-CD2 3.46Å; V70-L122 VanDerWaalsContact CG2-CD2 3.46Å; F103-L122 HydrophobicContact CD1-CB 4.5Å; F103-L122 HydrophobicContact CD1-CD2 3.79Å; F103-L122 HydrophobicContact CE1-CB 4.49Å; F103-L122 HydrophobicContact CE1-CD2 3.63Å; I107-L122 HydrophobicContact CG1-CD1 3.91Å; T118-L122 HydrophobicContact CG2-CD1 3.63Å; T118-L122 HydrophobicContact CG2-CG 4.14Å; T118-L122 WeakPolarHBondContact O-CB 3.45Å; T118-L122 WeakPolarHBondContact O-CG 3.3Å; T118-L122 PolarHBondContact O-N 3.44Å; I119-L122 PolarHBondContact O-N 3.43Å; L122-H125 PolarHBondContact O-N 3.24Å; L122-H125 VanDerWaalsContact O-N 3.13Å; L122-L126 WeakPolarHBondContact O-CB 3.47Å; L122-L126 PolarHBondContact O-N 3.41Å
123L95.4Very high93.6Very high8 Ų829 Ų294%0.04218%0.175CC..Hα-helixtrans-52.4-46.8-169.4-77.9172.8000114.8I119 H125 L126 Q127 L148 A177 L178 F181I119-L123 HydrophobicContact CG2-CD1 3.58Å; I119-L123 HydrophobicContact CG2-CG 3.93Å; I119-L123 WeakPolarHBondContact O-CG 3.47Å; I119-L123 PolarHBondContact O-N 3.3Å; L123-H125 VanDerWaalsContact C-N 3.34Å; L123-H125 PolarHBondContact O-N 3Å; L123-L126 PolarHBondContact O-N 3.33Å; L123-Q127 WeakPolarHBondContact O-CB 3.18Å; L123-Q127 PolarHBondContact O-N 2.98Å; L123-L148 HydrophobicContact CD2-CD1 3.56Å; L123-L148 HydrophobicContact CD2-CD2 4.1Å; L123-L148 HydrophobicContact CD2-CG 4.48Å; L123-A177 HydrophobicContact CD1-CB 3.51Å; L123-L178 HydrophobicContact CD1-CD2 4.27Å; L123-L178 HydrophobicContact CD1-CG 4.43Å; L123-L178 HydrophobicContact CD2-CD2 3.83Å; L123-F181 HydrophobicContact CB-CD2 4.28Å; L123-F181 HydrophobicContact CD2-CB 3.91Å; L123-F181 HydrophobicContact CD2-CD1 4.24Å; L123-F181 HydrophobicContact CD2-CD2 3.55Å; L123-F181 HydrophobicContact CD2-CE2 4.09Å; L123-F181 HydrophobicContact CD2-CG 3.64Å; L123-F181 HydrophobicContact CG-CD2 4.5Å
124P94.6Very high93.2Very high64 Ų6433.4 Ų33.442%0.41618%0.182SC..Hα-helixtrans-63.8-38.7-179.4-2234.1000113.2L120 T128L120-P124 WeakPolarHBondContact O-CD 3.29Å; P124-T128 PolarHBondContact O-N 3.21Å; P124-T128 PolarHBondContact O-OG1 2.97Å
125H94.9Very high92.8Very high5 Ų539.5 Ų39.52%0.02321%0.207CC..Hα-helixtrans-74.5-42.8-179.3-56.2-61.6000110.8Q84 I87 T88 T91 F103 V121 L122 L123 Q127 T128 V129Q84-H125 PolarHBondContact NE2-CE1 2.93Å; Q84-H125 PolarHBondContact NE2-NE2 3.32Å; Q84-H125 PolarHBondContact OE1-NE2 3.05Å; I87-H125 HydrophobicContact CG2-CB 3.88Å; I87-H125 VanDerWaalsContact CG2-CD2 3.45Å; I87-H125 WeakPolarHBondContact CG2-CD2 3.18Å; I87-H125 VanDerWaalsContact CG2-CG 3.42Å; T88-H125 PolarHBondContact OG1-CE1 3.44Å; T88-H125 PolarHBondContact OG1-ND1 3.41Å; T91-H125 HydrophobicContact CG2-CB 4.05Å; F103-H125 HydrophobicContact CE1-CB 4.2Å; F103-H125 HydrophobicContact CZ-CB 3.73Å; V121-H125 PolarHBondContact O-CD2 3.11Å; V121-H125 VanDerWaalsContact O-CD2 3.24Å; L122-H125 PolarHBondContact O-N 3.24Å; L122-H125 VanDerWaalsContact O-N 3.13Å; L123-H125 VanDerWaalsContact C-N 3.34Å; L123-H125 PolarHBondContact O-N 3Å; H125-Q127 VanDerWaalsContact C-N 3.33Å; H125-Q127 PolarHBondContact O-N 3.24Å; H125-T128 WeakPolarHBondContact O-CB 3.43Å; H125-T128 PolarHBondContact O-N 3.15Å; H125-V129 WeakPolarHBondContact O-CG2 3.41Å; H125-V129 PolarHBondContact O-N 3.42Å
126L96.1Very high92.4Very high0 Ų043.8 Ų43.80%023%0.23CC..Hα-helixtrans-61.1-41.8175.1-179.558000111.6L100 F103 I107 L122 L123 T128 V129 L130 A144 L148 F181L100-L126 HydrophobicContact CD1-CD1 3.76Å; F103-L126 HydrophobicContact CB-CD1 3.89Å; F103-L126 HydrophobicContact CD1-CB 4.44Å; F103-L126 HydrophobicContact CD2-CD1 4.21Å; F103-L126 HydrophobicContact CG-CD1 4.02Å; I107-L126 HydrophobicContact CD1-CD2 3.93Å; L122-L126 WeakPolarHBondContact O-CB 3.47Å; L122-L126 PolarHBondContact O-N 3.41Å; L123-L126 PolarHBondContact O-N 3.33Å; L126-T128 VanDerWaalsContact C-N 3.3Å; L126-T128 PolarHBondContact O-N 2.93Å; L126-V129 PolarHBondContact O-N 2.97Å; L126-L130 HydrophobicContact CD1-CD1 4.14Å; L126-L130 HydrophobicContact CD1-CG 4.19Å; L126-L130 HydrophobicContact CG-CD1 3.99Å; L126-L130 HydrophobicContact CG-CG 4.49Å; L126-L130 WeakPolarHBondContact O-CB 3.47Å; L126-L130 VanDerWaalsContact O-CG 3.32Å; L126-L130 WeakPolarHBondContact O-CG 3.38Å; L126-L130 PolarHBondContact O-N 3.5Å; L126-A144 HydrophobicContact CD2-CB 4.02Å; L126-L148 HydrophobicContact CD2-CD1 4.09Å; L126-F181 HydrophobicContact CB-CE2 4.28Å; L126-F181 HydrophobicContact CD2-CE2 4.27Å; L126-F181 HydrophobicContact CD2-CZ 4.29Å; L126-F181 HydrophobicContact CG-CE2 4.04Å; L126-F181 HydrophobicContact CG-CZ 4.28Å
127Q96.2Very high92.3Very high41 Ų4145.5 Ų45.519%0.19224%0.237CC..Hα-helixtrans-59.6-43.9175.5-173.1-179.867.100111L123 H125 L130 L131 T180 F181 P184 F185L123-Q127 WeakPolarHBondContact O-CB 3.18Å; L123-Q127 PolarHBondContact O-N 2.98Å; H125-Q127 VanDerWaalsContact C-N 3.33Å; H125-Q127 PolarHBondContact O-N 3.24Å; Q127-L130 PolarHBondContact O-N 3.04Å; Q127-L131 HydrophobicContact CG-CD1 3.98Å; Q127-L131 HydrophobicContact CG-CG 4.46Å; Q127-L131 WeakPolarHBondContact O-CB 3.37Å; Q127-L131 VanDerWaalsContact O-CG 3.25Å; Q127-L131 WeakPolarHBondContact O-CG 3.37Å; Q127-L131 PolarHBondContact O-N 3.22Å; Q127-T180 PolarHBondContact NE2-O 3.33Å; Q127-F181 HydrophobicContact CB-CD2 3.72Å; Q127-F181 HydrophobicContact CB-CE2 3.81Å; Q127-F181 HydrophobicContact CG-CD2 4.31Å; Q127-F181 VanDerWaalsContact NE2-CA 3.3Å; Q127-F181 PolarHBondContact NE2-O 2.99Å; Q127-P184 VanDerWaalsContact NE2-CD 3.3Å; Q127-P184 VanDerWaalsContact NE2-CG 3.32Å; Q127-F185 HydrophobicContact CG-CE2 4.36Å; Q127-F185 HydrophobicContact CG-CZ 4.31Å
128T94.9Very high92.2Very high54 Ų5442 Ų4233%0.33122%0.22SC..Hα-helixtrans-61.5-45.1178.3-57.60000111.3P124 H125 L126 L131 Q132P124-T128 PolarHBondContact O-N 3.21Å; P124-T128 PolarHBondContact O-OG1 2.97Å; H125-T128 WeakPolarHBondContact O-CB 3.43Å; H125-T128 PolarHBondContact O-N 3.15Å; L126-T128 VanDerWaalsContact C-N 3.3Å; L126-T128 PolarHBondContact O-N 2.93Å; T128-L131 PolarHBondContact O-N 3.26Å; T128-Q132 VanDerWaalsContact O-CG 3.28Å; T128-Q132 WeakPolarHBondContact O-CG 3.32Å; T128-Q132 PolarHBondContact O-N 3.2Å
129V94.8Very high92.2Very high0 Ų043.8 Ų43.80%023%0.231CC..Hα-helixtrans-63.4-44.9178.4170.20000111.6T91 S96 L99 L100 F103 H125 L126 L131 Q132 L133T91-V129 HydrophobicContact CG2-CG2 3.7Å; S96-V129 WeakPolarHBondContact O-CG1 3.22Å; L99-V129 HydrophobicContact CB-CG1 4.1Å; L99-V129 HydrophobicContact CB-CG2 4.19Å; L99-V129 HydrophobicContact CD1-CG2 3.91Å; L100-V129 HydrophobicContact CB-CG1 4.29Å; F103-V129 HydrophobicContact CE2-CG2 3.93Å; H125-V129 WeakPolarHBondContact O-CG2 3.41Å; H125-V129 PolarHBondContact O-N 3.42Å; L126-V129 PolarHBondContact O-N 2.97Å; V129-L131 PolarHBondContact O-N 3.41Å; V129-Q132 PolarHBondContact O-N 3.48Å; V129-L133 PolarHBondContact O-N 3.34Å
130L95.3Very high92.1Very high0 Ų043.9 Ų43.90%023%0.232CC..Hα-helixtrans-64.4-39.3178.8-72169.8000112.2L100 L126 Q127 Q132 L133 Q137 G140 V141 A144 F181 F185L100-L130 HydrophobicContact CD1-CD2 3.77Å; L100-L130 HydrophobicContact CD1-CG 4.46Å; L100-L130 HydrophobicContact CD2-CD2 4.11Å; L126-L130 HydrophobicContact CD1-CD1 4.14Å; L126-L130 HydrophobicContact CD1-CG 4.19Å; L126-L130 HydrophobicContact CG-CD1 3.99Å; L126-L130 HydrophobicContact CG-CG 4.49Å; L126-L130 WeakPolarHBondContact O-CB 3.47Å; L126-L130 VanDerWaalsContact O-CG 3.32Å; L126-L130 WeakPolarHBondContact O-CG 3.38Å; L126-L130 PolarHBondContact O-N 3.5Å; Q127-L130 PolarHBondContact O-N 3.04Å; L130-Q132 PolarHBondContact O-N 3.19Å; L130-L133 HydrophobicContact CD2-CD1 3.81Å; L130-L133 WeakPolarHBondContact O-CB 3.18Å; L130-L133 PolarHBondContact O-N 2.84Å; L130-Q137 PolarHBondContact O-NE2 3Å; L130-G140 VanDerWaalsContact CD2-C 3.45Å; L130-V141 HydrophobicContact CB-CG2 4.42Å; L130-V141 HydrophobicContact CD1-CG2 4.24Å; L130-V141 HydrophobicContact CD2-CG2 4.37Å; L130-A144 HydrophobicContact CD1-CB 3.9Å; L130-F181 HydrophobicContact CD1-CE2 4.13Å; L130-F181 HydrophobicContact CD1-CZ 3.54Å; L130-F185 HydrophobicContact CB-CE1 4.07Å; L130-F185 HydrophobicContact CB-CZ 3.75Å; L130-F185 HydrophobicContact CD1-CZ 4.15Å
131L93.4Very high92.2Very high83 Ų8342 Ų4244%0.43522%0.223SC..Hα-helixtrans-67.1-20176.2-73.2171.9000113.4Q127 T128 V129 P184 F185Q127-L131 HydrophobicContact CG-CD1 3.98Å; Q127-L131 HydrophobicContact CG-CG 4.46Å; Q127-L131 WeakPolarHBondContact O-CB 3.37Å; Q127-L131 VanDerWaalsContact O-CG 3.25Å; Q127-L131 WeakPolarHBondContact O-CG 3.37Å; Q127-L131 PolarHBondContact O-N 3.22Å; T128-L131 PolarHBondContact O-N 3.26Å; V129-L131 PolarHBondContact O-N 3.41Å; L131-P184 HydrophobicContact CD1-CB 4.4Å; L131-P184 HydrophobicContact CD2-CB 4.15Å; L131-F185 HydrophobicContact CD2-CD1 4.25Å; L131-F185 HydrophobicContact CD2-CE1 3.74Å; L131-F185 HydrophobicContact CD2-CZ 4.34Å; L131-F185 HydrophobicContact CG-CE1 4.08Å; L131-F185 HydrophobicContact CG-CZ 4.27Å
132Q92.2Very high92.3Very high76 Ų7641.3 Ų41.336%0.35522%0.219SC..THydrogen-bonded Turntrans-92.2-3.4177.5-71.3172.4-6.400113.6T91 T128 V129 L130 D134T91-Q132 PolarHBondContact O-OE1 3.14Å; T91-Q132 VanDerWaalsContact O-OE1 3.06Å; T128-Q132 VanDerWaalsContact O-CG 3.28Å; T128-Q132 WeakPolarHBondContact O-CG 3.32Å; T128-Q132 PolarHBondContact O-N 3.2Å; V129-Q132 PolarHBondContact O-N 3.48Å; L130-Q132 PolarHBondContact O-N 3.19Å; Q132-D134 PolarHBondContact O-N 2.98Å
133L89.6Confident92.3Very high25 Ų2545.7 Ų45.713%0.13124%0.241CC..  trans-71.3121.8176.4-70171.7000110.5L100 V129 L130 Q137L100-L133 HydrophobicContact CD2-CD1 4.04Å; V129-L133 PolarHBondContact O-N 3.34Å; L130-L133 HydrophobicContact CD2-CD1 3.81Å; L130-L133 WeakPolarHBondContact O-CB 3.18Å; L130-L133 PolarHBondContact O-N 2.84Å; L133-Q137 HydrophobicContact CB-CB 4.3Å
134D78.2Confident92.4Very high164 Ų16445.3 Ų45.388%0.87724%0.239SC*.SBendtrans-79.5-23.9178-60.7-40.7000112.9Q132Q132-D134 PolarHBondContact O-N 2.98Å
135E81.8Confident92.5Very high148 Ų14842.4 Ų42.469%0.69222%0.221SC*.SBendtrans-139.9148.2-179.3-65-177.1172.300111Q137E135-Q137 PolarHBondContact O-N 3.03Å
136N85.6Confident92.4Very high93 Ų9343.7 Ų43.750%0.49723%0.23SC..  trans5734.3177.5-52.9-67.7000113.1A138 V139 G140 E200N136-A138 VanDerWaalsContact C-N 3.25Å; N136-A138 PolarHBondContact O-N 3.26Å; N136-V139 HydrophobicContact CB-CB 4.24Å; N136-V139 HydrophobicContact CB-CG2 4.28Å; N136-V139 PolarHBondContact O-N 3.01Å; N136-G140 PolarHBondContact O-N 3.02Å; N136-E200 WeakPolarHBondContact CA-OE1 3.2Å; N136-E200 PolarHBondContact N-OE1 2.96Å; N136-E200 VanDerWaalsContact N-OE1 3.14Å
137Q91.8Very high92.4Very high48 Ų4844.3 Ų44.322%0.22424%0.235CC..Hα-helixtrans-61.1-40.7177.6178.2177.282.200110.1L130 L133 E135 V139 G140 V141 E200L130-Q137 PolarHBondContact O-NE2 3Å; L133-Q137 HydrophobicContact CB-CB 4.3Å; E135-Q137 PolarHBondContact O-N 3.03Å; Q137-V139 PolarHBondContact O-N 3.23Å; Q137-G140 PolarHBondContact O-N 3.41Å; Q137-V141 HydrophobicContact CG-CG2 4.22Å; Q137-V141 WeakPolarHBondContact O-CB 3.33Å; Q137-V141 VanDerWaalsContact O-CG2 3.27Å; Q137-V141 WeakPolarHBondContact O-CG2 3.4Å; Q137-V141 PolarHBondContact O-N 3.49Å; Q137-E200 PolarHBondContact N-OE1 3.17Å
138A91.8Very high92.4Very high1 Ų142.3 Ų42.31%0.00823%0.226CC..Hα-helixtrans-56.2-49.3177.300000112.3N136 G140 V141 G142 E200 E203 L204N136-A138 VanDerWaalsContact C-N 3.25Å; N136-A138 PolarHBondContact O-N 3.26Å; A138-G140 PolarHBondContact O-N 3.44Å; A138-V141 PolarHBondContact O-N 3Å; A138-G142 PolarHBondContact O-N 3.44Å; A138-E200 HydrophobicContact CB-CG 3.99Å; A138-E203 HydrophobicContact CB-CB 3.88Å; A138-E203 HydrophobicContact CB-CG 3.82Å; A138-L204 HydrophobicContact CB-CB 3.84Å
139V92.8Very high92.4Very high52 Ų5240.2 Ų40.232%0.31521%0.212SC..Hα-helixtrans-60.8-46.2176.6-1790000110.8N136 Q137 V141 G142 L143 E203N136-V139 HydrophobicContact CB-CB 4.24Å; N136-V139 HydrophobicContact CB-CG2 4.28Å; N136-V139 PolarHBondContact O-N 3.01Å; Q137-V139 PolarHBondContact O-N 3.23Å; V139-V141 PolarHBondContact O-N 3.37Å; V139-G142 PolarHBondContact O-N 3.04Å; V139-L143 HydrophobicContact CG1-CD1 4.1Å; V139-L143 HydrophobicContact CG1-CG 4.39Å; V139-L143 WeakPolarHBondContact O-CG 3.37Å; V139-L143 PolarHBondContact O-N 3.44Å; V139-E203 VanDerWaalsContact CG2-OE1 3.24Å; V139-E203 WeakPolarHBondContact CG2-OE1 3.32Å
140G94.6Very high92.4Very high3 Ų346 Ų463%0.03124%0.237CC..Hα-helixtrans-60.2-43.9178.700000112.7L130 N136 Q137 A138 A144L130-G140 VanDerWaalsContact CD2-C 3.45Å; N136-G140 PolarHBondContact O-N 3.02Å; Q137-G140 PolarHBondContact O-N 3.41Å; A138-G140 PolarHBondContact O-N 3.44Å; G140-A144 WeakPolarHBondContact O-CB 3.36Å; G140-A144 PolarHBondContact O-N 2.91Å
141V95.6Very high92.3Very high0 Ų046.2 Ų46.20%024%0.238CC..Hα-helixtrans-63-44.6175.1171.70000110.7L130 Q137 A138 V139 A144 L145 F185 L204L130-V141 HydrophobicContact CB-CG2 4.42Å; L130-V141 HydrophobicContact CD1-CG2 4.24Å; L130-V141 HydrophobicContact CD2-CG2 4.37Å; Q137-V141 HydrophobicContact CG-CG2 4.22Å; Q137-V141 WeakPolarHBondContact O-CB 3.33Å; Q137-V141 VanDerWaalsContact O-CG2 3.27Å; Q137-V141 WeakPolarHBondContact O-CG2 3.4Å; Q137-V141 PolarHBondContact O-N 3.49Å; A138-V141 PolarHBondContact O-N 3Å; V139-V141 PolarHBondContact O-N 3.37Å; V141-A144 PolarHBondContact O-N 2.82Å; V141-L145 HydrophobicContact CG1-CD1 3.63Å; V141-L145 HydrophobicContact CG1-CG 4.19Å; V141-L145 WeakPolarHBondContact O-CB 3.46Å; V141-L145 VanDerWaalsContact O-CG 3.29Å; V141-L145 WeakPolarHBondContact O-CG 3.39Å; V141-L145 PolarHBondContact O-N 3.21Å; V141-F185 HydrophobicContact CG1-CD2 4.32Å; V141-F185 HydrophobicContact CG1-CG 4.35Å; V141-F185 HydrophobicContact CG2-CD1 3.65Å; V141-F185 HydrophobicContact CG2-CD2 4.33Å; V141-F185 HydrophobicContact CG2-CE1 3.56Å; V141-F185 HydrophobicContact CG2-CE2 4.25Å; V141-F185 HydrophobicContact CG2-CG 4.05Å; V141-F185 HydrophobicContact CG2-CZ 3.89Å; V141-L204 HydrophobicContact CB-CD1 4.11Å; V141-L204 HydrophobicContact CG1-CD1 3.96Å; V141-L204 HydrophobicContact CG2-CD1 4.33Å
142G94.2Very high92.4Very high2 Ų242.3 Ų42.32%0.02122%0.218CC..Hα-helixtrans-61.3-44.217800000113.9A138 V139 S146 E207A138-G142 PolarHBondContact O-N 3.44Å; V139-G142 PolarHBondContact O-N 3.04Å; G142-S146 VanDerWaalsContact O-CB 3.25Å; G142-S146 WeakPolarHBondContact O-CB 3.11Å; G142-S146 PolarHBondContact O-N 2.72Å; G142-S146 PolarHBondContact O-OG 3.23Å; G142-E207 WeakPolarHBondContact CA-OE2 3.26Å
143L95Very high92.4Very high92 Ų9241.1 Ų41.148%0.48222%0.218SC..Hα-helixtrans-62.6-47.8174.8-70.5174.5000111.2L104 V139 S146 A147L104-L143 HydrophobicContact CD1-CB 4.05Å; L104-L143 HydrophobicContact CD1-CD1 4.27Å; L104-L143 HydrophobicContact CD2-CB 4.3Å; V139-L143 HydrophobicContact CG1-CD1 4.1Å; V139-L143 HydrophobicContact CG1-CG 4.39Å; V139-L143 WeakPolarHBondContact O-CG 3.37Å; V139-L143 PolarHBondContact O-N 3.44Å; L143-S146 PolarHBondContact O-N 3.12Å; L143-A147 WeakPolarHBondContact O-CB 3.5Å; L143-A147 PolarHBondContact O-N 3.43Å
144A96.7Very high92.7Very high0 Ų045.6 Ų45.60%023%0.233CC..Hα-helixtrans-59.6-50.1178.100000112L126 L130 G140 V141 S146 A147 L148L126-A144 HydrophobicContact CD2-CB 4.02Å; L130-A144 HydrophobicContact CD1-CB 3.9Å; G140-A144 WeakPolarHBondContact O-CB 3.36Å; G140-A144 PolarHBondContact O-N 2.91Å; V141-A144 PolarHBondContact O-N 2.82Å; A144-S146 VanDerWaalsContact C-N 3.35Å; A144-S146 PolarHBondContact O-N 3.42Å; A144-A147 PolarHBondContact O-N 3.16Å; A144-L148 VanDerWaalsContact O-CB 3.31Å; A144-L148 WeakPolarHBondContact O-CB 3.42Å; A144-L148 WeakPolarHBondContact O-CD1 3.41Å; A144-L148 WeakPolarHBondContact O-CG 3.46Å; A144-L148 PolarHBondContact O-N 2.98Å
145L96.3Very high93.5Very high4 Ų438.4 Ų38.42%0.02120%0.195CC..Hα-helixtrans-63.3-40.6179.6-71173.6000112.1V141 H149 F181 T182 F211V141-L145 HydrophobicContact CG1-CD1 3.63Å; V141-L145 HydrophobicContact CG1-CG 4.19Å; V141-L145 WeakPolarHBondContact O-CB 3.46Å; V141-L145 VanDerWaalsContact O-CG 3.29Å; V141-L145 WeakPolarHBondContact O-CG 3.39Å; V141-L145 PolarHBondContact O-N 3.21Å; L145-H149 WeakPolarHBondContact O-CB 3.18Å; L145-H149 PolarHBondContact O-N 2.98Å; L145-F181 HydrophobicContact CD2-CD1 3.87Å; L145-F181 HydrophobicContact CD2-CE1 3.61Å; L145-F181 HydrophobicContact CG-CE1 4.24Å; L145-T182 HydrophobicContact CD1-CG2 3.93Å; L145-T182 HydrophobicContact CD2-CG2 3.46Å; L145-T182 VanDerWaalsContact CD2-CG2 3.46Å; L145-T182 HydrophobicContact CG-CG2 4.34Å; L145-F211 HydrophobicContact CB-CB 4.33Å; L145-F211 HydrophobicContact CB-CD2 4.4Å; L145-F211 HydrophobicContact CD1-CB 3.92Å; L145-F211 HydrophobicContact CD1-CG 4.24Å; L145-F211 HydrophobicContact CD2-CD2 3.95Å; L145-F211 HydrophobicContact CD2-CE2 4.32Å; L145-F211 HydrophobicContact CD2-CG 4.23Å
146S94.3Very high94.1Very high32 Ų3234.4 Ų34.422%0.22418%0.182CC..Hα-helixtrans-64.8-44.2177.4-600000111.5G142 L143 A144 K150 K210G142-S146 VanDerWaalsContact O-CB 3.25Å; G142-S146 WeakPolarHBondContact O-CB 3.11Å; G142-S146 PolarHBondContact O-N 2.72Å; G142-S146 PolarHBondContact O-OG 3.23Å; L143-S146 PolarHBondContact O-N 3.12Å; A144-S146 VanDerWaalsContact C-N 3.35Å; A144-S146 PolarHBondContact O-N 3.42Å; S146-K150 WeakPolarHBondContact O-CB 3.29Å; S146-K150 PolarHBondContact O-N 3.35Å; S146-K210 WeakPolarHBondContact OG-CE 3.45Å; S146-K210 PolarHBondContact OG-NZ 3.25Å; S146-K210 VanDerWaalsContact OG-NZ 3.08Å
147A95.5Very high94.5Very high12 Ų1231.6 Ų31.610%0.09917%0.168CC..Hα-helixtrans-66.3-46.4178.500000111.6L104 I107 L143 A144 H149 K150 Q151L104-A147 HydrophobicContact CD2-CB 4.06Å; I107-A147 HydrophobicContact CB-CB 4.39Å; I107-A147 HydrophobicContact CG2-CB 3.69Å; L143-A147 WeakPolarHBondContact O-CB 3.5Å; L143-A147 PolarHBondContact O-N 3.43Å; A144-A147 PolarHBondContact O-N 3.16Å; A147-H149 PolarHBondContact O-N 3.31Å; A147-K150 WeakPolarHBondContact O-CB 3.4Å; A147-K150 PolarHBondContact O-N 3.45Å; A147-Q151 WeakPolarHBondContact O-CG 3.48Å; A147-Q151 PolarHBondContact O-N 2.87Å
148L96.3Very high94.5Very high0 Ų030.1 Ų30.10%016%0.162CC..Hα-helixtrans-61.1-44.8177.1-72.8164.2000111.8I107 I119 L123 L126 A144 Q151 L152 L178 F181I107-L148 HydrophobicContact CD1-CD2 3.9Å; I107-L148 HydrophobicContact CD1-CG 4.11Å; I107-L148 HydrophobicContact CG1-CD2 4.32Å; I107-L148 HydrophobicContact CG2-CD2 4.48Å; I119-L148 HydrophobicContact CG1-CD2 4.13Å; I119-L148 HydrophobicContact CG2-CD2 4.35Å; L123-L148 HydrophobicContact CD2-CD1 3.56Å; L123-L148 HydrophobicContact CD2-CD2 4.1Å; L123-L148 HydrophobicContact CD2-CG 4.48Å; L126-L148 HydrophobicContact CD2-CD1 4.09Å; A144-L148 VanDerWaalsContact O-CB 3.31Å; A144-L148 WeakPolarHBondContact O-CB 3.42Å; A144-L148 WeakPolarHBondContact O-CD1 3.41Å; A144-L148 WeakPolarHBondContact O-CG 3.46Å; A144-L148 PolarHBondContact O-N 2.98Å; L148-Q151 PolarHBondContact O-N 3.36Å; L148-L152 WeakPolarHBondContact O-CB 3.48Å; L148-L152 PolarHBondContact O-N 3.49Å; L148-L178 HydrophobicContact CB-CD2 4.02Å; L148-L178 HydrophobicContact CD1-CD2 3.88Å; L148-L178 HydrophobicContact CG-CD2 4.43Å; L148-F181 HydrophobicContact CD1-CE1 4.29Å; L148-F181 HydrophobicContact CD1-CZ 4.38Å
149H94.6Very high94.2Very high9 Ų935.1 Ų35.14%0.04218%0.181CC..Hα-helixtrans-64.6-41.6178.5-175-83.1000111.8L145 A147 Q151 L152 S153 L214 E218L145-H149 WeakPolarHBondContact O-CB 3.18Å; L145-H149 PolarHBondContact O-N 2.98Å; A147-H149 PolarHBondContact O-N 3.31Å; H149-Q151 PolarHBondContact O-N 2.99Å; H149-L152 WeakPolarHBondContact O-CB 3.37Å; H149-L152 PolarHBondContact O-N 3.06Å; H149-L152 VanDerWaalsContact O-N 3.1Å; H149-S153 PolarHBondContact O-N 3.43Å; H149-S153 PolarHBondContact O-OG 2.87Å; H149-L214 HydrophobicContact CB-CD1 4.44Å; H149-L214 VanDerWaalsContact NE2-C 3.3Å; H149-L214 PolarHBondContact NE2-O 2.9Å; H149-L214 VanDerWaalsContact NE2-O 3.15Å; H149-E218 PolarHBondContact NE2-O 2.91Å
150K94Very high94Very high121 Ų12135.6 Ų35.653%0.52619%0.185SC..Hα-helixtrans-57.2-34174.6-179.6-175.8174.6-168.70112.6S146 A147 S153S146-K150 WeakPolarHBondContact O-CB 3.29Å; S146-K150 PolarHBondContact O-N 3.35Å; A147-K150 WeakPolarHBondContact O-CB 3.4Å; A147-K150 PolarHBondContact O-N 3.45Å; K150-S153 PolarHBondContact O-OG 2.94Å; K150-S153 VanDerWaalsContact O-OG 3.12Å
151Q94.9Very high93.6Very high6 Ų640.3 Ų40.33%0.02821%0.206CC..Hα-helixtrans-79.3-40.9174.7-61.1-58.9-18.100111.9I107 E108 M110 I115 I119 A147 L148 H149 S153 R154I107-Q151 HydrophobicContact CG2-CG 3.76Å; I107-Q151 WeakPolarHBondContact O-CG 3.34Å; I107-Q151 PolarHBondContact O-NE2 3.09Å; E108-Q151 PolarHBondContact O-NE2 3.28Å; E108-Q151 VanDerWaalsContact O-NE2 3.14Å; M110-Q151 HydrophobicContact SD-CB 4.08Å; M110-Q151 HydrophobicContact SD-CG 3.73Å; I115-Q151 HydrophobicContact CG2-CB 4.3Å; I119-Q151 HydrophobicContact CD1-CB 4.37Å; A147-Q151 WeakPolarHBondContact O-CG 3.48Å; A147-Q151 PolarHBondContact O-N 2.87Å; L148-Q151 PolarHBondContact O-N 3.36Å; H149-Q151 PolarHBondContact O-N 2.99Å; Q151-S153 VanDerWaalsContact C-N 3.3Å; Q151-S153 PolarHBondContact O-N 3.24Å; Q151-R154 WeakPolarHBondContact O-CB 3.48Å; Q151-R154 PolarHBondContact O-N 3.5Å; Q151-R154 VanDerWaalsContact O-N 3.15Å; Q151-R154 VanDerWaalsContact OE1-CD 3.24Å
152L94.7Very high93.3Very high1 Ų146.7 Ų46.71%0.00524%0.236CC..Hα-helixtrans-58-41176.8-167.379.3000112.2L148 H149 R154 L155 L171 C174 L178L148-L152 WeakPolarHBondContact O-CB 3.48Å; L148-L152 PolarHBondContact O-N 3.49Å; H149-L152 WeakPolarHBondContact O-CB 3.37Å; H149-L152 PolarHBondContact O-N 3.06Å; H149-L152 VanDerWaalsContact O-N 3.1Å; L152-R154 PolarHBondContact O-N 3.18Å; L152-R154 VanDerWaalsContact O-N 3.15Å; L152-L155 HydrophobicContact CD1-CD1 4.22Å; L152-L155 WeakPolarHBondContact O-CB 3.44Å; L152-L155 PolarHBondContact O-N 3.34Å; L152-L171 HydrophobicContact CD1-CD1 3.74Å; L152-L171 HydrophobicContact CD2-CD1 4.29Å; L152-L171 HydrophobicContact CG-CD1 3.72Å; L152-C174 HydrophobicContact CD1-CB 3.34Å; L152-L178 HydrophobicContact CD1-CD1 4.09Å; L152-L178 HydrophobicContact CD2-CD1 3.63Å; L152-L178 HydrophobicContact CG-CD1 4.34Å
153S93.1Very high93.2Very high51 Ų5151.2 Ų51.236%0.35726%0.257SS..THydrogen-bonded Turntrans-67.3-11.8-179.564.70000114.1H149 K150 Q151 L155 E218H149-S153 PolarHBondContact O-N 3.43Å; H149-S153 PolarHBondContact O-OG 2.87Å; K150-S153 PolarHBondContact O-OG 2.94Å; K150-S153 VanDerWaalsContact O-OG 3.12Å; Q151-S153 VanDerWaalsContact C-N 3.3Å; Q151-S153 PolarHBondContact O-N 3.24Å; S153-L155 VanDerWaalsContact C-N 3.34Å; S153-E218 WeakPolarHBondContact CB-OE2 3.42Å
154R94.3Very high93Very high118 Ų11848 Ų4845%0.44524%0.239SC..THydrogen-bonded Turntrans-79.5-17.5172-59.8167.664.3-166.1-1.8112.5M110 P112 I115 Q151 L152M110-R154 PolarHBondContact O-NH1 2.86Å; P112-R154 VanDerWaalsContact CG-NH2 3.35Å; I115-R154 HydrophobicContact CD1-CB 3.89Å; Q151-R154 WeakPolarHBondContact O-CB 3.48Å; Q151-R154 PolarHBondContact O-N 3.5Å; Q151-R154 VanDerWaalsContact O-N 3.15Å; Q151-R154 VanDerWaalsContact OE1-CD 3.24Å; L152-R154 PolarHBondContact O-N 3.18Å; L152-R154 VanDerWaalsContact O-N 3.15Å
155L94.8Very high92.7Very high13 Ų1354.5 Ų54.57%0.06827%0.269CS..SBendtrans-77.7139.7177.5-62.6178.1000110.3I115 L152 S153 H169 L171I115-L155 HydrophobicContact CB-CD2 3.89Å; I115-L155 HydrophobicContact CB-CG 4.46Å; I115-L155 HydrophobicContact CD1-CD2 4.24Å; I115-L155 HydrophobicContact CG2-CD1 4.02Å; I115-L155 HydrophobicContact CG2-CD2 3.93Å; I115-L155 HydrophobicContact CG2-CG 3.93Å; L152-L155 HydrophobicContact CD1-CD1 4.22Å; L152-L155 WeakPolarHBondContact O-CB 3.44Å; L152-L155 PolarHBondContact O-N 3.34Å; S153-L155 VanDerWaalsContact C-N 3.34Å; L155-H169 HydrophobicContact CD2-CB 4.38Å; L155-L171 HydrophobicContact CB-CB 4.25Å; L155-L171 HydrophobicContact CB-CD1 4.17Å; L155-L171 HydrophobicContact CD1-CB 4.19Å; L155-L171 HydrophobicContact CD1-CD1 4.26Å
156P94.5Very high92.5Very high65 Ų6559.4 Ų59.442%0.42230%0.296SS..PPolyproline II helixtrans-68.7137.8178.229.3-34.6000111.1H169P156-H169 HydrophobicContact CG-CB 4.04Å; P156-H169 WeakPolarHBondContact CG-CD2 3.43Å
157V95.1Very high92.5Very high34 Ų3459 Ų5921%0.20629%0.291CS..PPolyproline II helixtrans-80.1126.5174.8-173.60000109.3Y159 L171 P219 E222 A223 L233V157-Y159 PolarHBondContact O-N 2.99Å; V157-L171 HydrophobicContact CB-CD2 4.3Å; V157-L171 HydrophobicContact CG1-CD2 4.43Å; V157-L171 HydrophobicContact CG2-CD2 4.07Å; V157-P219 HydrophobicContact CG1-CB 4.21Å; V157-P219 HydrophobicContact CG2-CB 3.58Å; V157-E222 HydrophobicContact CB-CB 4.21Å; V157-E222 HydrophobicContact CG1-CB 4.22Å; V157-E222 HydrophobicContact CG2-CB 4.11Å; V157-A223 HydrophobicContact CG1-CB 4.09Å; V157-L233 HydrophobicContact CG1-CD1 4.32Å
158P92.4Very high92.3Very high16 Ų1666.5 Ų66.510%0.10432%0.324CS..PPolyproline II helixtrans-63.9135.2179.526.2-33.5000110.4Q163 E164 L233P158-Q163 HydrophobicContact CB-CB 3.76Å; P158-E164 HydrophobicContact CB-CB 4.04Å; P158-E164 HydrophobicContact CG-CB 3.98Å; P158-E164 HydrophobicContact CG-CG 4Å; P158-L233 HydrophobicContact CG-CD1 3.69Å
159Y85.6Confident92.2Very high106 Ų10671 Ų7142%0.41635%0.345SS..  trans-99.3-21.2-178.7-169.8-103000112.6V157 E224 E318V157-Y159 PolarHBondContact O-N 2.99Å; Y159-E224 VanDerWaalsContact O-OE2 3.1Å; Y159-E318 PolarHBondContact OH-OE1 3.38Å
160T88.1Confident92.2Very high63 Ų6370.7 Ų70.739%0.38734%0.344SS..SBendtrans-124.3155.8-178.963.20000110.4Q162 Q163 E164T160-Q162 PolarHBondContact O-N 2.93Å; T160-Q163 VanDerWaalsContact N-OE1 3.09Å; T160-Q163 WeakPolarHBondContact O-CB 3.34Å; T160-Q163 PolarHBondContact O-N 2.97Å; T160-Q163 VanDerWaalsContact O-N 3.11Å; T160-Q163 VanDerWaalsContact OG1-CG 3.27Å; T160-Q163 WeakPolarHBondContact OG1-CG 3.47Å; T160-Q163 PolarHBondContact OG1-N 2.91Å; T160-Q163 PolarHBondContact OG1-OE1 3.42Å; T160-E164 PolarHBondContact O-N 2.98Å
161Q86.1Confident92.3Very high102 Ų10265 Ų6548%0.47732%0.319SS..Hα-helixtrans-52.6-43.9175.6-179.5-176.4-3.600112.3Q163 E164 E165Q161-Q163 VanDerWaalsContact C-N 3.33Å; Q161-Q163 PolarHBondContact O-N 2.91Å; Q161-E164 PolarHBondContact O-N 3.48Å; Q161-E164 VanDerWaalsContact O-N 3.17Å; Q161-E165 HydrophobicContact CG-CG 4.4Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.36Å; Q161-E165 PolarHBondContact NE2-OE1 3.5Å; Q161-E165 WeakPolarHBondContact O-CG 3.21Å; Q161-E165 PolarHBondContact O-N 3.1Å
162Q89.3Confident92.3Very high133 Ų13365 Ų6562%0.62132%0.319SS*.Hα-helixtrans-64-40-178.4-175.1165.15.300111.6T160 E164 E165 D166T160-Q162 PolarHBondContact O-N 2.93Å; Q162-E164 VanDerWaalsContact C-N 3.32Å; Q162-E164 PolarHBondContact O-N 3.31Å; Q162-E165 PolarHBondContact O-N 2.91Å; Q162-D166 WeakPolarHBondContact CG-OD2 3.46Å; Q162-D166 VanDerWaalsContact O-CB 3.29Å; Q162-D166 WeakPolarHBondContact O-CB 3.35Å; Q162-D166 PolarHBondContact O-N 2.92Å
163Q91.9Very high92.3Very high98 Ų9870.8 Ų70.846%0.45834%0.341SS..Hα-helixtrans-65.4-35.7174.7-71.3169.4-30.700112.7P158 T160 Q161 D167P158-Q163 HydrophobicContact CB-CB 3.76Å; T160-Q163 VanDerWaalsContact N-OE1 3.09Å; T160-Q163 WeakPolarHBondContact O-CB 3.34Å; T160-Q163 PolarHBondContact O-N 2.97Å; T160-Q163 VanDerWaalsContact O-N 3.11Å; T160-Q163 VanDerWaalsContact OG1-CG 3.27Å; T160-Q163 WeakPolarHBondContact OG1-CG 3.47Å; T160-Q163 PolarHBondContact OG1-N 2.91Å; T160-Q163 PolarHBondContact OG1-OE1 3.42Å; Q161-Q163 VanDerWaalsContact C-N 3.33Å; Q161-Q163 PolarHBondContact O-N 2.91Å; Q163-D167 PolarHBondContact O-N 3.45Å
164E91.2Very high92.5Very high23 Ų2368.4 Ų68.411%0.10732%0.324CS..Hα-helixtrans-70.1-37.2176.6-162.8-176.7158.900111.8P158 T160 Q161 Q162 C172 S231 T232 L233P158-E164 HydrophobicContact CB-CB 4.04Å; P158-E164 HydrophobicContact CG-CB 3.98Å; P158-E164 HydrophobicContact CG-CG 4Å; T160-E164 PolarHBondContact O-N 2.98Å; Q161-E164 PolarHBondContact O-N 3.48Å; Q161-E164 VanDerWaalsContact O-N 3.17Å; Q162-E164 VanDerWaalsContact C-N 3.32Å; Q162-E164 PolarHBondContact O-N 3.31Å; E164-C172 VanDerWaalsContact CG-SG 3.59Å; E164-S231 WeakPolarHBondContact OE1-CB 3.5Å; E164-S231 PolarHBondContact OE1-OG 2.9Å; E164-S231 VanDerWaalsContact OE2-CB 3.29Å; E164-S231 WeakPolarHBondContact OE2-CB 3.35Å; E164-S231 PolarHBondContact OE2-OG 3.45Å; E164-S231 VanDerWaalsContact OE2-OG 3.09Å; E164-T232 WeakPolarHBondContact OE1-CA 3.38Å; E164-T232 PolarHBondContact OE1-N 2.92Å; E164-L233 HydrophobicContact CG-CD1 4.48Å; E164-L233 PolarHBondContact OE1-N 2.99Å
165E89.4Confident92.6Very high137 Ų13762.8 Ų62.864%0.6430%0.303SS*.Hα-helixtrans-72.1-41.5176.5-73.2174.9-17300112.6Q161 Q162 D167Q161-E165 HydrophobicContact CG-CG 4.4Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.36Å; Q161-E165 PolarHBondContact NE2-OE1 3.5Å; Q161-E165 WeakPolarHBondContact O-CG 3.21Å; Q161-E165 PolarHBondContact O-N 3.1Å; Q162-E165 PolarHBondContact O-N 2.91Å; E165-D167 VanDerWaalsContact C-N 3.27Å; E165-D167 PolarHBondContact O-N 3.23Å
166D92.6Very high92.7Very high108 Ų10865.7 Ų65.758%0.57832%0.322SS*.Hα-helixtrans-68.5-30.8177.5-69.9-23.4000111.2Q162 E168Q162-D166 WeakPolarHBondContact CG-OD2 3.46Å; Q162-D166 VanDerWaalsContact O-CB 3.29Å; Q162-D166 WeakPolarHBondContact O-CB 3.35Å; Q162-D166 PolarHBondContact O-N 2.92Å; D166-E168 PolarHBondContact O-N 3.17Å
167D93.9Very high92.8Very high24 Ų2463.8 Ų63.813%0.12831%0.311CS..  trans40.845-179.3-164.530.5000112.5Q163 E165 H169 G170 L171 C172 R173Q163-D167 PolarHBondContact O-N 3.45Å; E165-D167 VanDerWaalsContact C-N 3.27Å; E165-D167 PolarHBondContact O-N 3.23Å; D167-H169 PolarHBondContact O-N 3.13Å; D167-H169 VanDerWaalsContact O-N 3.09Å; D167-G170 VanDerWaalsContact CG-CA 3.5Å; D167-G170 WeakPolarHBondContact O-CA 3.27Å; D167-G170 PolarHBondContact O-N 2.97Å; D167-G170 VanDerWaalsContact OD1-C 3.27Å; D167-G170 WeakPolarHBondContact OD1-CA 3.43Å; D167-G170 PolarHBondContact OD1-N 2.68Å; D167-G170 WeakPolarHBondContact OD2-CA 3.24Å; D167-L171 PolarHBondContact OD1-N 2.74Å; D167-C172 HydrophobicContact CB-CB 4.35Å; D167-C172 WeakPolarHBondContact OD1-CB 3.29Å; D167-C172 PolarHBondContact OD1-N 2.86Å; D167-C172 PolarHBondContact OD1-SG 2.89Å; D167-C172 WeakPolarHBondContact OD2-CB 3.1Å; D167-C172 PolarHBondContact OD2-N 3.49Å; D167-R173 VanDerWaalsContact OD2-CG 3.3Å; D167-R173 WeakPolarHBondContact OD2-CG 3.45Å; D167-R173 PolarHBondContact OD2-N 3.42Å
168E92.5Very high92.9Very high169 Ų16962.2 Ų62.279%0.7930%0.301SS*.THydrogen-bonded Turntrans-53.4-38.5-169.6-178.1178.7179.100112.4D166D166-E168 PolarHBondContact O-N 3.17Å
169H92.6Very high93Very high95 Ų9561.8 Ų61.844%0.4430%0.298SS..THydrogen-bonded Turntrans-91.5-7.6179.7-61.8-71.7000113.6S116 L155 P156 D167S116-H169 WeakPolarHBondContact CB-O 3.36Å; S116-H169 PolarHBondContact OG-O 3.34Å; S116-H169 VanDerWaalsContact OG-O 3.07Å; L155-H169 HydrophobicContact CD2-CB 4.38Å; P156-H169 HydrophobicContact CG-CB 4.04Å; P156-H169 WeakPolarHBondContact CG-CD2 3.43Å; D167-H169 PolarHBondContact O-N 3.13Å; D167-H169 VanDerWaalsContact O-N 3.09Å
170G94.7Very high93.5Very high2 Ų260 Ų602%0.02130%0.299CS..  trans78.414.4175.200000115.7D167 C172 R173 C174D167-G170 VanDerWaalsContact CG-CA 3.5Å; D167-G170 WeakPolarHBondContact O-CA 3.27Å; D167-G170 PolarHBondContact O-N 2.97Å; D167-G170 VanDerWaalsContact OD1-C 3.27Å; D167-G170 WeakPolarHBondContact OD1-CA 3.43Å; D167-G170 PolarHBondContact OD1-N 2.68Å; D167-G170 WeakPolarHBondContact OD2-CA 3.24Å; G170-C172 VanDerWaalsContact C-N 3.31Å; G170-C172 PolarHBondContact O-N 2.86Å; G170-R173 PolarHBondContact O-N 3.2Å; G170-C174 WeakPolarHBondContact O-CB 3.44Å; G170-C174 PolarHBondContact O-N 3.09Å; G170-C174 PolarHBondContact O-SG 3.32Å
171L96.2Very high93.9Very high2 Ų257.1 Ų57.11%0.0128%0.281CS..Hα-helixtrans-58.5-44.2-179.6175.364.9000111.1L152 L155 V157 D167 C174 C175 P219L152-L171 HydrophobicContact CD1-CD1 3.74Å; L152-L171 HydrophobicContact CD2-CD1 4.29Å; L152-L171 HydrophobicContact CG-CD1 3.72Å; L155-L171 HydrophobicContact CB-CB 4.25Å; L155-L171 HydrophobicContact CB-CD1 4.17Å; L155-L171 HydrophobicContact CD1-CB 4.19Å; L155-L171 HydrophobicContact CD1-CD1 4.26Å; V157-L171 HydrophobicContact CB-CD2 4.3Å; V157-L171 HydrophobicContact CG1-CD2 4.43Å; V157-L171 HydrophobicContact CG2-CD2 4.07Å; D167-L171 PolarHBondContact OD1-N 2.74Å; L171-C174 PolarHBondContact O-N 2.92Å; L171-C175 PolarHBondContact O-N 2.92Å; L171-C175 PolarHBondContact O-SG 3.06Å; L171-P219 HydrophobicContact CD1-CG 4.39Å; L171-P219 HydrophobicContact CD2-CB 3.99Å; L171-P219 HydrophobicContact CD2-CG 4.41Å
172C95.5Very high94.3Very high4 Ų452.3 Ų52.33%0.02726%0.258CS..Hα-helixtrans-66.7-45.5-175.3-57.50000110.8E164 D167 G170 C174 C175 V176 T232E164-C172 VanDerWaalsContact CG-SG 3.59Å; D167-C172 HydrophobicContact CB-CB 4.35Å; D167-C172 WeakPolarHBondContact OD1-CB 3.29Å; D167-C172 PolarHBondContact OD1-N 2.86Å; D167-C172 PolarHBondContact OD1-SG 2.89Å; D167-C172 WeakPolarHBondContact OD2-CB 3.1Å; D167-C172 PolarHBondContact OD2-N 3.49Å; G170-C172 VanDerWaalsContact C-N 3.31Å; G170-C172 PolarHBondContact O-N 2.86Å; C172-C174 VanDerWaalsContact C-N 3.32Å; C172-C174 PolarHBondContact O-N 2.79Å; C172-C175 PolarHBondContact O-N 3.5Å; C172-V176 WeakPolarHBondContact O-CG2 3.37Å; C172-V176 PolarHBondContact O-N 2.95Å; C172-V176 VanDerWaalsContact O-N 3.11Å; C172-T232 HydrophobicContact CB-CG2 3.73Å
173R95.4Very high94.6Very high124 Ų12450.9 Ų50.947%0.46825%0.247SC..Hα-helixtrans-58.2-43.1173.3-73168.566.5-152.6-3.3111.8E117 L120 D167 G170 V176 A177E117-R173 IonicContact OE1-CZ 2.86Å; E117-R173 IonicContact OE1-NH1 2.68Å; E117-R173 PolarHBondContact OE1-NH1 3.2Å; E117-R173 IonicContact OE1-NH2 3.71Å; E117-R173 PolarHBondContact OE1-NH2 3.12Å; E117-R173 IonicContact OE2-NH2 3.51Å; L120-R173 HydrophobicContact CD1-CB 4.17Å; L120-R173 HydrophobicContact CD2-CB 4.48Å; D167-R173 VanDerWaalsContact OD2-CG 3.3Å; D167-R173 WeakPolarHBondContact OD2-CG 3.45Å; D167-R173 PolarHBondContact OD2-N 3.42Å; G170-R173 PolarHBondContact O-N 3.2Å; R173-V176 PolarHBondContact O-N 3.48Å; R173-A177 WeakPolarHBondContact O-CB 3.38Å; R173-A177 PolarHBondContact O-N 2.92Å
174C97Very high94.7Very high0 Ų048.5 Ų48.50%024%0.24CC..Hα-helixtrans-65-42.2177.3-71.40000112.6S116 I119 L152 G170 L171 C172 V176 A177 L178S116-C174 WeakPolarHBondContact CA-SG 3.49Å; I119-C174 HydrophobicContact CG2-CB 4.39Å; L152-C174 HydrophobicContact CD1-CB 3.34Å; G170-C174 WeakPolarHBondContact O-CB 3.44Å; G170-C174 PolarHBondContact O-N 3.09Å; G170-C174 PolarHBondContact O-SG 3.32Å; L171-C174 PolarHBondContact O-N 2.92Å; C172-C174 VanDerWaalsContact C-N 3.32Å; C172-C174 PolarHBondContact O-N 2.79Å; C174-V176 PolarHBondContact O-N 3.36Å; C174-A177 PolarHBondContact O-N 3.43Å; C174-L178 WeakPolarHBondContact O-CB 3.43Å; C174-L178 VanDerWaalsContact O-CG 3.32Å; C174-L178 WeakPolarHBondContact O-CG 3.25Å; C174-L178 PolarHBondContact O-N 3.43Å
175C96.9Very high94.8Very high0 Ų047.6 Ų47.60%024%0.236CC..Hα-helixtrans-56.9-47.1174.7-77.30000111.9L171 C172 A177 L178 V179 F236L171-C175 PolarHBondContact O-N 2.92Å; L171-C175 PolarHBondContact O-SG 3.06Å; C172-C175 PolarHBondContact O-N 3.5Å; C175-A177 PolarHBondContact O-N 2.8Å; C175-L178 PolarHBondContact O-N 2.83Å; C175-V179 PolarHBondContact O-N 2.97Å; C175-V179 VanDerWaalsContact O-N 3.14Å; C175-F236 HydrophobicContact CB-CB 4.32Å; C175-F236 HydrophobicContact CB-CD1 4.14Å; C175-F236 HydrophobicContact CB-CD2 3.68Å; C175-F236 HydrophobicContact CB-CE1 4.41Å; C175-F236 HydrophobicContact CB-CE2 3.96Å; C175-F236 HydrophobicContact CB-CG 3.79Å; C175-F236 HydrophobicContact CB-CZ 4.33Å
176V96.1Very high94.8Very high75 Ų7541.5 Ų41.546%0.45521%0.208SC..Hα-helixtrans-63.1-42.3177.4174.50000111.5C172 R173 C174 V179 T180 T232C172-V176 WeakPolarHBondContact O-CG2 3.37Å; C172-V176 PolarHBondContact O-N 2.95Å; C172-V176 VanDerWaalsContact O-N 3.11Å; R173-V176 PolarHBondContact O-N 3.48Å; C174-V176 PolarHBondContact O-N 3.36Å; V176-V179 PolarHBondContact O-N 2.98Å; V176-T180 PolarHBondContact O-N 3.12Å; V176-T180 VanDerWaalsContact O-N 3.12Å; V176-T180 PolarHBondContact O-OG1 3.04Å; V176-T232 HydrophobicContact CG2-CG2 3.55Å
177A96.8Very high94.6Very high24 Ų2439.1 Ų39.120%0.19820%0.195CC..Hα-helixtrans-65.6-38.7178.300000112L120 L123 R173 C174 C175 T180 F181L120-A177 HydrophobicContact CD2-CB 3.5Å; L120-A177 VanDerWaalsContact CD2-CB 3.5Å; L123-A177 HydrophobicContact CD1-CB 3.51Å; R173-A177 WeakPolarHBondContact O-CB 3.38Å; R173-A177 PolarHBondContact O-N 2.92Å; C174-A177 PolarHBondContact O-N 3.43Å; C175-A177 PolarHBondContact O-N 2.8Å; A177-T180 WeakPolarHBondContact O-CB 3.42Å; A177-T180 PolarHBondContact O-N 3.07Å; A177-F181 WeakPolarHBondContact O-CB 3.34Å; A177-F181 PolarHBondContact O-N 2.92Å
178L96.4Very high93.9Very high1 Ų139.8 Ų39.81%0.00521%0.208CC..Hα-helixtrans-66.5-38.1177.7-76.4170.6000113.1L123 L148 L152 C174 C175 T180 F181 T182 F211L123-L178 HydrophobicContact CD1-CD2 4.27Å; L123-L178 HydrophobicContact CD1-CG 4.43Å; L123-L178 HydrophobicContact CD2-CD2 3.83Å; L148-L178 HydrophobicContact CB-CD2 4.02Å; L148-L178 HydrophobicContact CD1-CD2 3.88Å; L148-L178 HydrophobicContact CG-CD2 4.43Å; L152-L178 HydrophobicContact CD1-CD1 4.09Å; L152-L178 HydrophobicContact CD2-CD1 3.63Å; L152-L178 HydrophobicContact CG-CD1 4.34Å; C174-L178 WeakPolarHBondContact O-CB 3.43Å; C174-L178 VanDerWaalsContact O-CG 3.32Å; C174-L178 WeakPolarHBondContact O-CG 3.25Å; C174-L178 PolarHBondContact O-N 3.43Å; C175-L178 PolarHBondContact O-N 2.83Å; L178-T180 VanDerWaalsContact C-N 3.33Å; L178-F181 WeakPolarHBondContact O-CB 3.32Å; L178-F181 PolarHBondContact O-N 3.47Å; L178-T182 PolarHBondContact O-N 3.21Å; L178-T182 PolarHBondContact O-OG1 2.92Å; L178-F211 HydrophobicContact CB-CZ 4.34Å
179V95Very high93.3Very high7 Ų732.4 Ų32.44%0.04217%0.174CC..Hα-helixtrans-63.4-43.1171.6174.10000110.7C175 V176 F181 T182 R183 F236 E239C175-V179 PolarHBondContact O-N 2.97Å; C175-V179 VanDerWaalsContact O-N 3.14Å; V176-V179 PolarHBondContact O-N 2.98Å; V179-F181 VanDerWaalsContact C-N 3.29Å; V179-F181 PolarHBondContact O-N 3.45Å; V179-T182 WeakPolarHBondContact CA-OG1 3.27Å; V179-T182 PolarHBondContact O-N 3.48Å; V179-T182 PolarHBondContact O-OG1 3.36Å; V179-T182 VanDerWaalsContact O-OG1 3.07Å; V179-R183 PolarHBondContact O-N 2.98Å; V179-F236 HydrophobicContact CG2-CD2 3.45Å; V179-F236 VanDerWaalsContact CG2-CD2 3.45Å; V179-F236 HydrophobicContact CG2-CE2 3.52Å; V179-E239 HydrophobicContact CG1-CB 3.8Å; V179-E239 HydrophobicContact CG1-CG 3.89Å; V179-E239 WeakPolarHBondContact CG1-OE2 3.45Å; V179-E239 HydrophobicContact CG2-CB 4Å
180T95.8Very high92.2Very high68 Ų6832.3 Ų32.342%0.41717%0.172SC..Hα-helixtrans-64.8-37.8177.9-56.50000111.4Q127 V176 A177 L178Q127-T180 PolarHBondContact NE2-O 3.33Å; V176-T180 PolarHBondContact O-N 3.12Å; V176-T180 VanDerWaalsContact O-N 3.12Å; V176-T180 PolarHBondContact O-OG1 3.04Å; A177-T180 WeakPolarHBondContact O-CB 3.42Å; A177-T180 PolarHBondContact O-N 3.07Å; L178-T180 VanDerWaalsContact C-N 3.33Å
181F96.6Very high90.7Very high4 Ų440.7 Ų40.72%0.01821%0.208CC..Hα-helixtrans-63.2-41.3174.8170-93.2000112.5L123 L126 Q127 L130 L145 L148 A177 L178 V179 P184 F185L123-F181 HydrophobicContact CB-CD2 4.28Å; L123-F181 HydrophobicContact CD2-CB 3.91Å; L123-F181 HydrophobicContact CD2-CD1 4.24Å; L123-F181 HydrophobicContact CD2-CD2 3.55Å; L123-F181 HydrophobicContact CD2-CE2 4.09Å; L123-F181 HydrophobicContact CD2-CG 3.64Å; L123-F181 HydrophobicContact CG-CD2 4.5Å; L126-F181 HydrophobicContact CB-CE2 4.28Å; L126-F181 HydrophobicContact CD2-CE2 4.27Å; L126-F181 HydrophobicContact CD2-CZ 4.29Å; L126-F181 HydrophobicContact CG-CE2 4.04Å; L126-F181 HydrophobicContact CG-CZ 4.28Å; Q127-F181 HydrophobicContact CB-CD2 3.72Å; Q127-F181 HydrophobicContact CB-CE2 3.81Å; Q127-F181 HydrophobicContact CG-CD2 4.31Å; Q127-F181 VanDerWaalsContact NE2-CA 3.3Å; Q127-F181 PolarHBondContact NE2-O 2.99Å; L130-F181 HydrophobicContact CD1-CE2 4.13Å; L130-F181 HydrophobicContact CD1-CZ 3.54Å; L145-F181 HydrophobicContact CD2-CD1 3.87Å; L145-F181 HydrophobicContact CD2-CE1 3.61Å; L145-F181 HydrophobicContact CG-CE1 4.24Å; L148-F181 HydrophobicContact CD1-CE1 4.29Å; L148-F181 HydrophobicContact CD1-CZ 4.38Å; A177-F181 WeakPolarHBondContact O-CB 3.34Å; A177-F181 PolarHBondContact O-N 2.92Å; L178-F181 WeakPolarHBondContact O-CB 3.32Å; L178-F181 PolarHBondContact O-N 3.47Å; V179-F181 VanDerWaalsContact C-N 3.29Å; V179-F181 PolarHBondContact O-N 3.45Å; F181-P184 WeakPolarHBondContact O-CD 3.47Å; F181-F185 HydrophobicContact CE1-CE2 4.19Å; F181-F185 HydrophobicContact CZ-CE2 4.19Å; F181-F185 WeakPolarHBondContact O-CE2 3.49Å
182T95.2Very high88.8Confident0 Ų043.5 Ų43.50%022%0.223CC..Hα-helixtrans-76.5-23.3-177.532.90000113.8L145 L178 V179 F185 I186 F211L145-T182 HydrophobicContact CD1-CG2 3.93Å; L145-T182 HydrophobicContact CD2-CG2 3.46Å; L145-T182 VanDerWaalsContact CD2-CG2 3.46Å; L145-T182 HydrophobicContact CG-CG2 4.34Å; L178-T182 PolarHBondContact O-N 3.21Å; L178-T182 PolarHBondContact O-OG1 2.92Å; V179-T182 WeakPolarHBondContact CA-OG1 3.27Å; V179-T182 PolarHBondContact O-N 3.48Å; V179-T182 PolarHBondContact O-OG1 3.36Å; V179-T182 VanDerWaalsContact O-OG1 3.07Å; T182-F185 PolarHBondContact O-N 2.96Å; T182-F185 VanDerWaalsContact O-N 3.12Å; T182-I186 WeakPolarHBondContact O-CG1 3.48Å; T182-I186 PolarHBondContact O-N 3.45Å; T182-F211 HydrophobicContact CG2-CD1 4.07Å; T182-F211 HydrophobicContact CG2-CE1 3.99Å; T182-F211 HydrophobicContact CG2-CZ 4.43Å
183R94.6Very high86.8Confident104 Ų10451 Ų5139%0.39226%0.258SS..Hα-helixtrans-52.5-47.2-171.8-171.5175.2-67.6132.1-0.1115.1V179 F185 I186 D187 E239V179-R183 PolarHBondContact O-N 2.98Å; R183-F185 VanDerWaalsContact C-N 3.28Å; R183-F185 PolarHBondContact O-N 3.41Å; R183-I186 PolarHBondContact O-N 2.8Å; R183-D187 PolarHBondContact O-N 3.32Å; R183-E239 IonicContact NH2-OE2 3.73Å
184P93.7Very high84.9Confident47 Ų4753 Ų5331%0.30528%0.278SS..Hα-helixtrans-61.9-35-179.6-25.537.9000113.5Q127 L131 F181 D187 G188Q127-P184 VanDerWaalsContact NE2-CD 3.3Å; Q127-P184 VanDerWaalsContact NE2-CG 3.32Å; L131-P184 HydrophobicContact CD1-CB 4.4Å; L131-P184 HydrophobicContact CD2-CB 4.15Å; F181-P184 WeakPolarHBondContact O-CD 3.47Å; P184-D187 PolarHBondContact O-N 2.92Å; P184-G188 PolarHBondContact O-N 3.43Å
185F92.9Very high83Confident4 Ų456.6 Ų56.62%0.01830%0.302CS..Hα-helixtrans-72.5-37.5179.3-51.3-67.2000111.3Q127 L130 L131 V141 F181 T182 R183 G188 V189 L204 I208Q127-F185 HydrophobicContact CG-CE2 4.36Å; Q127-F185 HydrophobicContact CG-CZ 4.31Å; L130-F185 HydrophobicContact CB-CE1 4.07Å; L130-F185 HydrophobicContact CB-CZ 3.75Å; L130-F185 HydrophobicContact CD1-CZ 4.15Å; L131-F185 HydrophobicContact CD2-CD1 4.25Å; L131-F185 HydrophobicContact CD2-CE1 3.74Å; L131-F185 HydrophobicContact CD2-CZ 4.34Å; L131-F185 HydrophobicContact CG-CE1 4.08Å; L131-F185 HydrophobicContact CG-CZ 4.27Å; V141-F185 HydrophobicContact CG1-CD2 4.32Å; V141-F185 HydrophobicContact CG1-CG 4.35Å; V141-F185 HydrophobicContact CG2-CD1 3.65Å; V141-F185 HydrophobicContact CG2-CD2 4.33Å; V141-F185 HydrophobicContact CG2-CE1 3.56Å; V141-F185 HydrophobicContact CG2-CE2 4.25Å; V141-F185 HydrophobicContact CG2-CG 4.05Å; V141-F185 HydrophobicContact CG2-CZ 3.89Å; F181-F185 HydrophobicContact CE1-CE2 4.19Å; F181-F185 HydrophobicContact CZ-CE2 4.19Å; F181-F185 WeakPolarHBondContact O-CE2 3.49Å; T182-F185 PolarHBondContact O-N 2.96Å; T182-F185 VanDerWaalsContact O-N 3.12Å; R183-F185 VanDerWaalsContact C-N 3.28Å; R183-F185 PolarHBondContact O-N 3.41Å; F185-G188 PolarHBondContact O-N 3.41Å; F185-V189 PolarHBondContact O-N 3.04Å; F185-L204 HydrophobicContact CB-CD1 4.31Å; F185-I208 HydrophobicContact CB-CD1 4.29Å
186I91Very high81.5Confident9 Ų963.7 Ų63.75%0.04634%0.34CS..Hα-helixtrans-64-43.9173.4-63.1154.7000110.8T182 R183 G188 V189 K190 I208 I243 A246T182-I186 WeakPolarHBondContact O-CG1 3.48Å; T182-I186 PolarHBondContact O-N 3.45Å; R183-I186 PolarHBondContact O-N 2.8Å; I186-G188 VanDerWaalsContact C-N 3.26Å; I186-G188 PolarHBondContact O-N 3.42Å; I186-V189 PolarHBondContact O-N 3.34Å; I186-K190 PolarHBondContact O-N 3.08Å; I186-I208 HydrophobicContact CG1-CD1 4.14Å; I186-I208 HydrophobicContact CG1-CG2 4.18Å; I186-I243 HydrophobicContact CD1-CB 4.4Å; I186-I243 HydrophobicContact CD1-CD1 3.74Å; I186-I243 HydrophobicContact CD1-CG1 3.62Å; I186-I243 HydrophobicContact CD1-CG2 3.89Å; I186-I243 HydrophobicContact CG1-CG2 4.09Å; I186-A246 HydrophobicContact CG2-CB 3.96Å
187D87.4Confident80.2Confident58 Ų5864.4 Ų64.431%0.3135%0.346SS..Hα-helixtrans-69.1-25.8178.6-70.2-22.6000112.5R183 P184 K190 K191R183-D187 PolarHBondContact O-N 3.32Å; P184-D187 PolarHBondContact O-N 2.92Å; D187-K190 PolarHBondContact O-N 3.29Å; D187-K190 IonicContact OD1-NZ 3.83Å; D187-K190 PolarHBondContact OD1-NZ 3.02Å; D187-K191 WeakPolarHBondContact O-CG 3.48Å; D187-K191 PolarHBondContact O-N 2.9Å
188G80.5Confident79.4Confident39 Ų3966.1 Ų66.140%0.40236%0.355SS..Hα-helixtrans-58.7-51.4167.400000111.7P184 F185 I186 K190 K191P184-G188 PolarHBondContact O-N 3.43Å; F185-G188 PolarHBondContact O-N 3.41Å; I186-G188 VanDerWaalsContact C-N 3.26Å; I186-G188 PolarHBondContact O-N 3.42Å; G188-K190 VanDerWaalsContact C-N 3.25Å; G188-K190 PolarHBondContact O-N 3.27Å; G188-K191 PolarHBondContact O-N 3.39Å
189V80Confident78.8Confident14 Ų1471.4 Ų71.49%0.08539%0.389CS..Hα-helixtrans-62.4-29.4179179.10000112.8F185 I186 L204 I208F185-V189 PolarHBondContact O-N 3.04Å; I186-V189 PolarHBondContact O-N 3.34Å; V189-L204 HydrophobicContact CG2-CD2 3.72Å; V189-L204 HydrophobicContact CG2-CG 4.02Å; V189-I208 HydrophobicContact CG2-CD1 4.23Å
190K69.1Low78.3Confident92 Ų9274.5 Ų74.540%0.440%0.403SS..Hα-helixtrans-72.7-31.1179.5-72.3178.2-168.4155.20114.4I186 D187 G188 D192 A246I186-K190 PolarHBondContact O-N 3.08Å; D187-K190 PolarHBondContact O-N 3.29Å; D187-K190 IonicContact OD1-NZ 3.83Å; D187-K190 PolarHBondContact OD1-NZ 3.02Å; G188-K190 VanDerWaalsContact C-N 3.25Å; G188-K190 PolarHBondContact O-N 3.27Å; K190-D192 VanDerWaalsContact C-N 3.33Å; K190-D192 PolarHBondContact O-N 3.27Å; K190-A246 VanDerWaalsContact CE-CB 3.43Å
191K62.8Low77.8Confident179 Ų17973 Ų7378%0.77839%0.392SS*.SBendtrans-76.2-16.7-166.3-79.6176.3-179.6174.40114.3D187 G188 E193D187-K191 WeakPolarHBondContact O-CG 3.48Å; D187-K191 PolarHBondContact O-N 2.9Å; G188-K191 PolarHBondContact O-N 3.39Å; K191-E193 PolarHBondContact O-N 3.36Å
192D56.8Low77.3Confident60 Ų6077.3 Ų77.332%0.32142%0.416SS..  trans-94.866.4179.9-98.6-25.7000113.1K190 C195K190-D192 VanDerWaalsContact C-N 3.33Å; K190-D192 PolarHBondContact O-N 3.27Å; D192-C195 HydrophobicContact CB-CB 4.46Å; D192-C195 WeakPolarHBondContact OD1-CB 3.48Å; D192-C195 PolarHBondContact OD1-SG 2.97Å
193E53.3Low77Confident161 Ų16181.1 Ų81.175%0.75243%0.434SS*.SBendtrans-84.6-18.2164.7-72.7-167154.300112.8K191K191-E193 PolarHBondContact O-N 3.36Å
194N54.8Low76.8Confident168 Ų16876.7 Ų76.790%0.89842%0.417SS*.SBendtrans-105.3-10.1-176.8-82.6-19.1000114.7
195C57.7Low76.7Confident75 Ų7576.4 Ų76.451%0.50741%0.411SS..SBendtrans-107.9152.6175.9-58.80000110.7D192D192-C195 HydrophobicContact CB-CB 4.46Å; D192-C195 WeakPolarHBondContact OD1-CB 3.48Å; D192-C195 PolarHBondContact OD1-SG 2.97Å
196N64.5Low76.5Confident148 Ų14878.5 Ų78.579%0.79143%0.429SS*.PPolyproline II helixtrans-65.7135.8171.5-69.1-33.3000109T198N196-T198 PolarHBondContact O-N 3.29Å
197P68.6Low76.6Confident90 Ų9079.5 Ų79.558%0.58443%0.434SS*.PPolyproline II helixtrans-57.1130.217921.7-30.6000110.1
198T80.3Confident76.9Confident61 Ų6176.7 Ų76.737%0.37442%0.419SS..PPolyproline II helixtrans-83.1157.2174.471.30000110N196 E200 D201 D202N196-T198 PolarHBondContact O-N 3.29Å; T198-E200 PolarHBondContact O-N 2.97Å; T198-D201 WeakPolarHBondContact CB-OD2 3.38Å; T198-D201 PolarHBondContact N-OD2 3.26Å; T198-D201 WeakPolarHBondContact O-CB 3.46Å; T198-D201 PolarHBondContact O-N 3.04Å; T198-D201 VanDerWaalsContact O-N 3.09Å; T198-D201 PolarHBondContact OG1-N 3.44Å; T198-D201 PolarHBondContact OG1-OD2 2.99Å; T198-D202 PolarHBondContact O-N 3.33Å
199P83.4Confident77.4Confident112 Ų11275.6 Ų75.673%0.72740%0.404SS*.Hα-helixtrans-56.2-30.6173.9-2534.5000113.3E203P199-E203 PolarHBondContact O-N 3.19Å; P199-E203 VanDerWaalsContact O-N 3.08Å
200E85.6Confident78Confident71 Ų7177.3 Ų77.333%0.33241%0.41SS..Hα-helixtrans-73.7-32.9178.5-170148.9-167.200112N136 Q137 A138 T198 E203 L204N136-E200 WeakPolarHBondContact CA-OE1 3.2Å; N136-E200 PolarHBondContact N-OE1 2.96Å; N136-E200 VanDerWaalsContact N-OE1 3.14Å; Q137-E200 PolarHBondContact N-OE1 3.17Å; A138-E200 HydrophobicContact CB-CG 3.99Å; T198-E200 PolarHBondContact O-N 2.97Å; E200-E203 PolarHBondContact O-N 3.29Å; E200-L204 WeakPolarHBondContact O-CB 3.32Å; E200-L204 PolarHBondContact O-N 2.88Å
201D84.9Confident79.2Confident37 Ų3773 Ų7320%0.19839%0.391CS..Hα-helixtrans-66.2-41.4172.6-60-48000111.9T198 E203 L204 K205T198-D201 WeakPolarHBondContact CB-OD2 3.38Å; T198-D201 PolarHBondContact N-OD2 3.26Å; T198-D201 WeakPolarHBondContact O-CB 3.46Å; T198-D201 PolarHBondContact O-N 3.04Å; T198-D201 VanDerWaalsContact O-N 3.09Å; T198-D201 PolarHBondContact OG1-N 3.44Å; T198-D201 PolarHBondContact OG1-OD2 2.99Å; D201-E203 VanDerWaalsContact C-N 3.34Å; D201-L204 PolarHBondContact O-N 2.93Å; D201-K205 WeakPolarHBondContact O-CB 3.23Å; D201-K205 PolarHBondContact O-N 3.46Å
202D85.6Confident80.8Confident95 Ų9564.5 Ų64.551%0.50835%0.354SS..Hα-helixtrans-65.4-39176.8-79.5-24.6000111.3T198 A206T198-D202 PolarHBondContact O-N 3.33Å; D202-A206 WeakPolarHBondContact O-CB 3.23Å; D202-A206 PolarHBondContact O-N 2.89Å
203E89.2Confident82.6Confident80 Ų8061.6 Ų61.637%0.37434%0.339SS..Hα-helixtrans-67.1-45.4174.6-172.1169.2-154.100111.8A138 V139 P199 E200 D201 K205 A206 E207A138-E203 HydrophobicContact CB-CB 3.88Å; A138-E203 HydrophobicContact CB-CG 3.82Å; V139-E203 VanDerWaalsContact CG2-OE1 3.24Å; V139-E203 WeakPolarHBondContact CG2-OE1 3.32Å; P199-E203 PolarHBondContact O-N 3.19Å; P199-E203 VanDerWaalsContact O-N 3.08Å; E200-E203 PolarHBondContact O-N 3.29Å; D201-E203 VanDerWaalsContact C-N 3.34Å; E203-K205 VanDerWaalsContact C-N 3.3Å; E203-K205 PolarHBondContact O-N 3.36Å; E203-A206 WeakPolarHBondContact O-CB 3.37Å; E203-A206 PolarHBondContact O-N 3.11Å; E203-A206 VanDerWaalsContact O-N 3.1Å; E203-E207 PolarHBondContact O-N 2.83Å
204L91.1Very high84.5Confident10 Ų1055.2 Ų55.25%0.05231%0.31CS..Hα-helixtrans-61-43177179.159.7000110.9A138 V141 F185 V189 E200 D201 A206 E207 I208A138-L204 HydrophobicContact CB-CB 3.84Å; V141-L204 HydrophobicContact CB-CD1 4.11Å; V141-L204 HydrophobicContact CG1-CD1 3.96Å; V141-L204 HydrophobicContact CG2-CD1 4.33Å; F185-L204 HydrophobicContact CB-CD1 4.31Å; V189-L204 HydrophobicContact CG2-CD2 3.72Å; V189-L204 HydrophobicContact CG2-CG 4.02Å; E200-L204 WeakPolarHBondContact O-CB 3.32Å; E200-L204 PolarHBondContact O-N 2.88Å; D201-L204 PolarHBondContact O-N 2.93Å; L204-A206 VanDerWaalsContact C-N 3.32Å; L204-A206 PolarHBondContact O-N 2.79Å; L204-E207 PolarHBondContact O-N 3.16Å; L204-I208 HydrophobicContact CD1-CD1 4.03Å; L204-I208 HydrophobicContact CD1-CG1 4.27Å; L204-I208 HydrophobicContact CG-CD1 3.91Å; L204-I208 VanDerWaalsContact O-CG1 3.31Å; L204-I208 WeakPolarHBondContact O-CG1 3.38Å; L204-I208 PolarHBondContact O-N 3.41Å
205K90.4Very high86.5Confident41 Ų4147.2 Ų47.218%0.17827%0.267CS..Hα-helixtrans-58.6-43.8173.8172174.8172.2174.50111.7D201 E203 I208 L209 I247 K248 E249D201-K205 WeakPolarHBondContact O-CB 3.23Å; D201-K205 PolarHBondContact O-N 3.46Å; E203-K205 VanDerWaalsContact C-N 3.3Å; E203-K205 PolarHBondContact O-N 3.36Å; K205-I208 PolarHBondContact O-N 3.47Å; K205-L209 WeakPolarHBondContact O-CB 3.2Å; K205-L209 PolarHBondContact O-N 2.92Å; K205-I247 WeakPolarHBondContact CD-O 3.32Å; K205-I247 WeakPolarHBondContact CE-O 3.46Å; K205-I247 HydrophobicContact CG-CB 4.24Å; K205-I247 HydrophobicContact CG-CD1 4.36Å; K205-I247 PolarHBondContact NZ-O 3.46Å; K205-I247 VanDerWaalsContact NZ-O 3.09Å; K205-K248 PolarHBondContact NZ-O 3.05Å; K205-E249 WeakPolarHBondContact CE-OE1 3.5Å; K205-E249 IonicContact NZ-OE1 2.84Å; K205-E249 PolarHBondContact NZ-OE1 2.91Å
206A89.4Confident88.3Confident48 Ų4843.6 Ų43.640%0.39724%0.243SC..Hα-helixtrans-63.3-41.9178.200000112D202 E203 L204 L209 K210D202-A206 WeakPolarHBondContact O-CB 3.23Å; D202-A206 PolarHBondContact O-N 2.89Å; E203-A206 WeakPolarHBondContact O-CB 3.37Å; E203-A206 PolarHBondContact O-N 3.11Å; E203-A206 VanDerWaalsContact O-N 3.1Å; L204-A206 VanDerWaalsContact C-N 3.32Å; L204-A206 PolarHBondContact O-N 2.79Å; A206-L209 PolarHBondContact O-N 2.86Å; A206-K210 WeakPolarHBondContact O-CB 3.15Å; A206-K210 PolarHBondContact O-N 2.75Å
207E92.5Very high89.7Confident30 Ų3038.6 Ų38.614%0.1421%0.214CC..Hα-helixtrans-70.8-36.8178.4-70.2-58140.700112.8G142 E203 L204 K210 F211G142-E207 WeakPolarHBondContact CA-OE2 3.26Å; E203-E207 PolarHBondContact O-N 2.83Å; L204-E207 PolarHBondContact O-N 3.16Å; E207-K210 WeakPolarHBondContact O-CB 3.29Å; E207-K210 PolarHBondContact O-N 3.44Å; E207-K210 IonicContact OE1-NZ 3.16Å; E207-K210 IonicContact OE2-NZ 2.75Å; E207-K210 PolarHBondContact OE2-NZ 2.98Å; E207-K210 VanDerWaalsContact OE2-NZ 3.15Å; E207-F211 PolarHBondContact O-N 3.22Å
208I93.9Very high90.8Very high0 Ų036.9 Ų36.90%020%0.198CC..Hα-helixtrans-66.7-41.8172.4-65.2167.7000110.9F185 I186 V189 L204 K205 K210 F211 C212 I243 I247F185-I208 HydrophobicContact CB-CD1 4.29Å; I186-I208 HydrophobicContact CG1-CD1 4.14Å; I186-I208 HydrophobicContact CG1-CG2 4.18Å; V189-I208 HydrophobicContact CG2-CD1 4.23Å; L204-I208 HydrophobicContact CD1-CD1 4.03Å; L204-I208 HydrophobicContact CD1-CG1 4.27Å; L204-I208 HydrophobicContact CG-CD1 3.91Å; L204-I208 VanDerWaalsContact O-CG1 3.31Å; L204-I208 WeakPolarHBondContact O-CG1 3.38Å; L204-I208 PolarHBondContact O-N 3.41Å; K205-I208 PolarHBondContact O-N 3.47Å; I208-K210 VanDerWaalsContact C-N 3.28Å; I208-K210 PolarHBondContact O-N 3.01Å; I208-F211 WeakPolarHBondContact O-CB 3.41Å; I208-F211 PolarHBondContact O-N 3.37Å; I208-C212 PolarHBondContact O-N 3.16Å; I208-C212 PolarHBondContact O-SG 3.44Å; I208-I243 HydrophobicContact CG2-CG2 3.66Å; I208-I247 HydrophobicContact CB-CG2 4.41Å; I208-I247 HydrophobicContact CD1-CG2 4.38Å; I208-I247 HydrophobicContact CG2-CD1 4.26Å; I208-I247 HydrophobicContact CG2-CG2 3.89Å
209L92.6Very high91.5Very high16 Ų1634.2 Ų34.28%0.08418%0.182CC..Hα-helixtrans-59.2-43.5173.9175.858.1000110.4K205 A206 F211 C212 M213 L244 I247 E249 L254 F263K205-L209 WeakPolarHBondContact O-CB 3.2Å; K205-L209 PolarHBondContact O-N 2.92Å; A206-L209 PolarHBondContact O-N 2.86Å; L209-F211 VanDerWaalsContact C-N 3.35Å; L209-F211 PolarHBondContact O-N 3.35Å; L209-C212 WeakPolarHBondContact O-CB 3.36Å; L209-C212 PolarHBondContact O-N 3.33Å; L209-C212 VanDerWaalsContact O-N 3.11Å; L209-M213 HydrophobicContact CD1-CG 4.15Å; L209-M213 HydrophobicContact CD1-SD 4.41Å; L209-M213 HydrophobicContact CG-CG 4.44Å; L209-M213 WeakPolarHBondContact O-CG 3.43Å; L209-M213 PolarHBondContact O-N 3.16Å; L209-L244 HydrophobicContact CD1-CD2 3.7Å; L209-I247 HydrophobicContact CB-CD1 3.86Å; L209-E249 HydrophobicContact CD1-CG 4.23Å; L209-E249 HydrophobicContact CD2-CG 4.15Å; L209-L254 HydrophobicContact CD1-CD1 4.4Å; L209-L254 HydrophobicContact CD1-CD2 4.35Å; L209-F263 HydrophobicContact CD2-CE1 4.12Å
210K92.3Very high92.1Very high49 Ų4928.9 Ų28.921%0.21315%0.147CC..Hα-helixtrans-58.2-45.3176.1162.7157.5167.5-134.50112.3S146 A206 E207 I208 C212 M213 L214 M266S146-K210 WeakPolarHBondContact OG-CE 3.45Å; S146-K210 PolarHBondContact OG-NZ 3.25Å; S146-K210 VanDerWaalsContact OG-NZ 3.08Å; A206-K210 WeakPolarHBondContact O-CB 3.15Å; A206-K210 PolarHBondContact O-N 2.75Å; E207-K210 WeakPolarHBondContact O-CB 3.29Å; E207-K210 PolarHBondContact O-N 3.44Å; E207-K210 IonicContact OE1-NZ 3.16Å; E207-K210 IonicContact OE2-NZ 2.75Å; E207-K210 PolarHBondContact OE2-NZ 2.98Å; E207-K210 VanDerWaalsContact OE2-NZ 3.15Å; I208-K210 VanDerWaalsContact C-N 3.28Å; I208-K210 PolarHBondContact O-N 3.01Å; K210-C212 VanDerWaalsContact C-N 3.34Å; K210-C212 PolarHBondContact O-N 2.89Å; K210-M213 PolarHBondContact O-N 3.41Å; K210-L214 HydrophobicContact CG-CD1 4.06Å; K210-L214 WeakPolarHBondContact O-CB 3.49Å; K210-L214 VanDerWaalsContact O-CG 3.3Å; K210-L214 WeakPolarHBondContact O-CG 3.22Å; K210-L214 PolarHBondContact O-N 3.5Å; K210-M266 HydrophobicContact CB-CE 3.43Å; K210-M266 VanDerWaalsContact CB-CE 3.43Å; K210-M266 HydrophobicContact CD-CE 3.79Å; K210-M266 HydrophobicContact CG-CE 3.27Å
211F94.6Very high92.6Very high2 Ų225.6 Ų25.61%0.00913%0.132CC..Hα-helixtrans-58.8-42.3172.7165.8-103000112.8L145 L178 T182 E207 I208 L209 L214 S215 I240L145-F211 HydrophobicContact CB-CB 4.33Å; L145-F211 HydrophobicContact CB-CD2 4.4Å; L145-F211 HydrophobicContact CD1-CB 3.92Å; L145-F211 HydrophobicContact CD1-CG 4.24Å; L145-F211 HydrophobicContact CD2-CD2 3.95Å; L145-F211 HydrophobicContact CD2-CE2 4.32Å; L145-F211 HydrophobicContact CD2-CG 4.23Å; L178-F211 HydrophobicContact CB-CZ 4.34Å; T182-F211 HydrophobicContact CG2-CD1 4.07Å; T182-F211 HydrophobicContact CG2-CE1 3.99Å; T182-F211 HydrophobicContact CG2-CZ 4.43Å; E207-F211 PolarHBondContact O-N 3.22Å; I208-F211 WeakPolarHBondContact O-CB 3.41Å; I208-F211 PolarHBondContact O-N 3.37Å; L209-F211 VanDerWaalsContact C-N 3.35Å; L209-F211 PolarHBondContact O-N 3.35Å; F211-L214 PolarHBondContact O-N 3.23Å; F211-S215 WeakPolarHBondContact CE2-OG 3.28Å; F211-S215 WeakPolarHBondContact O-CB 3.32Å; F211-S215 PolarHBondContact O-N 3.38Å; F211-S215 PolarHBondContact O-OG 2.82Å; F211-I240 HydrophobicContact CE1-CD1 3.78Å; F211-I240 HydrophobicContact CZ-CD1 4.25Å
212C95.2Very high93Very high0 Ų026.6 Ų26.60%014%0.135CC..Hα-helixtrans-63.2-45.6177.4-64.30000111.5I208 L209 K210 S215 L216 I240 I243 L244I208-C212 PolarHBondContact O-N 3.16Å; I208-C212 PolarHBondContact O-SG 3.44Å; L209-C212 WeakPolarHBondContact O-CB 3.36Å; L209-C212 PolarHBondContact O-N 3.33Å; L209-C212 VanDerWaalsContact O-N 3.11Å; K210-C212 VanDerWaalsContact C-N 3.34Å; K210-C212 PolarHBondContact O-N 2.89Å; C212-S215 PolarHBondContact O-N 3.26Å; C212-L216 WeakPolarHBondContact O-CB 3.4Å; C212-L216 VanDerWaalsContact O-CG 3.28Å; C212-L216 WeakPolarHBondContact O-CG 3.36Å; C212-L216 PolarHBondContact O-N 2.92Å; C212-I240 HydrophobicContact CB-CG2 4.04Å; C212-I243 VanDerWaalsContact SG-CG2 3.53Å; C212-L244 HydrophobicContact CB-CD2 3.77Å; C212-L244 HydrophobicContact CB-CG 4.47Å
213M93.9Very high93.4Very high0 Ų022.1 Ų22.10%011%0.112CC..Hα-helixtrans-63-45.6178.1-63.4-55.2-79.300111.2L209 K210 S215 L216 K217 M266 S274 T275L209-M213 HydrophobicContact CD1-CG 4.15Å; L209-M213 HydrophobicContact CD1-SD 4.41Å; L209-M213 HydrophobicContact CG-CG 4.44Å; L209-M213 WeakPolarHBondContact O-CG 3.43Å; L209-M213 PolarHBondContact O-N 3.16Å; K210-M213 PolarHBondContact O-N 3.41Å; M213-S215 VanDerWaalsContact C-N 3.32Å; M213-S215 PolarHBondContact O-N 2.9Å; M213-L216 WeakPolarHBondContact O-CB 3.42Å; M213-L216 PolarHBondContact O-N 3.48Å; M213-L216 HydrophobicContact SD-CD1 4.04Å; M213-K217 PolarHBondContact O-N 3.34Å; M213-M266 HydrophobicContact CB-CE 4.17Å; M213-M266 HydrophobicContact CB-SD 4.13Å; M213-M266 HydrophobicContact CG-SD 4.43Å; M213-S274 WeakPolarHBondContact O-CB 3.48Å; M213-S274 PolarHBondContact O-OG 3.06Å; M213-T275 HydrophobicContact CE-CG2 3.69Å
214L93.9Very high93.4Very high26 Ų2623.9 Ų23.914%0.13612%0.12CC..Hα-helixtrans-57.2-44.6174.1-75.8173.3000112H149 K210 F211 L216 K217 E218 L270H149-L214 HydrophobicContact CB-CD1 4.44Å; H149-L214 VanDerWaalsContact NE2-C 3.3Å; H149-L214 PolarHBondContact NE2-O 2.9Å; H149-L214 VanDerWaalsContact NE2-O 3.15Å; K210-L214 HydrophobicContact CG-CD1 4.06Å; K210-L214 WeakPolarHBondContact O-CB 3.49Å; K210-L214 VanDerWaalsContact O-CG 3.3Å; K210-L214 WeakPolarHBondContact O-CG 3.22Å; K210-L214 PolarHBondContact O-N 3.5Å; F211-L214 PolarHBondContact O-N 3.23Å; L214-L216 PolarHBondContact O-N 2.88Å; L214-K217 PolarHBondContact O-N 3.45Å; L214-E218 PolarHBondContact O-N 3Å; L214-L270 HydrophobicContact CD2-CD1 3.91Å; L214-L270 HydrophobicContact CD2-CD2 3.84Å; L214-L270 HydrophobicContact CD2-CG 4.4Å
215S95.9Very high93.3Very high0 Ų023.8 Ų23.80%012%0.119CC..Hα-helixtrans-65.6-36.4178.3-60.60000113.3F211 C212 M213 E218 L220F211-S215 WeakPolarHBondContact CE2-OG 3.28Å; F211-S215 WeakPolarHBondContact O-CB 3.32Å; F211-S215 PolarHBondContact O-N 3.38Å; F211-S215 PolarHBondContact O-OG 2.82Å; C212-S215 PolarHBondContact O-N 3.26Å; M213-S215 VanDerWaalsContact C-N 3.32Å; M213-S215 PolarHBondContact O-N 2.9Å; S215-E218 CarbonylContact C-O 3.59Å; S215-E218 VanDerWaalsContact CA-O 3.3Å; S215-E218 WeakPolarHBondContact CA-O 3.31Å; S215-E218 CarbonylContact O-C 3.47Å; S215-L220 VanDerWaalsContact O-CB 3.31Å; S215-L220 WeakPolarHBondContact O-CB 3.34Å; S215-L220 WeakPolarHBondContact O-CG 3.34Å; S215-L220 PolarHBondContact O-N 3.01Å
216L96.1Very high92.8Very high0 Ų025.1 Ų25.10%013%0.129CC..Hα-helixtrans-64.9-42.4174.8-75.4167.3000111.4C212 M213 L214 L220 L221 I240 C277 L278 L281C212-L216 WeakPolarHBondContact O-CB 3.4Å; C212-L216 VanDerWaalsContact O-CG 3.28Å; C212-L216 WeakPolarHBondContact O-CG 3.36Å; C212-L216 PolarHBondContact O-N 2.92Å; M213-L216 WeakPolarHBondContact O-CB 3.42Å; M213-L216 PolarHBondContact O-N 3.48Å; M213-L216 HydrophobicContact SD-CD1 4.04Å; L214-L216 PolarHBondContact O-N 2.88Å; L216-L220 HydrophobicContact CD2-CD1 4.26Å; L216-L221 PolarHBondContact O-N 3.44Å; L216-I240 HydrophobicContact CD2-CG2 4.17Å; L216-I240 HydrophobicContact CG-CG2 4.01Å; L216-C277 HydrophobicContact CB-CB 4.3Å; L216-C277 WeakPolarHBondContact O-CB 3.31Å; L216-C277 PolarHBondContact O-SG 3.38Å; L216-L278 HydrophobicContact CD1-CB 4.15Å; L216-L278 HydrophobicContact CD1-CD1 4.29Å; L216-L281 HydrophobicContact CD2-CD1 3.47Å; L216-L281 VanDerWaalsContact CD2-CD1 3.47Å
217K93.4Very high92.2Very high42 Ų4227.4 Ų27.418%0.18313%0.131CC..Hα-helixtrans-67.7-53.1173.7177.2179.7168.91490111.3M213 L214 L221 L270 E273M213-K217 PolarHBondContact O-N 3.34Å; L214-K217 PolarHBondContact O-N 3.45Å; K217-L221 WeakPolarHBondContact O-CB 3.36Å; K217-L221 PolarHBondContact O-N 3.19Å; K217-L270 HydrophobicContact CD-CD1 3.32Å; K217-L270 HydrophobicContact CD-CG 4.45Å; K217-E273 WeakPolarHBondContact CE-OE2 3.47Å; K217-E273 HydrophobicContact CG-CB 4.37Å; K217-E273 IonicContact NZ-OE2 3.87Å; K217-E273 PolarHBondContact NZ-OE2 2.99Å
218E93.1Very high91.5Very high54 Ų5433 Ų3325%0.25216%0.162SC..THydrogen-bonded Turntrans-139.8123.7-176.1-81.6161.2-152.800109H149 S153 L214 S215H149-E218 PolarHBondContact NE2-O 2.91Å; S153-E218 WeakPolarHBondContact CB-OE2 3.42Å; L214-E218 PolarHBondContact O-N 3Å; S215-E218 CarbonylContact C-O 3.59Å; S215-E218 VanDerWaalsContact CA-O 3.3Å; S215-E218 WeakPolarHBondContact CA-O 3.31Å; S215-E218 CarbonylContact O-C 3.47Å
219P94.9Very high90.6Very high6 Ų639.6 Ų39.64%0.03919%0.187CC..THydrogen-bonded Turncis-90.1-7.98.635.2-36.7000114.8V157 L171 L221 E222 A223 L233 F236V157-P219 HydrophobicContact CG1-CB 4.21Å; V157-P219 HydrophobicContact CG2-CB 3.58Å; L171-P219 HydrophobicContact CD1-CG 4.39Å; L171-P219 HydrophobicContact CD2-CB 3.99Å; L171-P219 HydrophobicContact CD2-CG 4.41Å; P219-L221 VanDerWaalsContact C-N 3.34Å; P219-L221 PolarHBondContact O-N 3.14Å; P219-E222 PolarHBondContact O-N 3.23Å; P219-A223 PolarHBondContact O-N 3.27Å; P219-L233 HydrophobicContact CG-CD2 4.22Å; P219-F236 HydrophobicContact CG-CE1 4.34Å
220L96Very high90.2Very high0 Ų046 Ų460%021%0.214CC..THydrogen-bonded Turntrans-66.2-29.1-163.1-71177000114.8S215 L216 E222 L233 F236 A237 I240 L281 K323S215-L220 VanDerWaalsContact O-CB 3.31Å; S215-L220 WeakPolarHBondContact O-CB 3.34Å; S215-L220 WeakPolarHBondContact O-CG 3.34Å; S215-L220 PolarHBondContact O-N 3.01Å; L216-L220 HydrophobicContact CD2-CD1 4.26Å; L220-E222 VanDerWaalsContact C-N 3.28Å; L220-E222 PolarHBondContact O-N 3.32Å; L220-L233 WeakPolarHBondContact CD2-O 3.47Å; L220-F236 HydrophobicContact CD1-CD1 4.08Å; L220-F236 HydrophobicContact CD1-CE1 4.18Å; L220-F236 HydrophobicContact CD2-CD1 3.76Å; L220-F236 HydrophobicContact CD2-CE1 4.43Å; L220-F236 HydrophobicContact CG-CD1 3.88Å; L220-F236 HydrophobicContact CG-CE1 4.06Å; L220-A237 HydrophobicContact CD1-CB 3.99Å; L220-A237 HydrophobicContact CD2-CB 3.75Å; L220-I240 HydrophobicContact CD1-CB 4.48Å; L220-I240 HydrophobicContact CD1-CG1 4.22Å; L220-L281 HydrophobicContact CD1-CD1 4.47Å; L220-K323 PolarHBondContact O-NZ 2.93Å
221L95.1Very high90Very high1 Ų145.1 Ų45.11%0.00521%0.214CC..THydrogen-bonded Turntrans-71.1-26.6176.4-172.454000112.1L216 K217 P219 E273 C277 L312 H320 K323L216-L221 PolarHBondContact O-N 3.44Å; K217-L221 WeakPolarHBondContact O-CB 3.36Å; K217-L221 PolarHBondContact O-N 3.19Å; P219-L221 VanDerWaalsContact C-N 3.34Å; P219-L221 PolarHBondContact O-N 3.14Å; L221-E273 HydrophobicContact CD2-CB 3.97Å; L221-C277 HydrophobicContact CB-CB 4.28Å; L221-C277 HydrophobicContact CD1-CB 3.91Å; L221-L312 HydrophobicContact CD1-CD2 3.63Å; L221-H320 WeakPolarHBondContact CD2-NE2 3.4Å; L221-K323 HydrophobicContact CD1-CD 3.98Å; L221-K323 WeakPolarHBondContact O-CD 3.36Å; L221-K323 PolarHBondContact O-NZ 3.06Å
222E94.1Very high90Very high58 Ų5847.4 Ų47.427%0.27123%0.228SC..THydrogen-bonded Turntrans-89.8-27.9176.9-60.5-162.9169.900113.2V157 P219 L220 K317 S319V157-E222 HydrophobicContact CB-CB 4.21Å; V157-E222 HydrophobicContact CG1-CB 4.22Å; V157-E222 HydrophobicContact CG2-CB 4.11Å; P219-E222 PolarHBondContact O-N 3.23Å; L220-E222 VanDerWaalsContact C-N 3.28Å; L220-E222 PolarHBondContact O-N 3.32Å; E222-K317 IonicContact OE1-NZ 2.8Å; E222-K317 PolarHBondContact OE1-NZ 3.13Å; E222-S319 WeakPolarHBondContact O-CB 3.42Å
223A93.3Very high89.9Confident2 Ų247.4 Ų47.42%0.01723%0.228CC..SBendtrans-59.8138.8-178.200000113.1V157 P219 L225 L233 K323V157-A223 HydrophobicContact CG1-CB 4.09Å; P219-A223 PolarHBondContact O-N 3.27Å; A223-L225 HydrophobicContact CB-CD2 4.05Å; A223-L225 HydrophobicContact CB-CG 4.28Å; A223-L225 PolarHBondContact O-N 2.84Å; A223-L233 HydrophobicContact CB-CB 4.31Å; A223-L233 HydrophobicContact CB-CD1 3.77Å; A223-K323 WeakPolarHBondContact O-CE 3.28Å; A223-K323 PolarHBondContact O-NZ 3.36Å
224E89.3Confident90Very high117 Ų11748.8 Ų48.855%0.54723%0.233SC..  trans-78.7115166.9-168.2177.9-178.100109.1Y159Y159-E224 VanDerWaalsContact O-OE2 3.1Å
225L89.2Confident90Very high7 Ų751.7 Ų51.74%0.03725%0.248CC..  trans-114.5124.2-176.2-59.4176.6000109.6A223 L233 W234 A237 Y280 L281 Q285A223-L225 HydrophobicContact CB-CD2 4.05Å; A223-L225 HydrophobicContact CB-CG 4.28Å; A223-L225 PolarHBondContact O-N 2.84Å; L225-L233 HydrophobicContact CD2-CB 4.14Å; L225-W234 HydrophobicContact CD2-CB 4.41Å; L225-A237 HydrophobicContact CD1-CB 4.34Å; L225-Y280 HydrophobicContact CD1-CE1 4.4Å; L225-L281 HydrophobicContact CD1-CD2 3.27Å; L225-Q285 PolarHBondContact O-NE2 3.49Å; L225-Q285 VanDerWaalsContact O-NE2 3.08Å
226N80.4Confident90Very high70 Ų7051.9 Ų51.937%0.37425%0.249SC..BIsolated β-bridgetrans-119.4121.4-178.1-171.7-27.9000110.7D228 R229N226-D228 PolarHBondContact O-N 2.87Å; N226-D228 WeakPolarHBondContact OD1-CB 3.48Å; N226-D228 PolarHBondContact OD1-N 2.78Å; N226-R229 HydrophobicContact CB-CB 4.44Å; N226-R229 CarbonylContact O-C 3.59Å; N226-R229 PolarHBondContact O-N 3.03Å; N226-R229 VanDerWaalsContact O-N 3.09Å
227Q75.4Confident90Very high96 Ų9651.9 Ų51.945%0.44925%0.249SC..THydrogen-bonded Turntrans-60.7-32.8-179.4-169.2179.7700113.2R229 Q285Q227-R229 PolarHBondContact O-N 2.95Å; Q227-Q285 VanDerWaalsContact N-OE1 3.12Å
228D78.3Confident90.1Very high146 Ų14651.4 Ų51.478%0.78125%0.25SS*.THydrogen-bonded Turntrans-74.5-14.7-179.2-64.3-34.7000112.3N226N226-D228 PolarHBondContact O-N 2.87Å; N226-D228 WeakPolarHBondContact OD1-CB 3.48Å; N226-D228 PolarHBondContact OD1-N 2.78Å
229R75Confident90.3Very high140 Ų14052.3 Ų52.353%0.52825%0.254SS..BIsolated β-bridgetrans-134.2111.2-172.4-62.7-172.9-179.2-170.30.9111.3N226 Q227 S231N226-R229 HydrophobicContact CB-CB 4.44Å; N226-R229 CarbonylContact O-C 3.59Å; N226-R229 PolarHBondContact O-N 3.03Å; N226-R229 VanDerWaalsContact O-N 3.09Å; Q227-R229 PolarHBondContact O-N 2.95Å; R229-S231 PolarHBondContact O-N 3.37Å
230K83.8Confident90.3Very high150 Ų15052 Ų5265%0.65225%0.252SS*.  trans-77.768.5178.2-56.9-173.8178-177.60111.3W234 L235K230-W234 HydrophobicContact CB-CD2 4.32Å; K230-W234 HydrophobicContact CB-CE3 3.67Å; K230-W234 HydrophobicContact CB-CZ3 3.93Å; K230-W234 HydrophobicContact CD-CE3 4.29Å; K230-W234 HydrophobicContact CD-CH2 4.03Å; K230-W234 HydrophobicContact CD-CZ3 3.66Å; K230-W234 HydrophobicContact CG-CD2 4.25Å; K230-W234 HydrophobicContact CG-CE3 3.71Å; K230-W234 HydrophobicContact CG-CH2 3.95Å; K230-W234 HydrophobicContact CG-CZ2 4.45Å; K230-W234 HydrophobicContact CG-CZ3 3.54Å; K230-L235 HydrophobicContact CB-CD2 4.41Å
231S90Very high90.3Very high30 Ų3052 Ų5221%0.2125%0.252CS..  trans-65171.8174.380.80000111.7E164 R229 L233 W234 L235E164-S231 WeakPolarHBondContact OE1-CB 3.5Å; E164-S231 PolarHBondContact OE1-OG 2.9Å; E164-S231 VanDerWaalsContact OE2-CB 3.29Å; E164-S231 WeakPolarHBondContact OE2-CB 3.35Å; E164-S231 PolarHBondContact OE2-OG 3.45Å; E164-S231 VanDerWaalsContact OE2-OG 3.09Å; R229-S231 PolarHBondContact O-N 3.37Å; S231-L233 PolarHBondContact O-N 2.88Å; S231-W234 WeakPolarHBondContact O-CB 3.31Å; S231-W234 PolarHBondContact O-N 3.3Å; S231-W234 PolarHBondContact OG-N 2.93Å; S231-L235 WeakPolarHBondContact O-CG 3.19Å; S231-L235 PolarHBondContact O-N 3.11Å
232T92.9Very high90.2Very high50 Ų5055.8 Ų55.831%0.30728%0.275SS..Hα-helixtrans-64.5-42-178.2-54.40000111.2E164 C172 V176 W234 L235 F236E164-T232 WeakPolarHBondContact OE1-CA 3.38Å; E164-T232 PolarHBondContact OE1-N 2.92Å; C172-T232 HydrophobicContact CB-CG2 3.73Å; V176-T232 HydrophobicContact CG2-CG2 3.55Å; T232-W234 VanDerWaalsContact C-N 3.33Å; T232-L235 PolarHBondContact O-N 3.46Å; T232-F236 WeakPolarHBondContact O-CB 3.3Å; T232-F236 PolarHBondContact O-N 3.44Å
233L94.5Very high90.2Very high1 Ų153.3 Ų53.31%0.00526%0.264CS..Hα-helixtrans-69.2-31.3175.2-67.2176.7000112.2V157 P158 E164 P219 L220 A223 L225 S231 F236 A237V157-L233 HydrophobicContact CG1-CD1 4.32Å; P158-L233 HydrophobicContact CG-CD1 3.69Å; E164-L233 HydrophobicContact CG-CD1 4.48Å; E164-L233 PolarHBondContact OE1-N 2.99Å; P219-L233 HydrophobicContact CG-CD2 4.22Å; L220-L233 WeakPolarHBondContact CD2-O 3.47Å; A223-L233 HydrophobicContact CB-CB 4.31Å; A223-L233 HydrophobicContact CB-CD1 3.77Å; L225-L233 HydrophobicContact CD2-CB 4.14Å; S231-L233 PolarHBondContact O-N 2.88Å; L233-F236 PolarHBondContact O-N 2.74Å; L233-A237 PolarHBondContact O-N 3.34Å
234W94.6Very high90.2Very high29 Ų2953.2 Ų53.211%0.1126%0.263CS..Hα-helixtrans-64.2-45.6170.2-174.297.3000111.6L225 K230 S231 T232 F236 A237 V238 I287L225-W234 HydrophobicContact CD2-CB 4.41Å; K230-W234 HydrophobicContact CB-CD2 4.32Å; K230-W234 HydrophobicContact CB-CE3 3.67Å; K230-W234 HydrophobicContact CB-CZ3 3.93Å; K230-W234 HydrophobicContact CD-CE3 4.29Å; K230-W234 HydrophobicContact CD-CH2 4.03Å; K230-W234 HydrophobicContact CD-CZ3 3.66Å; K230-W234 HydrophobicContact CG-CD2 4.25Å; K230-W234 HydrophobicContact CG-CE3 3.71Å; K230-W234 HydrophobicContact CG-CH2 3.95Å; K230-W234 HydrophobicContact CG-CZ2 4.45Å; K230-W234 HydrophobicContact CG-CZ3 3.54Å; S231-W234 WeakPolarHBondContact O-CB 3.31Å; S231-W234 PolarHBondContact O-N 3.3Å; S231-W234 PolarHBondContact OG-N 2.93Å; T232-W234 VanDerWaalsContact C-N 3.33Å; W234-F236 VanDerWaalsContact C-N 3.32Å; W234-F236 PolarHBondContact O-N 3.08Å; W234-A237 WeakPolarHBondContact O-CB 3.21Å; W234-A237 PolarHBondContact O-N 3.38Å; W234-V238 HydrophobicContact CD2-CG2 4.05Å; W234-V238 HydrophobicContact CE3-CG2 3.71Å; W234-V238 HydrophobicContact CH2-CG2 3.45Å; W234-V238 VanDerWaalsContact CH2-CG2 3.45Å; W234-V238 HydrophobicContact CZ2-CG2 3.8Å; W234-V238 HydrophobicContact CZ3-CB 4.41Å; W234-V238 HydrophobicContact CZ3-CG2 3.4Å; W234-V238 WeakPolarHBondContact O-CG2 3.32Å; W234-V238 PolarHBondContact O-N 2.98Å; W234-I287 HydrophobicContact CZ2-CG1 4.42Å
235L94.3Very high90.2Very high86 Ų8650.1 Ų50.145%0.4525%0.253SS..Hα-helixtrans-63.3-39.8175.9-69.5170.3000111.3K230 S231 T232 A237 V238 E239K230-L235 HydrophobicContact CB-CD2 4.41Å; S231-L235 WeakPolarHBondContact O-CG 3.19Å; S231-L235 PolarHBondContact O-N 3.11Å; T232-L235 PolarHBondContact O-N 3.46Å; L235-A237 VanDerWaalsContact C-N 3.34Å; L235-A237 PolarHBondContact O-N 2.92Å; L235-V238 PolarHBondContact O-N 3.26Å; L235-E239 WeakPolarHBondContact O-CG 3.49Å; L235-E239 PolarHBondContact O-N 3.41Å
236F96.1Very high90.3Very high4 Ų450.8 Ų50.82%0.01826%0.26CS..Hα-helixtrans-59.2-44.6172.7-177.6-116.5000111.5C175 V179 P219 L220 T232 L233 W234 V238 E239 I240C175-F236 HydrophobicContact CB-CB 4.32Å; C175-F236 HydrophobicContact CB-CD1 4.14Å; C175-F236 HydrophobicContact CB-CD2 3.68Å; C175-F236 HydrophobicContact CB-CE1 4.41Å; C175-F236 HydrophobicContact CB-CE2 3.96Å; C175-F236 HydrophobicContact CB-CG 3.79Å; C175-F236 HydrophobicContact CB-CZ 4.33Å; V179-F236 HydrophobicContact CG2-CD2 3.45Å; V179-F236 VanDerWaalsContact CG2-CD2 3.45Å; V179-F236 HydrophobicContact CG2-CE2 3.52Å; P219-F236 HydrophobicContact CG-CE1 4.34Å; L220-F236 HydrophobicContact CD1-CD1 4.08Å; L220-F236 HydrophobicContact CD1-CE1 4.18Å; L220-F236 HydrophobicContact CD2-CD1 3.76Å; L220-F236 HydrophobicContact CD2-CE1 4.43Å; L220-F236 HydrophobicContact CG-CD1 3.88Å; L220-F236 HydrophobicContact CG-CE1 4.06Å; T232-F236 WeakPolarHBondContact O-CB 3.3Å; T232-F236 PolarHBondContact O-N 3.44Å; L233-F236 PolarHBondContact O-N 2.74Å; W234-F236 VanDerWaalsContact C-N 3.32Å; W234-F236 PolarHBondContact O-N 3.08Å; F236-V238 VanDerWaalsContact C-N 3.33Å; F236-V238 PolarHBondContact O-N 3.26Å; F236-E239 PolarHBondContact O-N 3.07Å; F236-I240 HydrophobicContact CE1-CG1 4.24Å; F236-I240 HydrophobicContact CE2-CD1 4.08Å; F236-I240 HydrophobicContact CE2-CG1 4.22Å; F236-I240 HydrophobicContact CZ-CD1 3.99Å; F236-I240 HydrophobicContact CZ-CG1 4.06Å; F236-I240 WeakPolarHBondContact O-CG1 3.34Å; F236-I240 PolarHBondContact O-N 2.96Å
237A96.6Very high90.7Very high0 Ų047.5 Ų47.50%024%0.242CC..Hα-helixtrans-59.1-43.1174.400000112.3L220 L225 L233 W234 L235 I240 M241 L281 I287L220-A237 HydrophobicContact CD1-CB 3.99Å; L220-A237 HydrophobicContact CD2-CB 3.75Å; L225-A237 HydrophobicContact CD1-CB 4.34Å; L233-A237 PolarHBondContact O-N 3.34Å; W234-A237 WeakPolarHBondContact O-CB 3.21Å; W234-A237 PolarHBondContact O-N 3.38Å; L235-A237 VanDerWaalsContact C-N 3.34Å; L235-A237 PolarHBondContact O-N 2.92Å; A237-I240 PolarHBondContact O-N 3.44Å; A237-M241 WeakPolarHBondContact O-CB 3.45Å; A237-M241 WeakPolarHBondContact O-CG 3.25Å; A237-M241 PolarHBondContact O-N 3.07Å; A237-L281 HydrophobicContact CB-CD1 4.12Å; A237-L281 HydrophobicContact CB-CD2 4.05Å; A237-I287 HydrophobicContact CB-CD1 4.19Å
238V95.6Very high91.2Very high33 Ų3348.7 Ų48.720%0.225%0.245CC..Hα-helixtrans-61.2-46.1175.8173.30000111.6W234 L235 F236 I240 M241 V242 I287W234-V238 HydrophobicContact CD2-CG2 4.05Å; W234-V238 HydrophobicContact CE3-CG2 3.71Å; W234-V238 HydrophobicContact CH2-CG2 3.45Å; W234-V238 VanDerWaalsContact CH2-CG2 3.45Å; W234-V238 HydrophobicContact CZ2-CG2 3.8Å; W234-V238 HydrophobicContact CZ3-CB 4.41Å; W234-V238 HydrophobicContact CZ3-CG2 3.4Å; W234-V238 WeakPolarHBondContact O-CG2 3.32Å; W234-V238 PolarHBondContact O-N 2.98Å; L235-V238 PolarHBondContact O-N 3.26Å; F236-V238 VanDerWaalsContact C-N 3.33Å; F236-V238 PolarHBondContact O-N 3.26Å; V238-I240 PolarHBondContact O-N 3.36Å; V238-M241 WeakPolarHBondContact O-CB 3.2Å; V238-M241 PolarHBondContact O-N 3.38Å; V238-V242 HydrophobicContact CG1-CG2 4.37Å; V238-V242 WeakPolarHBondContact O-CG2 3.4Å; V238-V242 PolarHBondContact O-N 3.12Å; V238-I287 HydrophobicContact CB-CG2 4.44Å; V238-I287 HydrophobicContact CG2-CD1 4.1Å; V238-I287 HydrophobicContact CG2-CG1 4.31Å; V238-I287 HydrophobicContact CG2-CG2 3.9Å
239E96.1Very high91.6Very high73 Ų7342.9 Ų42.934%0.34121%0.214SC..Hα-helixtrans-60.7-45.8178.4-69.3-72.1145.100110.9V179 R183 L235 F236 M241 V242 I243V179-E239 HydrophobicContact CG1-CB 3.8Å; V179-E239 HydrophobicContact CG1-CG 3.89Å; V179-E239 WeakPolarHBondContact CG1-OE2 3.45Å; V179-E239 HydrophobicContact CG2-CB 4Å; R183-E239 IonicContact NH2-OE2 3.73Å; L235-E239 WeakPolarHBondContact O-CG 3.49Å; L235-E239 PolarHBondContact O-N 3.41Å; F236-E239 PolarHBondContact O-N 3.07Å; E239-M241 VanDerWaalsContact C-N 3.31Å; E239-M241 PolarHBondContact O-N 3.22Å; E239-V242 PolarHBondContact O-N 3.15Å; E239-V242 VanDerWaalsContact O-N 3.08Å; E239-I243 VanDerWaalsContact O-CG1 3.23Å; E239-I243 WeakPolarHBondContact O-CG1 3.29Å; E239-I243 PolarHBondContact O-N 3.32Å
240I96.4Very high92.2Very high0 Ų038.8 Ų38.80%021%0.206CC..Hα-helixtrans-58.1-43.9174.8-63.4-60.2000111.3F211 C212 L216 L220 F236 A237 V238 V242 I243 L244F211-I240 HydrophobicContact CE1-CD1 3.78Å; F211-I240 HydrophobicContact CZ-CD1 4.25Å; C212-I240 HydrophobicContact CB-CG2 4.04Å; L216-I240 HydrophobicContact CD2-CG2 4.17Å; L216-I240 HydrophobicContact CG-CG2 4.01Å; L220-I240 HydrophobicContact CD1-CB 4.48Å; L220-I240 HydrophobicContact CD1-CG1 4.22Å; F236-I240 HydrophobicContact CE1-CG1 4.24Å; F236-I240 HydrophobicContact CE2-CD1 4.08Å; F236-I240 HydrophobicContact CE2-CG1 4.22Å; F236-I240 HydrophobicContact CZ-CD1 3.99Å; F236-I240 HydrophobicContact CZ-CG1 4.06Å; F236-I240 WeakPolarHBondContact O-CG1 3.34Å; F236-I240 PolarHBondContact O-N 2.96Å; A237-I240 PolarHBondContact O-N 3.44Å; V238-I240 PolarHBondContact O-N 3.36Å; I240-V242 VanDerWaalsContact C-N 3.26Å; I240-V242 PolarHBondContact O-N 3.4Å; I240-I243 HydrophobicContact CD1-CD1 4.3Å; I240-I243 PolarHBondContact O-N 3.1Å; I240-L244 PolarHBondContact O-N 3.42Å
241M94.8Very high92.4Very high0 Ų031.9 Ų31.90%018%0.177CC..Hα-helixtrans-64.5-28.5177.6-69.6-66.2-68.500113.3A237 V238 E239 P245 L251 L278 L281 L282 I287 A288A237-M241 WeakPolarHBondContact O-CB 3.45Å; A237-M241 WeakPolarHBondContact O-CG 3.25Å; A237-M241 PolarHBondContact O-N 3.07Å; V238-M241 WeakPolarHBondContact O-CB 3.2Å; V238-M241 PolarHBondContact O-N 3.38Å; E239-M241 VanDerWaalsContact C-N 3.31Å; E239-M241 PolarHBondContact O-N 3.22Å; M241-P245 WeakPolarHBondContact O-CD 3.24Å; M241-L251 HydrophobicContact CE-CD1 4.1Å; M241-L251 HydrophobicContact CE-CD2 4.21Å; M241-L278 HydrophobicContact CE-CD1 3.76Å; M241-L278 HydrophobicContact SD-CD1 3.18Å; M241-L278 WeakPolarHBondContact SD-CD1 3.28Å; M241-L281 HydrophobicContact CG-CD1 4.24Å; M241-L281 HydrophobicContact SD-CB 4.25Å; M241-L281 HydrophobicContact SD-CD1 4.2Å; M241-L282 HydrophobicContact CE-CB 4.32Å; M241-L282 HydrophobicContact CE-CD1 4.3Å; M241-I287 HydrophobicContact CB-CG2 3.69Å; M241-I287 HydrophobicContact CG-CB 4.37Å; M241-I287 HydrophobicContact CG-CG2 3.62Å; M241-A288 HydrophobicContact CB-CB 4.24Å; M241-A288 HydrophobicContact CE-CB 4.07Å
242V93.9Very high92.3Very high79 Ų7931.5 Ų31.548%0.47917%0.173SC..Hα-helixtrans-79.7-32.6175.4169.20000111.9V238 E239 I240 P245 A246V238-V242 HydrophobicContact CG1-CG2 4.37Å; V238-V242 WeakPolarHBondContact O-CG2 3.4Å; V238-V242 PolarHBondContact O-N 3.12Å; E239-V242 PolarHBondContact O-N 3.15Å; E239-V242 VanDerWaalsContact O-N 3.08Å; I240-V242 VanDerWaalsContact C-N 3.26Å; I240-V242 PolarHBondContact O-N 3.4Å; V242-P245 VanDerWaalsContact O-CD 3.31Å; V242-P245 WeakPolarHBondContact O-CD 3.3Å; V242-P245 WeakPolarHBondContact O-CG 3.35Å; V242-A246 WeakPolarHBondContact O-CB 3.35Å; V242-A246 PolarHBondContact O-N 3.43Å
243I94.1Very high92Very high6 Ų629.4 Ų29.43%0.03116%0.162CC..Hα-helixtrans-64.9-40.7179.3-67.9165.7000111.3I186 I208 C212 E239 I240 A246 I247I186-I243 HydrophobicContact CD1-CB 4.4Å; I186-I243 HydrophobicContact CD1-CD1 3.74Å; I186-I243 HydrophobicContact CD1-CG1 3.62Å; I186-I243 HydrophobicContact CD1-CG2 3.89Å; I186-I243 HydrophobicContact CG1-CG2 4.09Å; I208-I243 HydrophobicContact CG2-CG2 3.66Å; C212-I243 VanDerWaalsContact SG-CG2 3.53Å; E239-I243 VanDerWaalsContact O-CG1 3.23Å; E239-I243 WeakPolarHBondContact O-CG1 3.29Å; E239-I243 PolarHBondContact O-N 3.32Å; I240-I243 HydrophobicContact CD1-CD1 4.3Å; I240-I243 PolarHBondContact O-N 3.1Å; I243-A246 WeakPolarHBondContact O-CA 3.39Å; I243-A246 WeakPolarHBondContact O-CB 3.25Å; I243-A246 PolarHBondContact O-N 3.04Å; I243-A246 VanDerWaalsContact O-N 3.09Å; I243-I247 HydrophobicContact CG2-CG2 4.39Å; I243-I247 PolarHBondContact O-N 3.37Å
244L92.3Very high91.6Very high0 Ų029.3 Ų29.30%016%0.162CC..Hα-helixtrans-53.6-57.5-178.9-66.8172.8000113.4L209 C212 I240 A246 I247 E249 L251 L254 L278L209-L244 HydrophobicContact CD1-CD2 3.7Å; C212-L244 HydrophobicContact CB-CD2 3.77Å; C212-L244 HydrophobicContact CB-CG 4.47Å; I240-L244 PolarHBondContact O-N 3.42Å; L244-A246 VanDerWaalsContact C-N 3.26Å; L244-A246 PolarHBondContact O-N 3.4Å; L244-I247 WeakPolarHBondContact O-CG1 3.36Å; L244-I247 PolarHBondContact O-N 2.98Å; L244-E249 WeakPolarHBondContact O-CA 3.27Å; L244-E249 WeakPolarHBondContact O-CB 3.49Å; L244-E249 PolarHBondContact O-N 2.83Å; L244-L251 HydrophobicContact CB-CD2 4.19Å; L244-L251 HydrophobicContact CD1-CD2 3.67Å; L244-L254 HydrophobicContact CD1-CD1 4.18Å; L244-L254 HydrophobicContact CD2-CD1 4.01Å; L244-L278 HydrophobicContact CD1-CD1 3.89Å; L244-L278 HydrophobicContact CD1-CD2 4.45Å
245P90Very high91.3Very high53 Ų5328.2 Ų28.234%0.34416%0.158SC..Hα-helixtrans-65.5-30.117626.1-34000112.5M241 V242 I247 K248M241-P245 WeakPolarHBondContact O-CD 3.24Å; V242-P245 VanDerWaalsContact O-CD 3.31Å; V242-P245 WeakPolarHBondContact O-CD 3.3Å; V242-P245 WeakPolarHBondContact O-CG 3.35Å; P245-I247 VanDerWaalsContact C-N 3.29Å; P245-I247 PolarHBondContact O-N 3.25Å; P245-K248 WeakPolarHBondContact O-CA 3.41Å; P245-K248 PolarHBondContact O-N 3.17Å
246A90.3Very high90.6Very high21 Ų2125.6 Ų25.617%0.17414%0.143CC..Hα-helixtrans-63.2-32.7177.300000113.3I186 K190 V242 I243 L244 K248I186-A246 HydrophobicContact CG2-CB 3.96Å; K190-A246 VanDerWaalsContact CE-CB 3.43Å; V242-A246 WeakPolarHBondContact O-CB 3.35Å; V242-A246 PolarHBondContact O-N 3.43Å; I243-A246 WeakPolarHBondContact O-CA 3.39Å; I243-A246 WeakPolarHBondContact O-CB 3.25Å; I243-A246 PolarHBondContact O-N 3.04Å; I243-A246 VanDerWaalsContact O-N 3.09Å; L244-A246 VanDerWaalsContact C-N 3.26Å; L244-A246 PolarHBondContact O-N 3.4Å; A246-K248 PolarHBondContact O-N 3.11Å
247I89.3Confident89.3Confident0 Ų030.5 Ų30.50%016%0.164CC..THydrogen-bonded Turntrans-87.718.2171.964.9168.2000112.7K205 I208 L209 I243 L244 P245 E249K205-I247 WeakPolarHBondContact CD-O 3.32Å; K205-I247 WeakPolarHBondContact CE-O 3.46Å; K205-I247 HydrophobicContact CG-CB 4.24Å; K205-I247 HydrophobicContact CG-CD1 4.36Å; K205-I247 PolarHBondContact NZ-O 3.46Å; K205-I247 VanDerWaalsContact NZ-O 3.09Å; I208-I247 HydrophobicContact CB-CG2 4.41Å; I208-I247 HydrophobicContact CD1-CG2 4.38Å; I208-I247 HydrophobicContact CG2-CD1 4.26Å; I208-I247 HydrophobicContact CG2-CG2 3.89Å; L209-I247 HydrophobicContact CB-CD1 3.86Å; I243-I247 HydrophobicContact CG2-CG2 4.39Å; I243-I247 PolarHBondContact O-N 3.37Å; L244-I247 WeakPolarHBondContact O-CG1 3.36Å; L244-I247 PolarHBondContact O-N 2.98Å; P245-I247 VanDerWaalsContact C-N 3.29Å; P245-I247 PolarHBondContact O-N 3.25Å; I247-E249 HydrophobicContact CD1-CB 4.38Å; I247-E249 HydrophobicContact CD1-CG 3.82Å; I247-E249 HydrophobicContact CG1-CB 4.09Å; I247-E249 HydrophobicContact CG1-CG 3.89Å; I247-E249 PolarHBondContact O-N 3.09Å
248K86.3Confident87.6Confident121 Ų12131.8 Ų31.853%0.52617%0.173SC..THydrogen-bonded Turntrans58.929.3-177.3-53.5174.2-177.7169.70112.6K205 P245 A246K205-K248 PolarHBondContact NZ-O 3.05Å; P245-K248 WeakPolarHBondContact O-CA 3.41Å; P245-K248 PolarHBondContact O-N 3.17Å; A246-K248 PolarHBondContact O-N 3.11Å
249E87.1Confident85.4Confident24 Ų2435.3 Ų35.311%0.11220%0.199CC..  trans-90130.6170.4-77.1-57.1139.800111.4K205 L209 L244 I247 L254 R261K205-E249 WeakPolarHBondContact CE-OE1 3.5Å; K205-E249 IonicContact NZ-OE1 2.84Å; K205-E249 PolarHBondContact NZ-OE1 2.91Å; L209-E249 HydrophobicContact CD1-CG 4.23Å; L209-E249 HydrophobicContact CD2-CG 4.15Å; L244-E249 WeakPolarHBondContact O-CA 3.27Å; L244-E249 WeakPolarHBondContact O-CB 3.49Å; L244-E249 PolarHBondContact O-N 2.83Å; I247-E249 HydrophobicContact CD1-CB 4.38Å; I247-E249 HydrophobicContact CD1-CG 3.82Å; I247-E249 HydrophobicContact CG1-CB 4.09Å; I247-E249 HydrophobicContact CG1-CG 3.89Å; I247-E249 PolarHBondContact O-N 3.09Å; E249-L254 HydrophobicContact CB-CD1 4.42Å; E249-R261 IonicContact OE2-CZ 3.8Å; E249-R261 IonicContact OE2-NH1 3.57Å; E249-R261 PolarHBondContact OE2-NH1 3.04Å; E249-R261 IonicContact OE2-NH2 3.56Å
250S87.2Confident82.9Confident54 Ų5438.5 Ų38.538%0.37822%0.218SC..  trans-87119.9-177.2174.40000110.1P252 G253 L254S250-P252 WeakPolarHBondContact OG-CD 3.5Å; S250-G253 CarbonylContact O-C 3.44Å; S250-G253 WeakPolarHBondContact O-CA 3.41Å; S250-G253 PolarHBondContact O-N 3.07Å; S250-G253 PolarHBondContact OG-N 2.99Å; S250-L254 PolarHBondContact O-N 3.45Å
251L88.7Confident80.8Confident6 Ų642.9 Ų42.93%0.03123%0.234CC..Hα-helixtrans-55.3-47.4173.6-65.6178.4000112.3M241 L244 G253 L254 L255 L278 L282 A288 F292M241-L251 HydrophobicContact CE-CD1 4.1Å; M241-L251 HydrophobicContact CE-CD2 4.21Å; L244-L251 HydrophobicContact CB-CD2 4.19Å; L244-L251 HydrophobicContact CD1-CD2 3.67Å; L251-G253 VanDerWaalsContact C-N 3.29Å; L251-G253 PolarHBondContact O-N 3.45Å; L251-L254 PolarHBondContact O-N 2.92Å; L251-L255 WeakPolarHBondContact O-CB 3.46Å; L251-L255 WeakPolarHBondContact O-CG 3.5Å; L251-L255 PolarHBondContact O-N 2.75Å; L251-L278 HydrophobicContact CD2-CD1 3.99Å; L251-L278 HydrophobicContact CD2-CD2 4.35Å; L251-L282 HydrophobicContact CD1-CD1 4.43Å; L251-A288 HydrophobicContact CD1-CB 4.36Å; L251-F292 HydrophobicContact CB-CD2 4.03Å; L251-F292 HydrophobicContact CB-CE2 4.36Å
252P87.9Confident78.3Confident21 Ų2152 Ų5214%0.13627%0.274CS..Hα-helixtrans-57.6-39.6170.3-2430.2000113.5S250 L254 L255 F256 F292 P293S250-P252 WeakPolarHBondContact OG-CD 3.5Å; P252-L254 VanDerWaalsContact C-N 3.31Å; P252-L254 PolarHBondContact O-N 2.62Å; P252-L255 PolarHBondContact O-N 3.24Å; P252-F256 HydrophobicContact CB-CD2 4.27Å; P252-F256 WeakPolarHBondContact O-CB 3.29Å; P252-F256 PolarHBondContact O-N 3.3Å; P252-F292 HydrophobicContact CB-CE2 4.17Å; P252-F292 HydrophobicContact CG-CD2 3.97Å; P252-F292 HydrophobicContact CG-CE2 3.59Å; P252-F292 HydrophobicContact CG-CZ 4.16Å; P252-P293 HydrophobicContact CG-CG 3.64Å
253G85.5Confident76.2Confident6 Ų650.7 Ų50.76%0.06226%0.262CS..Hα-helixtrans-58.6-42.2176.800000112.7S250 L251 F257 S258S250-G253 CarbonylContact O-C 3.44Å; S250-G253 WeakPolarHBondContact O-CA 3.41Å; S250-G253 PolarHBondContact O-N 3.07Å; S250-G253 PolarHBondContact OG-N 2.99Å; L251-G253 VanDerWaalsContact C-N 3.29Å; L251-G253 PolarHBondContact O-N 3.45Å; G253-F257 CarbonylContact O-C 3.39Å; G253-F257 PolarHBondContact O-N 3Å; G253-S258 PolarHBondContact O-N 3.23Å
254L87.1Confident73.9Confident0 Ų056.5 Ų56.50%030%0.298CS..Hα-helixtrans-74.6-34.5178.4-66.9172.6000112.9L209 L244 E249 S250 L251 P252 S258 F263 L278L209-L254 HydrophobicContact CD1-CD1 4.4Å; L209-L254 HydrophobicContact CD1-CD2 4.35Å; L244-L254 HydrophobicContact CD1-CD1 4.18Å; L244-L254 HydrophobicContact CD2-CD1 4.01Å; E249-L254 HydrophobicContact CB-CD1 4.42Å; S250-L254 PolarHBondContact O-N 3.45Å; L251-L254 PolarHBondContact O-N 2.92Å; P252-L254 VanDerWaalsContact C-N 3.31Å; P252-L254 PolarHBondContact O-N 2.62Å; L254-S258 WeakPolarHBondContact O-CB 3.21Å; L254-F263 HydrophobicContact CD2-CZ 4.16Å; L254-L278 HydrophobicContact CB-CD2 3.86Å; L254-L278 HydrophobicContact CD1-CD2 4.11Å
255L87.2Confident71.8Confident5 Ų561.5 Ų61.53%0.02633%0.329CS..Hα-helixtrans-88.6-37-174.7-71.3176.4000114.2L251 P252 T275 L278 A279 L282 F283 F292 H308L251-L255 WeakPolarHBondContact O-CB 3.46Å; L251-L255 WeakPolarHBondContact O-CG 3.5Å; L251-L255 PolarHBondContact O-N 2.75Å; P252-L255 PolarHBondContact O-N 3.24Å; L255-T275 WeakPolarHBondContact CD2-O 3.36Å; L255-L278 HydrophobicContact CD1-CG 4.4Å; L255-L278 HydrophobicContact CD2-CB 3.97Å; L255-L278 HydrophobicContact CD2-CD2 3.83Å; L255-L278 HydrophobicContact CD2-CG 3.79Å; L255-L278 HydrophobicContact CG-CD2 3.94Å; L255-L278 HydrophobicContact CG-CG 4.15Å; L255-A279 HydrophobicContact CD2-CB 3.87Å; L255-L282 HydrophobicContact CD1-CD2 3.4Å; L255-L282 VanDerWaalsContact CD1-CD2 3.4Å; L255-F283 HydrophobicContact CD1-CE2 4.06Å; L255-F292 HydrophobicContact CD1-CE2 4.26Å; L255-H308 PolarHBondContact O-NE2 2.75Å; L255-H308 VanDerWaalsContact O-NE2 3.12Å
256F81.1Confident70.1Confident32 Ų3260.2 Ų60.214%0.1432%0.318CS..Hα-helixtrans-111.3-21.5-169.2-56.9-20.9000113.6P252 F283 F292 F300 C304P252-F256 HydrophobicContact CB-CD2 4.27Å; P252-F256 WeakPolarHBondContact O-CB 3.29Å; P252-F256 PolarHBondContact O-N 3.3Å; F256-F283 HydrophobicContact CE1-CE2 4.43Å; F256-F283 HydrophobicContact CE1-CZ 4.26Å; F256-F283 AromaticContact CZ-CZ 4Å; F256-F283 HydrophobicContact CZ-CZ 4Å; F256-F292 HydrophobicContact CD2-CZ 4.48Å; F256-F292 HydrophobicContact CE1-CZ 4.46Å; F256-F292 HydrophobicContact CE2-CE1 4.2Å; F256-F292 AromaticContact CE2-CZ 3.52Å; F256-F292 HydrophobicContact CE2-CZ 3.52Å; F256-F292 HydrophobicContact CZ-CE1 4.18Å; F256-F292 AromaticContact CZ-CZ 3.53Å; F256-F292 HydrophobicContact CZ-CZ 3.53Å; F256-F300 AromaticContact CD2-CE1 4Å; F256-F300 HydrophobicContact CD2-CE1 4Å; F256-F300 HydrophobicContact CD2-CZ 4.37Å; F256-F300 AromaticContact CE2-CE1 3.79Å; F256-F300 HydrophobicContact CE2-CE1 3.79Å; F256-F300 HydrophobicContact CZ-CE1 4.34Å; F256-C304 HydrophobicContact CD1-CB 3.32Å; F256-C304 VanDerWaalsContact CD1-SG 3.55Å; F256-C304 HydrophobicContact CE1-CB 3.29Å; F256-C304 HydrophobicContact CG-CB 4.23Å; F256-C304 HydrophobicContact CZ-CB 4.17Å
257F68.6Low68.6Low107 Ų10764.5 Ų64.547%0.46934%0.338SS..SBendtrans-124.318.2-174.1-55.8-75.8000112.7G253 S259 L260G253-F257 CarbonylContact O-C 3.39Å; G253-F257 PolarHBondContact O-N 3Å; F257-S259 VanDerWaalsContact C-N 3.25Å; F257-S259 PolarHBondContact O-N 3.05Å; F257-L260 HydrophobicContact CB-CD1 4.41Å; F257-L260 HydrophobicContact CD1-CD1 4.07Å; F257-L260 WeakPolarHBondContact O-CB 3.34Å; F257-L260 PolarHBondContact O-N 3.36Å; F257-L260 VanDerWaalsContact O-N 3.1Å
258S59.5Low67.3Low27 Ų2769 Ų6919%0.18937%0.366CS..G310 helixtrans-60.9-33.5179.454.30000112.7G253 L254 L260 R261G253-S258 PolarHBondContact O-N 3.23Å; L254-S258 WeakPolarHBondContact O-CB 3.21Å; S258-L260 PolarHBondContact O-N 3.49Å; S258-R261 PolarHBondContact O-N 3.26Å
259S49.7Very low66Low106 Ų10666.8 Ų66.874%0.74136%0.36SS*.G310 helixtrans-62.9-21.9176.155.80000114F257F257-S259 VanDerWaalsContact C-N 3.25Å; F257-S259 PolarHBondContact O-N 3.05Å
260L44.2Very low64.9Low141 Ų14167 Ų6774%0.73836%0.362SS*.G310 helixtrans-89.3-11.9174.8-73.5153.7000112.8F257 S258F257-L260 HydrophobicContact CB-CD1 4.41Å; F257-L260 HydrophobicContact CD1-CD1 4.07Å; F257-L260 WeakPolarHBondContact O-CB 3.34Å; F257-L260 PolarHBondContact O-N 3.36Å; F257-L260 VanDerWaalsContact O-N 3.1Å; S258-L260 PolarHBondContact O-N 3.49Å
261R52.3Low64.5Low92 Ų9265.1 Ų65.135%0.34735%0.348SS..  trans-98.8114.4-178.6-70.3-177.3175.6-163.6-4.9110.2E249 S258 F263E249-R261 IonicContact OE2-CZ 3.8Å; E249-R261 IonicContact OE2-NH1 3.57Å; E249-R261 PolarHBondContact OE2-NH1 3.04Å; E249-R261 IonicContact OE2-NH2 3.56Å; S258-R261 PolarHBondContact O-N 3.26Å; R261-F263 HydrophobicContact CB-CE2 4.4Å; R261-F263 PolarHBondContact O-N 3.37Å; R261-F263 VanDerWaalsContact O-N 3.1Å
262K42.9Very low64.4Low192 Ų19269.4 Ų69.484%0.83537%0.367SS*.  trans-72.898.7165.4-71-177.6178.9179.70108.1T264K262-T264 VanDerWaalsContact C-N 3.26Å; K262-T264 HydrophobicContact CB-CG2 4.38Å; K262-T264 PolarHBondContact O-N 3.15Å
263F49.9Very low64.7Low50 Ų5069.1 Ų69.122%0.21936%0.364CS..  trans-68.693.1160.2-67.5-84.1000106.7L209 L254 R261 T265 M266 S271L209-F263 HydrophobicContact CD2-CE1 4.12Å; L254-F263 HydrophobicContact CD2-CZ 4.16Å; R261-F263 HydrophobicContact CB-CE2 4.4Å; R261-F263 PolarHBondContact O-N 3.37Å; R261-F263 VanDerWaalsContact O-N 3.1Å; F263-T265 PolarHBondContact O-N 2.87Å; F263-M266 HydrophobicContact CB-CB 4.03Å; F263-M266 HydrophobicContact CB-CG 4.48Å; F263-S271 WeakPolarHBondContact CE2-OG 3.06Å
264T44.4Very low65.1Low128 Ų12868.9 Ų68.979%0.78536%0.361SS*.THydrogen-bonded Turntrans-63-10-171.632.60000114K262K262-T264 VanDerWaalsContact C-N 3.26Å; K262-T264 HydrophobicContact CB-CG2 4.38Å; K262-T264 PolarHBondContact O-N 3.15Å
265T48.6Very low65.4Low106 Ų10669 Ų6965%0.6536%0.362SS*.THydrogen-bonded Turntrans-1372.8-172.251.50000115.1F263F263-T265 PolarHBondContact O-N 2.87Å
266M54.8Low65.8Low26 Ų2668.8 Ų68.813%0.12836%0.361CS..SBendtrans-107.9142.2179.3-68.4-151.3141.700112.9K210 M213 F263 T268 L270K210-M266 HydrophobicContact CB-CE 3.43Å; K210-M266 VanDerWaalsContact CB-CE 3.43Å; K210-M266 HydrophobicContact CD-CE 3.79Å; K210-M266 HydrophobicContact CG-CE 3.27Å; M213-M266 HydrophobicContact CB-CE 4.17Å; M213-M266 HydrophobicContact CB-SD 4.13Å; M213-M266 HydrophobicContact CG-SD 4.43Å; F263-M266 HydrophobicContact CB-CB 4.03Å; F263-M266 HydrophobicContact CB-CG 4.48Å; M266-T268 PolarHBondContact O-N 3.1Å; M266-L270 HydrophobicContact CE-CD2 3.98Å; M266-L270 HydrophobicContact SD-CD2 4.06Å
267D57.9Low66.5Low111 Ų11167.3 Ų67.359%0.59435%0.354SS*.  trans-58.6136167.8-168.1-8.3000109.9D269 L270 S271D267-D269 PolarHBondContact O-N 2.89Å; D267-L270 HydrophobicContact CB-CB 3.99Å; D267-L270 WeakPolarHBondContact O-CB 3.39Å; D267-L270 PolarHBondContact O-N 3.15Å; D267-S271 PolarHBondContact O-N 3.39Å
268T61.7Low67.8Low93 Ų9362.2 Ų62.257%0.57133%0.332SS*.Hα-helixtrans-63.7-33.9-173.6-58.20000111.3M266 K272M266-T268 PolarHBondContact O-N 3.1Å; T268-K272 WeakPolarHBondContact O-CG 3.31Å; T268-K272 PolarHBondContact O-N 2.92Å
269D60.6Low69.6Low76 Ų7660.9 Ų60.941%0.40632%0.323SS..Hα-helixtrans-74.5-35.1177.7-77.7-6.3000112.4D267 S271 K272 E273D267-D269 PolarHBondContact O-N 2.89Å; D269-S271 VanDerWaalsContact C-N 3.28Å; D269-S271 PolarHBondContact O-N 2.82Å; D269-K272 PolarHBondContact O-N 2.9Å; D269-E273 PolarHBondContact O-N 2.72Å
270L62.3Low71.9Confident29 Ų2956.7 Ų56.715%0.15229%0.291CS..Hα-helixtrans-59.3-42.6174.3-175.378000110.8L214 K217 M266 D267 S274L214-L270 HydrophobicContact CD2-CD1 3.91Å; L214-L270 HydrophobicContact CD2-CD2 3.84Å; L214-L270 HydrophobicContact CD2-CG 4.4Å; K217-L270 HydrophobicContact CD-CD1 3.32Å; K217-L270 HydrophobicContact CD-CG 4.45Å; M266-L270 HydrophobicContact CE-CD2 3.98Å; M266-L270 HydrophobicContact SD-CD2 4.06Å; D267-L270 HydrophobicContact CB-CB 3.99Å; D267-L270 WeakPolarHBondContact O-CB 3.39Å; D267-L270 PolarHBondContact O-N 3.15Å; L270-S274 WeakPolarHBondContact O-CB 3.36Å; L270-S274 PolarHBondContact O-N 3.03Å; L270-S274 PolarHBondContact O-OG 3.15Å
271S78.9Confident74.4Confident13 Ų1350 Ų509%0.09126%0.255CS..Hα-helixtrans-63.6-45.6179.2-173.20000112F263 D267 D269 E273 S274 T275F263-S271 WeakPolarHBondContact CE2-OG 3.06Å; D267-S271 PolarHBondContact O-N 3.39Å; D269-S271 VanDerWaalsContact C-N 3.28Å; D269-S271 PolarHBondContact O-N 2.82Å; S271-E273 PolarHBondContact O-N 2.68Å; S271-S274 PolarHBondContact O-N 3.44Å; S271-T275 WeakPolarHBondContact O-CG2 3.36Å; S271-T275 PolarHBondContact O-N 3.35Å; S271-T275 PolarHBondContact O-OG1 2.96Å
272K88.3Confident76.4Confident97 Ų9745.6 Ų45.642%0.42224%0.239SC..Hα-helixtrans-65.2-41.6-176.8-69.5175-178.9176.10113.8T268 D269 T275 A276 Q311T268-K272 WeakPolarHBondContact O-CG 3.31Å; T268-K272 PolarHBondContact O-N 2.92Å; D269-K272 PolarHBondContact O-N 2.9Å; K272-T275 WeakPolarHBondContact CA-OG1 3.31Å; K272-T275 PolarHBondContact O-OG1 3.31Å; K272-A276 WeakPolarHBondContact O-CB 3.44Å; K272-A276 PolarHBondContact O-N 3.36Å; K272-Q311 HydrophobicContact CB-CG 4.1Å
273E92.4Very high78.9Confident15 Ų1537.6 Ų37.67%0.0720%0.204CC..Hα-helixtrans-66.8-41.4178.3-70.7178.6154.400111.5K217 L221 D269 S271 A276 C277 Q311 R315K217-E273 WeakPolarHBondContact CE-OE2 3.47Å; K217-E273 HydrophobicContact CG-CB 4.37Å; K217-E273 IonicContact NZ-OE2 3.87Å; K217-E273 PolarHBondContact NZ-OE2 2.99Å; L221-E273 HydrophobicContact CD2-CB 3.97Å; D269-E273 PolarHBondContact O-N 2.72Å; S271-E273 PolarHBondContact O-N 2.68Å; E273-A276 PolarHBondContact O-N 3.49Å; E273-C277 PolarHBondContact O-N 2.87Å; E273-Q311 HydrophobicContact CG-CG 4.39Å; E273-R315 IonicContact OE1-CZ 3.15Å; E273-R315 IonicContact OE1-NE 2.68Å; E273-R315 PolarHBondContact OE1-NE 3.36Å; E273-R315 IonicContact OE1-NH2 3.86Å; E273-R315 PolarHBondContact OE1-NH2 3.45Å
274S94Very high81.1Confident0 Ų036 Ų360%020%0.198CC..Hα-helixtrans-63.5-45.7177.3-53.20000111.6M213 L270 S271 A276 C277 L278M213-S274 WeakPolarHBondContact O-CB 3.48Å; M213-S274 PolarHBondContact O-OG 3.06Å; L270-S274 WeakPolarHBondContact O-CB 3.36Å; L270-S274 PolarHBondContact O-N 3.03Å; L270-S274 PolarHBondContact O-OG 3.15Å; S271-S274 PolarHBondContact O-N 3.44Å; S274-A276 VanDerWaalsContact C-N 3.31Å; S274-A276 PolarHBondContact O-N 2.74Å; S274-C277 PolarHBondContact O-N 3.04Å; S274-L278 WeakPolarHBondContact O-CB 3.44Å; S274-L278 PolarHBondContact O-N 3.22Å
275T93.5Very high83.5Confident4 Ų430.6 Ų30.63%0.02516%0.164CC..Hα-helixtrans-67.3-32.2176.254.40000112.4M213 L255 S271 K272 L278 A279 H308M213-T275 HydrophobicContact CE-CG2 3.69Å; L255-T275 WeakPolarHBondContact CD2-O 3.36Å; S271-T275 WeakPolarHBondContact O-CG2 3.36Å; S271-T275 PolarHBondContact O-N 3.35Å; S271-T275 PolarHBondContact O-OG1 2.96Å; K272-T275 WeakPolarHBondContact CA-OG1 3.31Å; K272-T275 PolarHBondContact O-OG1 3.31Å; T275-L278 WeakPolarHBondContact O-CB 3.35Å; T275-L278 PolarHBondContact O-N 2.79Å; T275-A279 PolarHBondContact O-N 3.32Å; T275-H308 PolarHBondContact OG1-CE1 2.99Å
276A95.8Very high85.6Confident0 Ų029.9 Ų29.90%016%0.156CC..Hα-helixtrans-69.7-38.317500000112.1K272 E273 S274 L278 A279 Y280 H308 L312K272-A276 WeakPolarHBondContact O-CB 3.44Å; K272-A276 PolarHBondContact O-N 3.36Å; E273-A276 PolarHBondContact O-N 3.49Å; S274-A276 VanDerWaalsContact C-N 3.31Å; S274-A276 PolarHBondContact O-N 2.74Å; A276-L278 VanDerWaalsContact C-N 3.34Å; A276-A279 PolarHBondContact O-N 3.47Å; A276-Y280 PolarHBondContact O-N 3.03Å; A276-H308 HydrophobicContact CB-CB 3.9Å; A276-L312 HydrophobicContact CB-CD1 4.05Å; A276-L312 HydrophobicContact CB-CD2 4Å; A276-L312 HydrophobicContact CB-CG 3.79Å
277C96.9Very high87.5Confident0 Ų029.1 Ų29.10%015%0.152CC..Hα-helixtrans-62.1-43.5169.5-168.40000111.1L216 L221 E273 S274 A279 Y280 L281L216-C277 HydrophobicContact CB-CB 4.3Å; L216-C277 WeakPolarHBondContact O-CB 3.31Å; L216-C277 PolarHBondContact O-SG 3.38Å; L221-C277 HydrophobicContact CB-CB 4.28Å; L221-C277 HydrophobicContact CD1-CB 3.91Å; E273-C277 PolarHBondContact O-N 2.87Å; S274-C277 PolarHBondContact O-N 3.04Å; C277-A279 VanDerWaalsContact C-N 3.33Å; C277-A279 PolarHBondContact O-N 3.31Å; C277-Y280 WeakPolarHBondContact O-CB 3.43Å; C277-Y280 PolarHBondContact O-N 2.93Å; C277-Y280 VanDerWaalsContact O-N 3.16Å; C277-L281 WeakPolarHBondContact O-CG 3.14Å; C277-L281 PolarHBondContact O-N 3.23Å
278L96.1Very high89Confident0 Ų024.6 Ų24.60%013%0.131CC..Hα-helixtrans-56.9-45.8175.7-176.760.8000111.8L216 M241 L244 L251 L254 L255 S274 T275 A276 Y280 L281 L282L216-L278 HydrophobicContact CD1-CB 4.15Å; L216-L278 HydrophobicContact CD1-CD1 4.29Å; M241-L278 HydrophobicContact CE-CD1 3.76Å; M241-L278 HydrophobicContact SD-CD1 3.18Å; M241-L278 WeakPolarHBondContact SD-CD1 3.28Å; L244-L278 HydrophobicContact CD1-CD1 3.89Å; L244-L278 HydrophobicContact CD1-CD2 4.45Å; L251-L278 HydrophobicContact CD2-CD1 3.99Å; L251-L278 HydrophobicContact CD2-CD2 4.35Å; L254-L278 HydrophobicContact CB-CD2 3.86Å; L254-L278 HydrophobicContact CD1-CD2 4.11Å; L255-L278 HydrophobicContact CD1-CG 4.4Å; L255-L278 HydrophobicContact CD2-CB 3.97Å; L255-L278 HydrophobicContact CD2-CD2 3.83Å; L255-L278 HydrophobicContact CD2-CG 3.79Å; L255-L278 HydrophobicContact CG-CD2 3.94Å; L255-L278 HydrophobicContact CG-CG 4.15Å; S274-L278 WeakPolarHBondContact O-CB 3.44Å; S274-L278 PolarHBondContact O-N 3.22Å; T275-L278 WeakPolarHBondContact O-CB 3.35Å; T275-L278 PolarHBondContact O-N 2.79Å; A276-L278 VanDerWaalsContact C-N 3.34Å; L278-Y280 VanDerWaalsContact C-N 3.32Å; L278-Y280 PolarHBondContact O-N 2.85Å; L278-L281 PolarHBondContact O-N 3.23Å; L278-L282 WeakPolarHBondContact O-CB 3.2Å; L278-L282 PolarHBondContact O-N 3.18Å
279A96.4Very high90.3Very high0 Ų023 Ų230%012%0.117CC..Hα-helixtrans-61.3-41.117700000111.5L255 T275 A276 C277 F283 H308 L327L255-A279 HydrophobicContact CD2-CB 3.87Å; T275-A279 PolarHBondContact O-N 3.32Å; A276-A279 PolarHBondContact O-N 3.47Å; C277-A279 VanDerWaalsContact C-N 3.33Å; C277-A279 PolarHBondContact O-N 3.31Å; A279-F283 HydrophobicContact CB-CD2 4.35Å; A279-F283 WeakPolarHBondContact O-CB 3.32Å; A279-F283 WeakPolarHBondContact O-CD2 3.47Å; A279-F283 PolarHBondContact O-N 3Å; A279-H308 HydrophobicContact CB-CB 4.1Å; A279-L327 HydrophobicContact CB-CD1 4.49Å; A279-L327 HydrophobicContact CB-CD2 3.89Å
280Y97.4Very high91.7Very high18 Ų1826.4 Ų26.47%0.07114%0.135CC..Hα-helixtrans-62.6-49.8174.6170.8-95.1000112.3L225 A276 C277 L278 L282 V284 Q285 K323 A326L225-Y280 HydrophobicContact CD1-CE1 4.4Å; A276-Y280 PolarHBondContact O-N 3.03Å; C277-Y280 WeakPolarHBondContact O-CB 3.43Å; C277-Y280 PolarHBondContact O-N 2.93Å; C277-Y280 VanDerWaalsContact O-N 3.16Å; L278-Y280 VanDerWaalsContact C-N 3.32Å; L278-Y280 PolarHBondContact O-N 2.85Å; Y280-L282 VanDerWaalsContact C-N 3.27Å; Y280-L282 PolarHBondContact O-N 3.15Å; Y280-V284 HydrophobicContact CD2-CB 3.76Å; Y280-V284 HydrophobicContact CD2-CG1 4.12Å; Y280-V284 HydrophobicContact CD2-CG2 3.68Å; Y280-V284 HydrophobicContact CE2-CB 3.82Å; Y280-V284 HydrophobicContact CE2-CG1 3.67Å; Y280-V284 HydrophobicContact CE2-CG2 4.11Å; Y280-V284 HydrophobicContact CG-CB 4.43Å; Y280-V284 HydrophobicContact CG-CG2 4.48Å; Y280-V284 WeakPolarHBondContact O-CA 3.24Å; Y280-V284 WeakPolarHBondContact O-CB 3.39Å; Y280-V284 PolarHBondContact O-N 3.34Å; Y280-Q285 HydrophobicContact CD1-CG 4.25Å; Y280-Q285 HydrophobicContact CE1-CG 3.61Å; Y280-Q285 PolarHBondContact O-N 3.41Å; Y280-Q285 VanDerWaalsContact O-N 3.16Å; Y280-Q285 PolarHBondContact OH-NE2 3.14Å; Y280-K323 HydrophobicContact CD1-CD 3.92Å; Y280-K323 HydrophobicContact CD1-CG 4.08Å; Y280-K323 HydrophobicContact CD2-CB 3.7Å; Y280-K323 HydrophobicContact CD2-CD 4.46Å; Y280-K323 HydrophobicContact CD2-CG 3.78Å; Y280-K323 HydrophobicContact CE1-CD 3.96Å; Y280-K323 HydrophobicContact CE1-CG 3.96Å; Y280-K323 HydrophobicContact CE2-CB 3.97Å; Y280-K323 HydrophobicContact CE2-CD 4.5Å; Y280-K323 HydrophobicContact CE2-CG 3.65Å; Y280-K323 HydrophobicContact CG-CB 4.05Å; Y280-K323 HydrophobicContact CG-CD 4.17Å; Y280-K323 HydrophobicContact CG-CG 4Å; Y280-A326 HydrophobicContact CE2-CB 4.11Å
281L96.9Very high92.8Very high0 Ų028.6 Ų28.60%015%0.15CC..Hα-helixtrans-60-40.4179.6-65.7178.8000111.8L216 L220 L225 A237 M241 C277 L278 Q285 L286 I287L216-L281 HydrophobicContact CD2-CD1 3.47Å; L216-L281 VanDerWaalsContact CD2-CD1 3.47Å; L220-L281 HydrophobicContact CD1-CD1 4.47Å; L225-L281 HydrophobicContact CD1-CD2 3.27Å; A237-L281 HydrophobicContact CB-CD1 4.12Å; A237-L281 HydrophobicContact CB-CD2 4.05Å; M241-L281 HydrophobicContact CG-CD1 4.24Å; M241-L281 HydrophobicContact SD-CB 4.25Å; M241-L281 HydrophobicContact SD-CD1 4.2Å; C277-L281 WeakPolarHBondContact O-CG 3.14Å; C277-L281 PolarHBondContact O-N 3.23Å; L278-L281 PolarHBondContact O-N 3.23Å; L281-Q285 HydrophobicContact CD2-CG 4.49Å; L281-Q285 CarbonylContact O-C 3.35Å; L281-Q285 WeakPolarHBondContact O-CB 3.48Å; L281-L286 PolarHBondContact O-N 2.74Å; L281-L286 VanDerWaalsContact O-N 3.15Å; L281-I287 HydrophobicContact CD2-CD1 4.17Å; L281-I287 PolarHBondContact O-N 3.26Å
282L95.4Very high93.3Very high0 Ų028.6 Ų28.60%015%0.149CC..Hα-helixtrans-73-58.9179.9-175.667.8000111.8M241 L251 L255 L278 Y280 L286 I287 M289 F292M241-L282 HydrophobicContact CE-CB 4.32Å; M241-L282 HydrophobicContact CE-CD1 4.3Å; L251-L282 HydrophobicContact CD1-CD1 4.43Å; L255-L282 HydrophobicContact CD1-CD2 3.4Å; L255-L282 VanDerWaalsContact CD1-CD2 3.4Å; L278-L282 WeakPolarHBondContact O-CB 3.2Å; L278-L282 PolarHBondContact O-N 3.18Å; Y280-L282 VanDerWaalsContact C-N 3.27Å; Y280-L282 PolarHBondContact O-N 3.15Å; L282-L286 WeakPolarHBondContact O-CA 3.29Å; L282-L286 PolarHBondContact O-N 3.24Å; L282-I287 WeakPolarHBondContact CD1-O 3.26Å; L282-M289 HydrophobicContact CD1-CG 4.03Å; L282-M289 HydrophobicContact CD1-SD 3.4Å; L282-M289 WeakPolarHBondContact CD1-SD 3Å; L282-M289 HydrophobicContact CD2-SD 4.47Å; L282-M289 HydrophobicContact CG-SD 3.52Å; L282-M289 VanDerWaalsContact CG-SD 3.52Å; L282-M289 VanDerWaalsContact O-CG 3.26Å; L282-M289 WeakPolarHBondContact O-CG 3.36Å; L282-F292 HydrophobicContact CD1-CB 4.14Å; L282-F292 HydrophobicContact CD1-CD2 4.37Å; L282-F292 HydrophobicContact CD1-CG 4.38Å; L282-F292 HydrophobicContact CD2-CD1 4.44Å; L282-F292 HydrophobicContact CD2-CD2 3.4Å; L282-F292 VanDerWaalsContact CD2-CD2 3.4Å; L282-F292 HydrophobicContact CD2-CE2 3.54Å; L282-F292 HydrophobicContact CD2-CG 3.88Å; L282-F292 HydrophobicContact CD2-CZ 4.13Å; L282-F292 HydrophobicContact CG-CD2 4.47Å
283F95.1Very high93.2Very high23 Ų2327.4 Ų27.410%0.10115%0.151CC..Hα-helixtrans-86.7-22.7-168.8-65-65.1000114.7L255 F256 A279 M289 F292 I301 N305 L327L255-F283 HydrophobicContact CD1-CE2 4.06Å; F256-F283 HydrophobicContact CE1-CE2 4.43Å; F256-F283 HydrophobicContact CE1-CZ 4.26Å; F256-F283 AromaticContact CZ-CZ 4Å; F256-F283 HydrophobicContact CZ-CZ 4Å; A279-F283 HydrophobicContact CB-CD2 4.35Å; A279-F283 WeakPolarHBondContact O-CB 3.32Å; A279-F283 WeakPolarHBondContact O-CD2 3.47Å; A279-F283 PolarHBondContact O-N 3Å; F283-M289 HydrophobicContact CD1-SD 4.41Å; F283-F292 HydrophobicContact CE1-CE1 4.11Å; F283-F292 HydrophobicContact CE1-CZ 4.46Å; F283-F292 HydrophobicContact CZ-CE1 4.01Å; F283-F292 AromaticContact CZ-CZ 3.91Å; F283-F292 HydrophobicContact CZ-CZ 3.91Å; F283-I301 HydrophobicContact CD1-CG2 4.07Å; F283-I301 HydrophobicContact CE1-CG2 3.78Å; F283-I301 HydrophobicContact CZ-CG2 4.03Å; F283-N305 VanDerWaalsContact CD2-ND2 3.29Å; F283-N305 WeakPolarHBondContact CD2-ND2 3.18Å; F283-N305 WeakPolarHBondContact CD2-OD1 3.23Å; F283-N305 VanDerWaalsContact CE2-OD1 3.28Å; F283-N305 WeakPolarHBondContact CE2-OD1 3.32Å; F283-L327 HydrophobicContact CB-CD1 3.94Å; F283-L327 HydrophobicContact CD2-CD1 4.44Å
284V95.4Very high93Very high16 Ų1632.2 Ų32.210%0.09718%0.181CC..THydrogen-bonded Turntrans-100.6-52.7178.9-175.50000110.9Y280 L286 A326 L327 K330Y280-V284 HydrophobicContact CD2-CB 3.76Å; Y280-V284 HydrophobicContact CD2-CG1 4.12Å; Y280-V284 HydrophobicContact CD2-CG2 3.68Å; Y280-V284 HydrophobicContact CE2-CB 3.82Å; Y280-V284 HydrophobicContact CE2-CG1 3.67Å; Y280-V284 HydrophobicContact CE2-CG2 4.11Å; Y280-V284 HydrophobicContact CG-CB 4.43Å; Y280-V284 HydrophobicContact CG-CG2 4.48Å; Y280-V284 WeakPolarHBondContact O-CA 3.24Å; Y280-V284 WeakPolarHBondContact O-CB 3.39Å; Y280-V284 PolarHBondContact O-N 3.34Å; V284-L286 VanDerWaalsContact C-N 3.3Å; V284-A326 HydrophobicContact CG1-CB 4.09Å; V284-L327 HydrophobicContact CG2-CB 4.02Å; V284-L327 HydrophobicContact CG2-CD1 3.97Å; V284-K330 HydrophobicContact CB-CG 4.43Å; V284-K330 HydrophobicContact CG1-CG 4.19Å; V284-K330 HydrophobicContact CG2-CB 4.19Å; V284-K330 HydrophobicContact CG2-CG 4.09Å
285Q94.4Very high92.6Very high16 Ų1634.5 Ų34.58%0.07519%0.194CC..THydrogen-bonded Turntrans-83.1-9.3-178.3-60.6-64.5-38.900113.2L225 Q227 Y280 L281 I287L225-Q285 PolarHBondContact O-NE2 3.49Å; L225-Q285 VanDerWaalsContact O-NE2 3.08Å; Q227-Q285 VanDerWaalsContact N-OE1 3.12Å; Y280-Q285 HydrophobicContact CD1-CG 4.25Å; Y280-Q285 HydrophobicContact CE1-CG 3.61Å; Y280-Q285 PolarHBondContact O-N 3.41Å; Y280-Q285 VanDerWaalsContact O-N 3.16Å; Y280-Q285 PolarHBondContact OH-NE2 3.14Å; L281-Q285 HydrophobicContact CD2-CG 4.49Å; L281-Q285 CarbonylContact O-C 3.35Å; L281-Q285 WeakPolarHBondContact O-CB 3.48Å; Q285-I287 HydrophobicContact CB-CD1 4.08Å; Q285-I287 HydrophobicContact CB-CG1 4.02Å; Q285-I287 PolarHBondContact O-N 2.95Å
286L93.7Very high92.2Very high90 Ų9043.4 Ų43.447%0.47123%0.233SC..  trans60.227177.5-54.2176.9000113.8L281 L282 V284 M289L281-L286 PolarHBondContact O-N 2.74Å; L281-L286 VanDerWaalsContact O-N 3.15Å; L282-L286 WeakPolarHBondContact O-CA 3.29Å; L282-L286 PolarHBondContact O-N 3.24Å; V284-L286 VanDerWaalsContact C-N 3.3Å; L286-M289 HydrophobicContact CB-CG 4Å; L286-M289 HydrophobicContact CD2-CG 3.86Å
287I93.4Very high92.1Very high10 Ų1046 Ų465%0.05125%0.252CS..THydrogen-bonded Turntrans-76.9130.1177.5-60.2173.2000109.3W234 A237 V238 M241 L281 L282 Q285 M289W234-I287 HydrophobicContact CZ2-CG1 4.42Å; A237-I287 HydrophobicContact CB-CD1 4.19Å; V238-I287 HydrophobicContact CB-CG2 4.44Å; V238-I287 HydrophobicContact CG2-CD1 4.1Å; V238-I287 HydrophobicContact CG2-CG1 4.31Å; V238-I287 HydrophobicContact CG2-CG2 3.9Å; M241-I287 HydrophobicContact CB-CG2 3.69Å; M241-I287 HydrophobicContact CG-CB 4.37Å; M241-I287 HydrophobicContact CG-CG2 3.62Å; L281-I287 HydrophobicContact CD2-CD1 4.17Å; L281-I287 PolarHBondContact O-N 3.26Å; L282-I287 WeakPolarHBondContact CD1-O 3.26Å; Q285-I287 HydrophobicContact CB-CD1 4.08Å; Q285-I287 HydrophobicContact CB-CG1 4.02Å; Q285-I287 PolarHBondContact O-N 2.95Å; I287-M289 PolarHBondContact O-N 3.37Å
288A90.3Very high92Very high17 Ų1747.9 Ų47.914%0.1426%0.263CS..THydrogen-bonded Turntrans58.721.4-179.500000115M241 L251 D290 T291M241-A288 HydrophobicContact CB-CB 4.24Å; M241-A288 HydrophobicContact CE-CB 4.07Å; L251-A288 HydrophobicContact CD1-CB 4.36Å; A288-D290 VanDerWaalsContact C-OD1 3.26Å; A288-D290 WeakPolarHBondContact CA-OD1 3.33Å; A288-D290 PolarHBondContact O-N 3.31Å; A288-T291 PolarHBondContact O-N 3.43Å; A288-T291 PolarHBondContact O-OG1 3.12Å
289M90.1Very high91.9Very high60 Ų6049.2 Ų49.230%0.29627%0.272SS..THydrogen-bonded Turntrans-62.1-24.9178.4-82.1-63.2-61.800113.8L282 F283 L286 I287 T291 F292L282-M289 HydrophobicContact CD1-CG 4.03Å; L282-M289 HydrophobicContact CD1-SD 3.4Å; L282-M289 WeakPolarHBondContact CD1-SD 3Å; L282-M289 HydrophobicContact CD2-SD 4.47Å; L282-M289 HydrophobicContact CG-SD 3.52Å; L282-M289 VanDerWaalsContact CG-SD 3.52Å; L282-M289 VanDerWaalsContact O-CG 3.26Å; L282-M289 WeakPolarHBondContact O-CG 3.36Å; F283-M289 HydrophobicContact CD1-SD 4.41Å; L286-M289 HydrophobicContact CB-CG 4Å; L286-M289 HydrophobicContact CD2-CG 3.86Å; I287-M289 PolarHBondContact O-N 3.37Å; M289-T291 VanDerWaalsContact C-N 3.27Å; M289-T291 PolarHBondContact O-N 3.47Å; M289-F292 PolarHBondContact O-N 3.15Å
290D88.9Confident91.7Very high146 Ų14653 Ų5378%0.78129%0.288SS*.THydrogen-bonded Turntrans-66.7-27.5173.960-49.7000113A288A288-D290 VanDerWaalsContact C-OD1 3.26Å; A288-D290 WeakPolarHBondContact CA-OD1 3.33Å; A288-D290 PolarHBondContact O-N 3.31Å
291T85.9Confident91.5Very high75 Ų7553.4 Ų53.446%0.4629%0.291SS..THydrogen-bonded Turntrans-86.1-13.3175.970.80000113A288 M289A288-T291 PolarHBondContact O-N 3.43Å; A288-T291 PolarHBondContact O-OG1 3.12Å; M289-T291 VanDerWaalsContact C-N 3.27Å; M289-T291 PolarHBondContact O-N 3.47Å
292F88.6Confident91.5Very high14 Ų1453.4 Ų53.46%0.06129%0.291CS..SBendtrans-85.5137.3-177.7-163.6-98.9000111.2L251 P252 L255 F256 L282 F283 M289 V294 V295L251-F292 HydrophobicContact CB-CD2 4.03Å; L251-F292 HydrophobicContact CB-CE2 4.36Å; P252-F292 HydrophobicContact CB-CE2 4.17Å; P252-F292 HydrophobicContact CG-CD2 3.97Å; P252-F292 HydrophobicContact CG-CE2 3.59Å; P252-F292 HydrophobicContact CG-CZ 4.16Å; L255-F292 HydrophobicContact CD1-CE2 4.26Å; F256-F292 HydrophobicContact CD2-CZ 4.48Å; F256-F292 HydrophobicContact CE1-CZ 4.46Å; F256-F292 HydrophobicContact CE2-CE1 4.2Å; F256-F292 AromaticContact CE2-CZ 3.52Å; F256-F292 HydrophobicContact CE2-CZ 3.52Å; F256-F292 HydrophobicContact CZ-CE1 4.18Å; F256-F292 AromaticContact CZ-CZ 3.53Å; F256-F292 HydrophobicContact CZ-CZ 3.53Å; L282-F292 HydrophobicContact CD1-CB 4.14Å; L282-F292 HydrophobicContact CD1-CD2 4.37Å; L282-F292 HydrophobicContact CD1-CG 4.38Å; L282-F292 HydrophobicContact CD2-CD1 4.44Å; L282-F292 HydrophobicContact CD2-CD2 3.4Å; L282-F292 VanDerWaalsContact CD2-CD2 3.4Å; L282-F292 HydrophobicContact CD2-CE2 3.54Å; L282-F292 HydrophobicContact CD2-CG 3.88Å; L282-F292 HydrophobicContact CD2-CZ 4.13Å; L282-F292 HydrophobicContact CG-CD2 4.47Å; F283-F292 HydrophobicContact CE1-CE1 4.11Å; F283-F292 HydrophobicContact CE1-CZ 4.46Å; F283-F292 HydrophobicContact CZ-CE1 4.01Å; F283-F292 AromaticContact CZ-CZ 3.91Å; F283-F292 HydrophobicContact CZ-CZ 3.91Å; M289-F292 PolarHBondContact O-N 3.15Å; F292-V294 PolarHBondContact O-N 3.5Å; F292-V295 HydrophobicContact CE1-CG2 4.14Å
293P87.7Confident91.3Very high72 Ų7256.4 Ų56.447%0.46831%0.305SS..  trans-56.6138.8178-2433.9000112.1P252 V295P252-P293 HydrophobicContact CG-CG 3.64Å; P293-V295 PolarHBondContact O-N 3.01Å
294V87.1Confident91.2Very high116 Ų11656.4 Ų56.470%0.70331%0.308SS*.  trans-68.6106.7174.7-1790000109F292 F296F292-V294 PolarHBondContact O-N 3.5Å; V294-F296 HydrophobicContact CG1-CD1 4.5Å; V294-F296 HydrophobicContact CG1-CE1 4.05Å; V294-F296 HydrophobicContact CG1-CE2 4.42Å; V294-F296 HydrophobicContact CG1-CZ 4.01Å
295V86.6Confident91.2Very high47 Ų4755.7 Ų55.729%0.28530%0.304SS..  trans-96.6116.9175.7178.40000109.2F292 P293 F300 I301F292-V295 HydrophobicContact CE1-CG2 4.14Å; P293-V295 PolarHBondContact O-N 3.01Å; V295-F300 HydrophobicContact CG1-CD1 3.79Å; V295-I301 HydrophobicContact CB-CD1 4.02Å; V295-I301 HydrophobicContact CB-CG1 4.05Å; V295-I301 HydrophobicContact CG1-CD1 4.13Å; V295-I301 HydrophobicContact CG1-CG1 3.73Å
296F85.3Confident91.2Very high192 Ų19254.9 Ų54.984%0.84230%0.3SS*.  trans-79-24.7-176.2-64.5-79000114.1V294 P298V294-F296 HydrophobicContact CG1-CD1 4.5Å; V294-F296 HydrophobicContact CG1-CE1 4.05Å; V294-F296 HydrophobicContact CG1-CE2 4.42Å; V294-F296 HydrophobicContact CG1-CZ 4.01Å; F296-P298 VanDerWaalsContact O-CD 3.24Å; F296-P298 WeakPolarHBondContact O-CD 3.49Å
297S92.8Very high91.2Very high55 Ų5556.2 Ų56.239%0.38530%0.304SS..  trans-91.3108.9-179.3178.80000110.8V299 F300 I301S297-V299 PolarHBondContact O-N 3.3Å; S297-F300 PolarHBondContact O-N 3.31Å; S297-F300 PolarHBondContact OG-N 2.66Å; S297-I301 PolarHBondContact O-N 3.01Å
298P93.6Very high91.2Very high38 Ų3856 Ų5625%0.24730%0.303CS..Hα-helixtrans-65.6-2817527.8-34.7000111.8F296 I301 L302 K334 V335F296-P298 VanDerWaalsContact O-CD 3.24Å; F296-P298 WeakPolarHBondContact O-CD 3.49Å; P298-I301 PolarHBondContact O-N 2.98Å; P298-L302 PolarHBondContact O-N 3.46Å; P298-K334 HydrophobicContact CB-CB 3.81Å; P298-K334 WeakPolarHBondContact CG-O 3.12Å; P298-V335 HydrophobicContact CB-CG2 4.06Å
299V95.2Very high91.6Very high28 Ų2855.2 Ų55.217%0.1730%0.296CS..Hα-helixtrans-66.1-38.5176.3-179.10000111.3S297 L302 Q303 V335 L340 L344S297-V299 PolarHBondContact O-N 3.3Å; V299-L302 PolarHBondContact O-N 2.95Å; V299-Q303 VanDerWaalsContact O-CG 3.31Å; V299-Q303 WeakPolarHBondContact O-CG 3.46Å; V299-Q303 PolarHBondContact O-N 3.37Å; V299-V335 HydrophobicContact CG2-CG1 4.41Å; V299-L340 HydrophobicContact CB-CD2 4.44Å; V299-L340 HydrophobicContact CG1-CD2 3.94Å; V299-L340 HydrophobicContact CG2-CD2 3.88Å; V299-L344 HydrophobicContact CG1-CD1 3.77Å
300F92.6Very high91.9Very high80 Ų8054.1 Ų54.135%0.35129%0.291SS..Hα-helixtrans-63.7-45.6175.3178-94.3000111.4F256 V295 S297 L302 Q303 C304F256-F300 AromaticContact CD2-CE1 4Å; F256-F300 HydrophobicContact CD2-CE1 4Å; F256-F300 HydrophobicContact CD2-CZ 4.37Å; F256-F300 AromaticContact CE2-CE1 3.79Å; F256-F300 HydrophobicContact CE2-CE1 3.79Å; F256-F300 HydrophobicContact CZ-CE1 4.34Å; V295-F300 HydrophobicContact CG1-CD1 3.79Å; S297-F300 PolarHBondContact O-N 3.31Å; S297-F300 PolarHBondContact OG-N 2.66Å; F300-L302 VanDerWaalsContact C-N 3.31Å; F300-L302 PolarHBondContact O-N 2.86Å; F300-Q303 PolarHBondContact O-N 2.93Å; F300-C304 PolarHBondContact O-N 3.37Å; F300-C304 VanDerWaalsContact O-N 3.07Å; F300-C304 PolarHBondContact O-SG 3.47Å; F300-C304 VanDerWaalsContact O-SG 3.41Å
301I93Very high92.2Very high27 Ų2748.5 Ų48.514%0.13826%0.26CS..Hα-helixtrans-60.2-44.1176.5-60176.3000110.4F283 V295 S297 P298 Q303 C304 N305F283-I301 HydrophobicContact CD1-CG2 4.07Å; F283-I301 HydrophobicContact CE1-CG2 3.78Å; F283-I301 HydrophobicContact CZ-CG2 4.03Å; V295-I301 HydrophobicContact CB-CD1 4.02Å; V295-I301 HydrophobicContact CB-CG1 4.05Å; V295-I301 HydrophobicContact CG1-CD1 4.13Å; V295-I301 HydrophobicContact CG1-CG1 3.73Å; S297-I301 PolarHBondContact O-N 3.01Å; P298-I301 PolarHBondContact O-N 2.98Å; I301-Q303 PolarHBondContact O-N 3.5Å; I301-C304 PolarHBondContact O-N 3.07Å; I301-N305 WeakPolarHBondContact O-CB 3.34Å; I301-N305 PolarHBondContact O-N 3.33Å
302L95.5Very high92.7Very high0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-56.5-51.7175.1176.365.9000110.8P298 V299 F300 C304 N305 M306 F328 L332 V335 L340 F350P298-L302 PolarHBondContact O-N 3.46Å; V299-L302 PolarHBondContact O-N 2.95Å; F300-L302 VanDerWaalsContact C-N 3.31Å; F300-L302 PolarHBondContact O-N 2.86Å; L302-C304 VanDerWaalsContact C-N 3.32Å; L302-C304 PolarHBondContact O-N 2.93Å; L302-N305 CarbonylContact O-C 3.59Å; L302-N305 PolarHBondContact O-N 3.39Å; L302-N305 VanDerWaalsContact O-N 3.07Å; L302-M306 HydrophobicContact CD1-CG 4.19Å; L302-M306 HydrophobicContact CD1-SD 3.93Å; L302-M306 HydrophobicContact CG-CG 4.29Å; L302-M306 VanDerWaalsContact O-CG 3.28Å; L302-M306 WeakPolarHBondContact O-CG 3.38Å; L302-M306 PolarHBondContact O-N 3.37Å; L302-F328 HydrophobicContact CD1-CE2 4.41Å; L302-L332 HydrophobicContact CD1-CD2 3.9Å; L302-L332 HydrophobicContact CD1-CG 4.22Å; L302-L332 HydrophobicContact CD2-CD2 3.78Å; L302-V335 HydrophobicContact CD2-CG2 4.37Å; L302-L340 HydrophobicContact CD2-CD1 3.72Å; L302-L340 HydrophobicContact CD2-CD2 3.85Å; L302-L340 HydrophobicContact CD2-CG 4.46Å; L302-F350 HydrophobicContact CD2-CE1 4.11Å; L302-F350 HydrophobicContact CD2-CZ 4.2Å; L302-F350 HydrophobicContact CG-CE1 4.4Å; L302-F350 HydrophobicContact CG-CZ 4.11Å
303Q93.3Very high93.1Very high62 Ų6244.5 Ų44.529%0.2924%0.237SC..Hα-helixtrans-54.2-47.6-179.8-73.5168.2600112.4V299 F300 I301 M306 L344 L347 F350V299-Q303 VanDerWaalsContact O-CG 3.31Å; V299-Q303 WeakPolarHBondContact O-CG 3.46Å; V299-Q303 PolarHBondContact O-N 3.37Å; F300-Q303 PolarHBondContact O-N 2.93Å; I301-Q303 PolarHBondContact O-N 3.5Å; Q303-M306 PolarHBondContact O-N 2.91Å; Q303-L344 HydrophobicContact CG-CD2 4.2Å; Q303-L347 HydrophobicContact CG-CD1 4.47Å; Q303-F350 HydrophobicContact CB-CE2 4.3Å; Q303-F350 HydrophobicContact CG-CE2 3.89Å; Q303-F350 HydrophobicContact CG-CZ 3.95Å
304C91Very high93.5Very high24 Ų2443.3 Ų43.316%0.16223%0.23CC..Hα-helixtrans-64.7-39.7177.6-64.60000112.4F256 F300 I301 L302 M306 H308F256-C304 HydrophobicContact CD1-CB 3.32Å; F256-C304 VanDerWaalsContact CD1-SG 3.55Å; F256-C304 HydrophobicContact CE1-CB 3.29Å; F256-C304 HydrophobicContact CG-CB 4.23Å; F256-C304 HydrophobicContact CZ-CB 4.17Å; F300-C304 PolarHBondContact O-N 3.37Å; F300-C304 VanDerWaalsContact O-N 3.07Å; F300-C304 PolarHBondContact O-SG 3.47Å; F300-C304 VanDerWaalsContact O-SG 3.41Å; I301-C304 PolarHBondContact O-N 3.07Å; L302-C304 VanDerWaalsContact C-N 3.32Å; L302-C304 PolarHBondContact O-N 2.93Å; C304-M306 VanDerWaalsContact C-N 3.32Å; C304-M306 PolarHBondContact O-N 3.49Å; C304-H308 PolarHBondContact O-CD2 3.42Å
305N95.4Very high93.8Very high0 Ų041.7 Ų41.70%021%0.212CC..Hα-helixtrans-74.1-20.3-179.8-75.3-16.2000113.4F283 I301 L302 E307 H308 I309 S331F283-N305 VanDerWaalsContact CD2-ND2 3.29Å; F283-N305 WeakPolarHBondContact CD2-ND2 3.18Å; F283-N305 WeakPolarHBondContact CD2-OD1 3.23Å; F283-N305 VanDerWaalsContact CE2-OD1 3.28Å; F283-N305 WeakPolarHBondContact CE2-OD1 3.32Å; I301-N305 WeakPolarHBondContact O-CB 3.34Å; I301-N305 PolarHBondContact O-N 3.33Å; L302-N305 CarbonylContact O-C 3.59Å; L302-N305 PolarHBondContact O-N 3.39Å; L302-N305 VanDerWaalsContact O-N 3.07Å; N305-E307 VanDerWaalsContact C-N 3.25Å; N305-E307 PolarHBondContact O-N 3.42Å; N305-H308 PolarHBondContact O-N 3.18Å; N305-H308 VanDerWaalsContact O-N 3.11Å; N305-I309 HydrophobicContact CB-CD1 4.07Å; N305-I309 WeakPolarHBondContact O-CB 3.34Å; N305-I309 WeakPolarHBondContact O-CD1 3.28Å; N305-I309 VanDerWaalsContact O-CG1 3.22Å; N305-I309 WeakPolarHBondContact O-CG1 3.31Å; N305-I309 PolarHBondContact O-N 3.21Å; N305-S331 PolarHBondContact ND2-OG 3.26Å
306M95.4Very high94Very high0 Ų049.2 Ų49.20%024%0.24CC..Hα-helixtrans-60.6-32.7-177.8-77.6-58.6-7800113.1L302 Q303 C304 I309 N310 F328 S349 F350 A353L302-M306 HydrophobicContact CD1-CG 4.19Å; L302-M306 HydrophobicContact CD1-SD 3.93Å; L302-M306 HydrophobicContact CG-CG 4.29Å; L302-M306 VanDerWaalsContact O-CG 3.28Å; L302-M306 WeakPolarHBondContact O-CG 3.38Å; L302-M306 PolarHBondContact O-N 3.37Å; Q303-M306 PolarHBondContact O-N 2.91Å; C304-M306 VanDerWaalsContact C-N 3.32Å; C304-M306 PolarHBondContact O-N 3.49Å; M306-I309 HydrophobicContact SD-CD1 4.02Å; M306-N310 VanDerWaalsContact O-CB 3.25Å; M306-N310 WeakPolarHBondContact O-CB 3.41Å; M306-N310 PolarHBondContact O-N 3.01Å; M306-F328 HydrophobicContact CE-CE2 4.23Å; M306-F328 HydrophobicContact CE-CZ 4.04Å; M306-F328 HydrophobicContact SD-CD2 4.22Å; M306-F328 HydrophobicContact SD-CE2 3.63Å; M306-F328 HydrophobicContact SD-CZ 4.03Å; M306-S349 WeakPolarHBondContact CB-OG 3.38Å; M306-S349 WeakPolarHBondContact CE-O 3.4Å; M306-F350 HydrophobicContact CB-CD2 4.26Å; M306-F350 HydrophobicContact CB-CE2 4.09Å; M306-F350 HydrophobicContact CE-CB 4.49Å; M306-F350 HydrophobicContact CE-CD1 4.09Å; M306-F350 HydrophobicContact CE-CD2 4.46Å; M306-F350 HydrophobicContact CE-CE1 4.45Å; M306-F350 HydrophobicContact CE-CG 4.1Å; M306-F350 HydrophobicContact CG-CD1 4.45Å; M306-F350 HydrophobicContact CG-CD2 3.93Å; M306-F350 HydrophobicContact CG-CE1 4.11Å; M306-F350 HydrophobicContact CG-CE2 3.56Å; M306-F350 HydrophobicContact CG-CG 4.38Å; M306-F350 HydrophobicContact CG-CZ 3.65Å; M306-A353 HydrophobicContact CE-CB 3.61Å
307E92.8Very high94.4Very high117 Ų11745 Ų4555%0.54722%0.222SC..Hα-helixtrans-67.1-44174.4-68.1-176-177.600111.9N305 N310 Q311N305-E307 VanDerWaalsContact C-N 3.25Å; N305-E307 PolarHBondContact O-N 3.42Å; E307-N310 WeakPolarHBondContact O-CB 3.08Å; E307-N310 PolarHBondContact O-N 3.1Å; E307-Q311 PolarHBondContact O-N 3.17Å
308H95.3Very high94.4Very high6 Ų645 Ų453%0.02822%0.215CC..Hα-helixtrans-65.7-41.8177.2-60.3-50.8000111.6L255 T275 A276 A279 C304 N305 Q311 L312 L327L255-H308 PolarHBondContact O-NE2 2.75Å; L255-H308 VanDerWaalsContact O-NE2 3.12Å; T275-H308 PolarHBondContact OG1-CE1 2.99Å; A276-H308 HydrophobicContact CB-CB 3.9Å; A279-H308 HydrophobicContact CB-CB 4.1Å; C304-H308 PolarHBondContact O-CD2 3.42Å; N305-H308 PolarHBondContact O-N 3.18Å; N305-H308 VanDerWaalsContact O-N 3.11Å; H308-Q311 PolarHBondContact O-N 3.18Å; H308-L312 VanDerWaalsContact O-CG 3.31Å; H308-L312 WeakPolarHBondContact O-CG 3.45Å; H308-L312 PolarHBondContact O-N 3.46Å; H308-L327 HydrophobicContact CB-CD2 4.05Å
309I97.8Very high94.4Very high0 Ų044 Ų440%021%0.21CC..Hα-helixtrans-60.5-47.3173.8-68.5159.2000109.9N305 M306 Q311 L312 L313 L327 F328 A353N305-I309 HydrophobicContact CB-CD1 4.07Å; N305-I309 WeakPolarHBondContact O-CB 3.34Å; N305-I309 WeakPolarHBondContact O-CD1 3.28Å; N305-I309 VanDerWaalsContact O-CG1 3.22Å; N305-I309 WeakPolarHBondContact O-CG1 3.31Å; N305-I309 PolarHBondContact O-N 3.21Å; M306-I309 HydrophobicContact SD-CD1 4.02Å; I309-Q311 VanDerWaalsContact C-N 3.32Å; I309-Q311 PolarHBondContact O-N 3.49Å; I309-L312 PolarHBondContact O-N 3.01Å; I309-L313 HydrophobicContact CG2-CD1 3.67Å; I309-L313 HydrophobicContact CG2-CG 4.14Å; I309-L313 WeakPolarHBondContact O-CB 3.48Å; I309-L313 WeakPolarHBondContact O-CG 3.27Å; I309-L313 PolarHBondContact O-N 3.46Å; I309-L327 HydrophobicContact CD1-CG 4.39Å; I309-L327 HydrophobicContact CG1-CB 4.27Å; I309-L327 HydrophobicContact CG1-CD2 3.95Å; I309-L327 HydrophobicContact CG1-CG 3.87Å; I309-F328 HydrophobicContact CD1-CB 3.88Å; I309-F328 HydrophobicContact CD1-CD2 3.83Å; I309-F328 HydrophobicContact CD1-CG 4.01Å; I309-F328 HydrophobicContact CG1-CB 4.08Å; I309-F328 HydrophobicContact CG2-CB 3.81Å; I309-F328 HydrophobicContact CG2-CD1 3.69Å; I309-F328 HydrophobicContact CG2-CD2 4.43Å; I309-F328 HydrophobicContact CG2-CE1 4.31Å; I309-F328 HydrophobicContact CG2-CG 3.76Å; I309-A353 HydrophobicContact CG2-CB 4.19Å
310N96.2Very high94.4Very high37 Ų3743 Ų4320%0.19820%0.203CC..Hα-helixtrans-58.3-45.6178.1-173.746.5000111.6M306 E307 L312 L313 S314 S352 A353 N356M306-N310 VanDerWaalsContact O-CB 3.25Å; M306-N310 WeakPolarHBondContact O-CB 3.41Å; M306-N310 PolarHBondContact O-N 3.01Å; E307-N310 WeakPolarHBondContact O-CB 3.08Å; E307-N310 PolarHBondContact O-N 3.1Å; N310-L312 PolarHBondContact O-N 3.11Å; N310-L313 PolarHBondContact O-N 2.9Å; N310-S314 WeakPolarHBondContact O-CB 3.18Å; N310-S314 PolarHBondContact O-N 3.39Å; N310-S352 PolarHBondContact ND2-OG 3.15Å; N310-S352 VanDerWaalsContact ND2-OG 3.17Å; N310-S352 WeakPolarHBondContact OD1-CB 3.48Å; N310-S352 PolarHBondContact OD1-OG 3Å; N310-A353 HydrophobicContact CB-CB 4.07Å; N310-A353 PolarHBondContact OD1-N 2.82Å; N310-N356 PolarHBondContact OD1-ND2 3.48Å
311Q94.8Very high94.6Very high28 Ų2839.6 Ų39.613%0.13119%0.188CC..Hα-helixtrans-58.2-47.6176.9-17861.730.300111.5K272 E273 E307 H308 I309 S314K272-Q311 HydrophobicContact CB-CG 4.1Å; E273-Q311 HydrophobicContact CG-CG 4.39Å; E307-Q311 PolarHBondContact O-N 3.17Å; H308-Q311 PolarHBondContact O-N 3.18Å; I309-Q311 VanDerWaalsContact C-N 3.32Å; I309-Q311 PolarHBondContact O-N 3.49Å; Q311-S314 PolarHBondContact O-N 2.94Å; Q311-S314 PolarHBondContact O-OG 3.44Å
312L96.9Very high94.8Very high1 Ų141.2 Ų41.21%0.00520%0.197CC..Hα-helixtrans-66.8-44.2-178.8-68.7170000112.6L221 A276 H308 I309 N310 S314 R315 H320 K323 L327L221-L312 HydrophobicContact CD1-CD2 3.63Å; A276-L312 HydrophobicContact CB-CD1 4.05Å; A276-L312 HydrophobicContact CB-CD2 4Å; A276-L312 HydrophobicContact CB-CG 3.79Å; H308-L312 VanDerWaalsContact O-CG 3.31Å; H308-L312 WeakPolarHBondContact O-CG 3.45Å; H308-L312 PolarHBondContact O-N 3.46Å; I309-L312 PolarHBondContact O-N 3.01Å; N310-L312 PolarHBondContact O-N 3.11Å; L312-S314 VanDerWaalsContact C-N 3.28Å; L312-S314 PolarHBondContact O-N 2.87Å; L312-R315 PolarHBondContact O-N 3.48Å; L312-H320 HydrophobicContact CD2-CB 4.48Å; L312-K323 HydrophobicContact CD1-CB 4.35Å; L312-L327 HydrophobicContact CD1-CD2 4.24Å
313L97.1Very high94.9Very high4 Ų441.5 Ų41.52%0.02120%0.199CC..Hα-helixtrans-72.7-19.5-178.9-64.5-177.6000113.4I309 N310 R315 L321 L325 F328 N356 L357I309-L313 HydrophobicContact CG2-CD1 3.67Å; I309-L313 HydrophobicContact CG2-CG 4.14Å; I309-L313 WeakPolarHBondContact O-CB 3.48Å; I309-L313 WeakPolarHBondContact O-CG 3.27Å; I309-L313 PolarHBondContact O-N 3.46Å; N310-L313 PolarHBondContact O-N 2.9Å; L313-R315 PolarHBondContact O-N 3.14Å; L313-L321 HydrophobicContact CD2-CD2 4.24Å; L313-L325 HydrophobicContact CD2-CD2 3.98Å; L313-L325 HydrophobicContact CD2-CG 4.05Å; L313-F328 HydrophobicContact CD1-CD1 4.15Å; L313-N356 HydrophobicContact CB-CB 3.83Å; L313-L357 HydrophobicContact CD1-CB 4.18Å
314S95.3Very high95.1Very high48 Ų4838.6 Ų38.634%0.33619%0.185SC..THydrogen-bonded Turntrans-71.5-16.4174.577.30000113.5N310 Q311 L312N310-S314 WeakPolarHBondContact O-CB 3.18Å; N310-S314 PolarHBondContact O-N 3.39Å; Q311-S314 PolarHBondContact O-N 2.94Å; Q311-S314 PolarHBondContact O-OG 3.44Å; L312-S314 VanDerWaalsContact C-N 3.28Å; L312-S314 PolarHBondContact O-N 2.87Å
315R93.8Very high95.4Very high82 Ų8237.6 Ų37.631%0.30918%0.178SC..  trans-89.9153.5-177.9-59.9-53.8-161.9-159.21.3111.2E273 L312 L313 H320 L321E273-R315 IonicContact OE1-CZ 3.15Å; E273-R315 IonicContact OE1-NE 2.68Å; E273-R315 PolarHBondContact OE1-NE 3.36Å; E273-R315 IonicContact OE1-NH2 3.86Å; E273-R315 PolarHBondContact OE1-NH2 3.45Å; L312-R315 PolarHBondContact O-N 3.48Å; L313-R315 PolarHBondContact O-N 3.14Å; R315-H320 HydrophobicContact CB-CB 3.92Å; R315-L321 WeakPolarHBondContact O-CD2 3.44Å
316K91.8Very high95.5Very high204 Ų20439 Ų3989%0.88719%0.19SC*.  trans-94.3-7.8179.5-61.8-175.1179.1-176.40114.1
317K92.6Very high95.6Very high104 Ų10439 Ų3945%0.45219%0.19SC..  trans-72.6133.7-179.6-69.7-177.5175.1-174.90110E222 S319 H320 L321E222-K317 IonicContact OE1-NZ 2.8Å; E222-K317 PolarHBondContact OE1-NZ 3.13Å; K317-S319 PolarHBondContact O-N 2.88Å; K317-H320 HydrophobicContact CB-CB 4.35Å; K317-H320 PolarHBondContact O-N 3.28Å; K317-H320 VanDerWaalsContact O-N 3.16Å; K317-L321 PolarHBondContact O-N 2.65Å; K317-L321 VanDerWaalsContact O-N 3.12Å
318E93.9Very high95.9Very high54 Ų5433.5 Ų33.525%0.25216%0.164SC..Hα-helixtrans-55.1-47.2-179.5173.4165.4-158.500112.7Y159 H320 L321 L322 I366 H368 L369Y159-E318 PolarHBondContact OH-OE1 3.38Å; E318-H320 VanDerWaalsContact C-N 3.28Å; E318-H320 PolarHBondContact O-N 3.16Å; E318-L321 PolarHBondContact O-N 2.94Å; E318-L322 HydrophobicContact CG-CD1 3.97Å; E318-L322 HydrophobicContact CG-CG 4.4Å; E318-L322 WeakPolarHBondContact O-CG 3.48Å; E318-L322 PolarHBondContact O-N 3.23Å; E318-I366 HydrophobicContact CB-CD1 3.79Å; E318-I366 HydrophobicContact CG-CD1 3.92Å; E318-H368 IonicContact OE1-CE1 2.78Å; E318-H368 PolarHBondContact OE1-CE1 2.69Å; E318-H368 IonicContact OE1-NE2 3.03Å; E318-L369 HydrophobicContact CG-CD1 4.22Å
319S93.2Very high96Very high19 Ų1934.2 Ų34.213%0.13317%0.171CC..Hα-helixtrans-56.4-40.117855.60000113.3E222 K317 K323E222-S319 WeakPolarHBondContact O-CB 3.42Å; K317-S319 PolarHBondContact O-N 2.88Å; S319-K323 VanDerWaalsContact O-CG 3.31Å; S319-K323 WeakPolarHBondContact O-CG 3.49Å; S319-K323 PolarHBondContact O-N 2.83Å; S319-K323 VanDerWaalsContact O-N 3.14Å
320H95.4Very high96Very high7 Ų738.4 Ų38.43%0.03219%0.189CC..Hα-helixtrans-70.4-44.7179.6-6751.9000110.7L221 L312 R315 K317 E318 K323 G324L221-H320 WeakPolarHBondContact CD2-NE2 3.4Å; L312-H320 HydrophobicContact CD2-CB 4.48Å; R315-H320 HydrophobicContact CB-CB 3.92Å; K317-H320 HydrophobicContact CB-CB 4.35Å; K317-H320 PolarHBondContact O-N 3.28Å; K317-H320 VanDerWaalsContact O-N 3.16Å; E318-H320 VanDerWaalsContact C-N 3.28Å; E318-H320 PolarHBondContact O-N 3.16Å; H320-K323 PolarHBondContact O-N 3.12Å; H320-G324 PolarHBondContact O-N 2.64Å
321L96.9Very high96Very high7 Ų737 Ų374%0.03718%0.182CC..Hα-helixtrans-62.9-44177.7-66.9-177.6000111.5L313 R315 K317 E318 K323 G324 L325 V360 L369L313-L321 HydrophobicContact CD2-CD2 4.24Å; R315-L321 WeakPolarHBondContact O-CD2 3.44Å; K317-L321 PolarHBondContact O-N 2.65Å; K317-L321 VanDerWaalsContact O-N 3.12Å; E318-L321 PolarHBondContact O-N 2.94Å; L321-K323 PolarHBondContact O-N 2.92Å; L321-G324 PolarHBondContact O-N 3.49Å; L321-L325 WeakPolarHBondContact O-CB 3.35Å; L321-L325 WeakPolarHBondContact O-CG 3.3Å; L321-L325 PolarHBondContact O-N 3.22Å; L321-V360 HydrophobicContact CD1-CG2 4.33Å; L321-V360 HydrophobicContact CD2-CG2 3.6Å; L321-L369 HydrophobicContact CB-CD1 3.99Å; L321-L369 HydrophobicContact CD1-CD1 3.91Å
322L95.9Very high96.1Very high62 Ų6235.7 Ų35.733%0.32518%0.176SC..Hα-helixtrans-56.2-50175.2-77171.2000111.5E318 L325 A326 L369E318-L322 HydrophobicContact CG-CD1 3.97Å; E318-L322 HydrophobicContact CG-CG 4.4Å; E318-L322 WeakPolarHBondContact O-CG 3.48Å; E318-L322 PolarHBondContact O-N 3.23Å; L322-L325 PolarHBondContact O-N 2.93Å; L322-A326 VanDerWaalsContact O-CB 3.31Å; L322-A326 WeakPolarHBondContact O-CB 3.4Å; L322-A326 PolarHBondContact O-N 3.36Å; L322-L369 HydrophobicContact CD2-CD2 3.32Å; L322-L369 HydrophobicContact CG-CD2 3.64Å
323K97.4Very high96Very high6 Ų640.6 Ų40.63%0.02620%0.199CC..Hα-helixtrans-66.5-40.1-180-70.2179.6174.8164.30112.3L220 L221 A223 Y280 L312 S319 H320 L321 A326 L327L220-K323 PolarHBondContact O-NZ 2.93Å; L221-K323 HydrophobicContact CD1-CD 3.98Å; L221-K323 WeakPolarHBondContact O-CD 3.36Å; L221-K323 PolarHBondContact O-NZ 3.06Å; A223-K323 WeakPolarHBondContact O-CE 3.28Å; A223-K323 PolarHBondContact O-NZ 3.36Å; Y280-K323 HydrophobicContact CD1-CD 3.92Å; Y280-K323 HydrophobicContact CD1-CG 4.08Å; Y280-K323 HydrophobicContact CD2-CB 3.7Å; Y280-K323 HydrophobicContact CD2-CD 4.46Å; Y280-K323 HydrophobicContact CD2-CG 3.78Å; Y280-K323 HydrophobicContact CE1-CD 3.96Å; Y280-K323 HydrophobicContact CE1-CG 3.96Å; Y280-K323 HydrophobicContact CE2-CB 3.97Å; Y280-K323 HydrophobicContact CE2-CD 4.5Å; Y280-K323 HydrophobicContact CE2-CG 3.65Å; Y280-K323 HydrophobicContact CG-CB 4.05Å; Y280-K323 HydrophobicContact CG-CD 4.17Å; Y280-K323 HydrophobicContact CG-CG 4Å; L312-K323 HydrophobicContact CD1-CB 4.35Å; S319-K323 VanDerWaalsContact O-CG 3.31Å; S319-K323 WeakPolarHBondContact O-CG 3.49Å; S319-K323 PolarHBondContact O-N 2.83Å; S319-K323 VanDerWaalsContact O-N 3.14Å; H320-K323 PolarHBondContact O-N 3.12Å; L321-K323 PolarHBondContact O-N 2.92Å; K323-A326 PolarHBondContact O-N 2.88Å; K323-L327 VanDerWaalsContact O-CB 3.26Å; K323-L327 WeakPolarHBondContact O-CB 3.34Å; K323-L327 PolarHBondContact O-N 3.31Å
324G97.8Very high95.8Very high0 Ų048.4 Ų48.40%023%0.233CC..Hα-helixtrans-62.7-46.7176.400000112.2H320 L321 L327 F328H320-G324 PolarHBondContact O-N 2.64Å; L321-G324 PolarHBondContact O-N 3.49Å; G324-L327 PolarHBondContact O-N 2.9Å; G324-F328 WeakPolarHBondContact O-CB 3.31Å; G324-F328 PolarHBondContact O-N 3.11Å
325L98.1Very high95.8Very high3 Ų346.2 Ų46.22%0.01622%0.218CC..Hα-helixtrans-64-43.5176.4-70.1176.4000111.9L313 L321 L322 F328 A329 L357 L369 V376L313-L325 HydrophobicContact CD2-CD2 3.98Å; L313-L325 HydrophobicContact CD2-CG 4.05Å; L321-L325 WeakPolarHBondContact O-CB 3.35Å; L321-L325 WeakPolarHBondContact O-CG 3.3Å; L321-L325 PolarHBondContact O-N 3.22Å; L322-L325 PolarHBondContact O-N 2.93Å; L325-F328 PolarHBondContact O-N 3.47Å; L325-A329 WeakPolarHBondContact O-CB 3.24Å; L325-A329 PolarHBondContact O-N 3.28Å; L325-L357 HydrophobicContact CD2-CD1 3.5Å; L325-L369 HydrophobicContact CD1-CD2 4.43Å; L325-V376 HydrophobicContact CD2-CB 4.41Å; L325-V376 HydrophobicContact CD2-CG2 4.33Å
326A97.5Very high96Very high30 Ų3049.4 Ų49.425%0.24824%0.236CC..Hα-helixtrans-64.3-43.8177.900000112Y280 V284 L322 K323 F328 A329 K330Y280-A326 HydrophobicContact CE2-CB 4.11Å; V284-A326 HydrophobicContact CG1-CB 4.09Å; L322-A326 VanDerWaalsContact O-CB 3.31Å; L322-A326 WeakPolarHBondContact O-CB 3.4Å; L322-A326 PolarHBondContact O-N 3.36Å; K323-A326 PolarHBondContact O-N 2.88Å; A326-F328 VanDerWaalsContact C-N 3.35Å; A326-A329 PolarHBondContact O-N 3.33Å; A326-K330 WeakPolarHBondContact O-CB 3.48Å; A326-K330 WeakPolarHBondContact O-CG 3.36Å; A326-K330 PolarHBondContact O-N 3.09Å
327L97.9Very high96.2Very high0 Ų043.4 Ų43.40%021%0.214CC..Hα-helixtrans-64-40.5176.3-178.360.9000111.6A279 F283 V284 H308 I309 L312 K323 G324 S331A279-L327 HydrophobicContact CB-CD1 4.49Å; A279-L327 HydrophobicContact CB-CD2 3.89Å; F283-L327 HydrophobicContact CB-CD1 3.94Å; F283-L327 HydrophobicContact CD2-CD1 4.44Å; V284-L327 HydrophobicContact CG2-CB 4.02Å; V284-L327 HydrophobicContact CG2-CD1 3.97Å; H308-L327 HydrophobicContact CB-CD2 4.05Å; I309-L327 HydrophobicContact CD1-CG 4.39Å; I309-L327 HydrophobicContact CG1-CB 4.27Å; I309-L327 HydrophobicContact CG1-CD2 3.95Å; I309-L327 HydrophobicContact CG1-CG 3.87Å; L312-L327 HydrophobicContact CD1-CD2 4.24Å; K323-L327 VanDerWaalsContact O-CB 3.26Å; K323-L327 WeakPolarHBondContact O-CB 3.34Å; K323-L327 PolarHBondContact O-N 3.31Å; G324-L327 PolarHBondContact O-N 2.9Å; L327-S331 VanDerWaalsContact O-CB 3.29Å; L327-S331 WeakPolarHBondContact O-CB 3.32Å; L327-S331 PolarHBondContact O-N 3.24Å; L327-S331 PolarHBondContact O-OG 2.84Å
328F98.2Very high96.3Very high1 Ų142.9 Ų42.90%0.00422%0.216CC..Hα-helixtrans-65.5-47.6177.2-161177.2000111.4L302 M306 I309 L313 G324 L325 A326 K330 S331 L332 L357 V376 F380L302-F328 HydrophobicContact CD1-CE2 4.41Å; M306-F328 HydrophobicContact CE-CE2 4.23Å; M306-F328 HydrophobicContact CE-CZ 4.04Å; M306-F328 HydrophobicContact SD-CD2 4.22Å; M306-F328 HydrophobicContact SD-CE2 3.63Å; M306-F328 HydrophobicContact SD-CZ 4.03Å; I309-F328 HydrophobicContact CD1-CB 3.88Å; I309-F328 HydrophobicContact CD1-CD2 3.83Å; I309-F328 HydrophobicContact CD1-CG 4.01Å; I309-F328 HydrophobicContact CG1-CB 4.08Å; I309-F328 HydrophobicContact CG2-CB 3.81Å; I309-F328 HydrophobicContact CG2-CD1 3.69Å; I309-F328 HydrophobicContact CG2-CD2 4.43Å; I309-F328 HydrophobicContact CG2-CE1 4.31Å; I309-F328 HydrophobicContact CG2-CG 3.76Å; L313-F328 HydrophobicContact CD1-CD1 4.15Å; G324-F328 WeakPolarHBondContact O-CB 3.31Å; G324-F328 PolarHBondContact O-N 3.11Å; L325-F328 PolarHBondContact O-N 3.47Å; A326-F328 VanDerWaalsContact C-N 3.35Å; F328-K330 PolarHBondContact O-N 3.02Å; F328-S331 PolarHBondContact O-N 3.34Å; F328-L332 HydrophobicContact CD2-CD1 3.58Å; F328-L332 HydrophobicContact CD2-CG 3.97Å; F328-L332 HydrophobicContact CE2-CD1 3.58Å; F328-L332 HydrophobicContact CE2-CD2 4.34Å; F328-L332 HydrophobicContact CE2-CG 4.04Å; F328-L332 HydrophobicContact CG-CD1 4.43Å; F328-L332 HydrophobicContact CZ-CD1 4.42Å; F328-L332 WeakPolarHBondContact O-CG 3.4Å; F328-L332 PolarHBondContact O-N 3.49Å; F328-L332 VanDerWaalsContact O-N 3.15Å; F328-L357 HydrophobicContact CD1-CD2 4.2Å; F328-L357 HydrophobicContact CE1-CD2 3.89Å; F328-V376 HydrophobicContact CB-CG1 3.87Å; F328-V376 HydrophobicContact CD1-CG1 3.53Å; F328-V376 HydrophobicContact CD2-CG1 4.43Å; F328-V376 HydrophobicContact CE1-CG1 4.2Å; F328-V376 HydrophobicContact CG-CG1 3.66Å; F328-F380 AromaticContact CE2-CD2 3.82Å; F328-F380 HydrophobicContact CE2-CD2 3.82Å; F328-F380 HydrophobicContact CE2-CE2 4.44Å; F328-F380 HydrophobicContact CE2-CG 4.44Å; F328-F380 HydrophobicContact CZ-CB 4.22Å; F328-F380 AromaticContact CZ-CD2 3.7Å; F328-F380 HydrophobicContact CZ-CD2 3.7Å; F328-F380 HydrophobicContact CZ-CE2 4.25Å; F328-F380 AromaticContact CZ-CG 3.99Å; F328-F380 HydrophobicContact CZ-CG 3.99Å
329A98.1Very high96.3Very high22 Ų2242.6 Ų42.618%0.18222%0.22CC..Hα-helixtrans-56.7-52.7175.400000111.6L325 A326 S331 L332 E333 V376L325-A329 WeakPolarHBondContact O-CB 3.24Å; L325-A329 PolarHBondContact O-N 3.28Å; A326-A329 PolarHBondContact O-N 3.33Å; A329-S331 VanDerWaalsContact C-N 3.31Å; A329-S331 PolarHBondContact O-N 3.25Å; A329-L332 PolarHBondContact O-N 3.01Å; A329-E333 WeakPolarHBondContact O-CG 3.22Å; A329-E333 PolarHBondContact O-N 3.34Å; A329-V376 HydrophobicContact CB-CG2 4.01Å
330K96.8Very high96.5Very high87 Ų8741.7 Ų41.738%0.37821%0.214SC..Hα-helixtrans-62.2-36.5-178.7-75.9-72.2170.2-143.60113.3V284 A326 F328 L332 E333V284-K330 HydrophobicContact CB-CG 4.43Å; V284-K330 HydrophobicContact CG1-CG 4.19Å; V284-K330 HydrophobicContact CG2-CB 4.19Å; V284-K330 HydrophobicContact CG2-CG 4.09Å; A326-K330 WeakPolarHBondContact O-CB 3.48Å; A326-K330 WeakPolarHBondContact O-CG 3.36Å; A326-K330 PolarHBondContact O-N 3.09Å; F328-K330 PolarHBondContact O-N 3.02Å; K330-L332 VanDerWaalsContact C-N 3.27Å; K330-L332 PolarHBondContact O-N 2.76Å; K330-E333 WeakPolarHBondContact CD-OE2 3.47Å; K330-E333 WeakPolarHBondContact CE-OE1 3.42Å; K330-E333 IonicContact NZ-OE1 2.8Å; K330-E333 PolarHBondContact NZ-OE1 3.46Å; K330-E333 IonicContact NZ-OE2 3.76Å; K330-E333 PolarHBondContact NZ-OE2 3.38Å
331S96.4Very high96.5Very high8 Ų844.2 Ų44.26%0.05623%0.231CC..Hα-helixtrans-68.1-28.3176.3-58.70000112.4N305 L327 F328 A329N305-S331 PolarHBondContact ND2-OG 3.26Å; L327-S331 VanDerWaalsContact O-CB 3.29Å; L327-S331 WeakPolarHBondContact O-CB 3.32Å; L327-S331 PolarHBondContact O-N 3.24Å; L327-S331 PolarHBondContact O-OG 2.84Å; F328-S331 PolarHBondContact O-N 3.34Å; A329-S331 VanDerWaalsContact C-N 3.31Å; A329-S331 PolarHBondContact O-N 3.25Å
332L97.2Very high96.4Very high0 Ų045 Ų450%024%0.235CC..Hα-helixtrans-87.2-25.9178.1-68.6168.6000113.7L302 F328 A329 K330 K334 V335 L340 L379 F380 K383L302-L332 HydrophobicContact CD1-CD2 3.9Å; L302-L332 HydrophobicContact CD1-CG 4.22Å; L302-L332 HydrophobicContact CD2-CD2 3.78Å; F328-L332 HydrophobicContact CD2-CD1 3.58Å; F328-L332 HydrophobicContact CD2-CG 3.97Å; F328-L332 HydrophobicContact CE2-CD1 3.58Å; F328-L332 HydrophobicContact CE2-CD2 4.34Å; F328-L332 HydrophobicContact CE2-CG 4.04Å; F328-L332 HydrophobicContact CG-CD1 4.43Å; F328-L332 HydrophobicContact CZ-CD1 4.42Å; F328-L332 WeakPolarHBondContact O-CG 3.4Å; F328-L332 PolarHBondContact O-N 3.49Å; F328-L332 VanDerWaalsContact O-N 3.15Å; A329-L332 PolarHBondContact O-N 3.01Å; K330-L332 VanDerWaalsContact C-N 3.27Å; K330-L332 PolarHBondContact O-N 2.76Å; L332-K334 VanDerWaalsContact C-N 3.25Å; L332-K334 PolarHBondContact O-N 3.18Å; L332-K334 VanDerWaalsContact O-N 3.16Å; L332-V335 WeakPolarHBondContact O-CB 3.37Å; L332-V335 PolarHBondContact O-N 2.93Å; L332-L340 HydrophobicContact CD2-CD1 4.37Å; L332-L379 HydrophobicContact CB-CD2 3.74Å; L332-L379 HydrophobicContact CB-CG 3.95Å; L332-L379 HydrophobicContact CD1-CB 4.49Å; L332-L379 HydrophobicContact CD1-CD2 4.19Å; L332-L379 HydrophobicContact CD1-CG 4.11Å; L332-F380 HydrophobicContact CD1-CB 3.91Å; L332-F380 HydrophobicContact CD1-CD2 4.35Å; L332-F380 HydrophobicContact CD2-CD2 4.1Å; L332-K383 HydrophobicContact CB-CG 4.38Å; L332-K383 HydrophobicContact CD2-CB 4.3Å; L332-K383 HydrophobicContact CD2-CG 3.88Å; L332-K383 VanDerWaalsContact O-CE 3.24Å; L332-K383 WeakPolarHBondContact O-CE 3.49Å
333E94.9Very high96.4Very high105 Ų10544 Ų4449%0.49124%0.24SC..Hα-helixtrans-53.2-38.8-174.8-84.2176.3-16500113.9A329 K330A329-E333 WeakPolarHBondContact O-CG 3.22Å; A329-E333 PolarHBondContact O-N 3.34Å; K330-E333 WeakPolarHBondContact CD-OE2 3.47Å; K330-E333 WeakPolarHBondContact CE-OE1 3.42Å; K330-E333 IonicContact NZ-OE1 2.8Å; K330-E333 PolarHBondContact NZ-OE1 3.46Å; K330-E333 IonicContact NZ-OE2 3.76Å; K330-E333 PolarHBondContact NZ-OE2 3.38Å
334K91.7Very high96.2Very high167 Ų16744.4 Ų44.473%0.72624%0.242SC*.THydrogen-bonded Turntrans-88.4-7.4-177.9-63.8-175-178.6178.10114.1P298 L332P298-K334 HydrophobicContact CB-CB 3.81Å; P298-K334 WeakPolarHBondContact CG-O 3.12Å; L332-K334 VanDerWaalsContact C-N 3.25Å; L332-K334 PolarHBondContact O-N 3.18Å; L332-K334 VanDerWaalsContact O-N 3.16Å
335V96.4Very high96Very high3 Ų345.9 Ų45.92%0.01825%0.25CC..SBendtrans-80.8137.6178-179.30000108.4P298 V299 L302 L332 L340 K383P298-V335 HydrophobicContact CB-CG2 4.06Å; V299-V335 HydrophobicContact CG2-CG1 4.41Å; L302-V335 HydrophobicContact CD2-CG2 4.37Å; L332-V335 WeakPolarHBondContact O-CB 3.37Å; L332-V335 PolarHBondContact O-N 2.93Å; V335-L340 HydrophobicContact CG1-CD1 4.37Å; V335-L340 HydrophobicContact CG1-CD2 3.66Å; V335-L340 HydrophobicContact CG1-CG 3.79Å; V335-K383 HydrophobicContact CB-CD 4.2Å; V335-K383 HydrophobicContact CB-CG 4.27Å; V335-K383 HydrophobicContact CG1-CB 4.14Å; V335-K383 HydrophobicContact CG1-CD 4.26Å; V335-K383 HydrophobicContact CG1-CG 4.22Å; V335-K383 WeakPolarHBondContact O-CD 3.41Å; V335-K383 VanDerWaalsContact O-CE 3.23Å; V335-K383 WeakPolarHBondContact O-CE 3.36Å; V335-K383 PolarHBondContact O-NZ 3.46Å
336E96.6Very high95.7Very high148 Ų14852.4 Ų52.469%0.69229%0.285SS*.PPolyproline II helixtrans-71149.1177.1-173.9175.2-174.100111S339E336-S339 PolarHBondContact O-N 3.3Å; E336-S339 PolarHBondContact O-OG 3.15Å
337D96.4Very high95.5Very high79 Ų7954.6 Ų54.642%0.42229%0.292SS..THydrogen-bonded Turntrans-66.5141175.5-75.1-3.2000110.2S339 K383D337-S339 PolarHBondContact O-N 3.11Å; D337-K383 VanDerWaalsContact OD1-CD 3.3Å; D337-K383 WeakPolarHBondContact OD1-CD 3.44Å; D337-K383 WeakPolarHBondContact OD1-CE 3.36Å; D337-K383 IonicContact OD1-NZ 2.87Å; D337-K383 PolarHBondContact OD1-NZ 3.43Å
338N94.4Very high95.3Very high93 Ų9362.3 Ų62.350%0.49733%0.328SS..THydrogen-bonded Turntrans61.621.4-177.8-40.6-71.8000115.7N382 K383 L384 D385 K389N338-N382 PolarHBondContact N-O 3.38Å; N338-K383 CarbonylContact C-O 3.58Å; N338-K383 PolarHBondContact N-O 3.24Å; N338-L384 WeakPolarHBondContact CA-O 3.31Å; N338-D385 WeakPolarHBondContact O-CB 3.39Å; N338-K389 PolarHBondContact OD1-NZ 3.1Å
339S95.8Very high95Very high47 Ų4762.9 Ų62.933%0.32933%0.332SS..  trans-104.5-13.1-175.283.70000115E336 D337 P341 K383E336-S339 PolarHBondContact O-N 3.3Å; E336-S339 PolarHBondContact O-OG 3.15Å; D337-S339 PolarHBondContact O-N 3.11Å; S339-P341 WeakPolarHBondContact O-CD 3.47Å; S339-K383 PolarHBondContact N-O 3.06Å
340L96.8Very high94.8Very high1 Ų162 Ų621%0.00532%0.324CS..BIsolated β-bridgetrans-79.2117.3-178.2-67.9179.1000110.5V299 L302 L332 V335 L344 K383 L384 D385V299-L340 HydrophobicContact CB-CD2 4.44Å; V299-L340 HydrophobicContact CG1-CD2 3.94Å; V299-L340 HydrophobicContact CG2-CD2 3.88Å; L302-L340 HydrophobicContact CD2-CD1 3.72Å; L302-L340 HydrophobicContact CD2-CD2 3.85Å; L302-L340 HydrophobicContact CD2-CG 4.46Å; L332-L340 HydrophobicContact CD2-CD1 4.37Å; V335-L340 HydrophobicContact CG1-CD1 4.37Å; V335-L340 HydrophobicContact CG1-CD2 3.66Å; V335-L340 HydrophobicContact CG1-CG 3.79Å; L340-L344 HydrophobicContact CD2-CD1 3.95Å; L340-K383 WeakPolarHBondContact CB-O 3.48Å; L340-K383 HydrophobicContact CD1-CB 3.53Å; L340-K383 HydrophobicContact CG-CB 3.94Å; L340-K383 PolarHBondContact N-O 3.46Å; L340-L384 HydrophobicContact CB-CD2 4.14Å; L340-L384 HydrophobicContact CD1-CD2 4.25Å; L340-D385 WeakPolarHBondContact O-CB 3Å; L340-D385 PolarHBondContact O-N 3.06Å
341P95.4Very high94.6Very high60 Ų6063.5 Ų63.539%0.3933%0.328SS..  trans-75.8151.5-174.529.4-32.8000112.2S339 G343 L344 D385S339-P341 WeakPolarHBondContact O-CD 3.47Å; P341-G343 PolarHBondContact O-N 3.02Å; P341-G343 VanDerWaalsContact O-N 3.15Å; P341-L344 HydrophobicContact CG-CD1 4.28Å; P341-L344 HydrophobicContact CG-CG 4.04Å; P341-L344 PolarHBondContact O-N 3.48Å; P341-L344 VanDerWaalsContact O-N 3.11Å; P341-D385 WeakPolarHBondContact CA-OD2 3.27Å
342V95.3Very high94.5Very high23 Ų2364 Ų6414%0.13933%0.332CS..G310 helixtrans-52.6-35.8178.968.20000114.7L344 L345 E387 A388 K391V342-L344 PolarHBondContact O-N 3.41Å; V342-L345 WeakPolarHBondContact O-CB 3.49Å; V342-L345 PolarHBondContact O-N 3.16Å; V342-E387 HydrophobicContact CB-CB 4.19Å; V342-E387 HydrophobicContact CB-CG 3.92Å; V342-E387 HydrophobicContact CG1-CG 4.21Å; V342-E387 HydrophobicContact CG2-CG 3.81Å; V342-A388 HydrophobicContact CB-CB 4.24Å; V342-K391 HydrophobicContact CG2-CD 3.54Å; V342-K391 HydrophobicContact CG2-CG 4.43Å
343G95.1Very high94.5Very high40 Ų4064 Ų6441%0.41233%0.332SS..G310 helixtrans-63.1-16-177.800000113.9P341 L345 D346P341-G343 PolarHBondContact O-N 3.02Å; P341-G343 VanDerWaalsContact O-N 3.15Å; G343-L345 VanDerWaalsContact C-N 3.3Å; G343-D346 PolarHBondContact O-N 3.3Å
344L94.1Very high94.5Very high15 Ų1559 Ų598%0.07931%0.309CS..G310 helixtrans-71.5-27.2172-58.3-173.2000112.7V299 Q303 L340 P341 V342 D346 L347 F350V299-L344 HydrophobicContact CG1-CD1 3.77Å; Q303-L344 HydrophobicContact CG-CD2 4.2Å; L340-L344 HydrophobicContact CD2-CD1 3.95Å; P341-L344 HydrophobicContact CG-CD1 4.28Å; P341-L344 HydrophobicContact CG-CG 4.04Å; P341-L344 PolarHBondContact O-N 3.48Å; P341-L344 VanDerWaalsContact O-N 3.11Å; V342-L344 PolarHBondContact O-N 3.41Å; L344-D346 PolarHBondContact O-N 2.9Å; L344-L347 HydrophobicContact CD2-CD1 4.3Å; L344-L347 WeakPolarHBondContact O-CB 3.46Å; L344-L347 WeakPolarHBondContact O-CG 3.25Å; L344-L347 PolarHBondContact O-N 3.45Å; L344-L347 VanDerWaalsContact O-N 3.1Å; L344-F350 HydrophobicContact CB-CD1 4.08Å; L344-F350 HydrophobicContact CB-CE1 4.03Å; L344-F350 HydrophobicContact CB-CE2 4.45Å; L344-F350 HydrophobicContact CB-CG 4.34Å; L344-F350 HydrophobicContact CB-CZ 4.21Å; L344-F350 HydrophobicContact CD1-CE1 4.14Å; L344-F350 HydrophobicContact CD1-CZ 4.08Å; L344-F350 WeakPolarHBondContact O-CB 3.48Å; L344-F350 VanDerWaalsContact O-CG 3.31Å; L344-F350 WeakPolarHBondContact O-CG 3.32Å
345L93.4Very high94.6Very high31 Ų3152 Ų5216%0.16228%0.278CS..G310 helixtrans-68.7-15.6179-58.5-175.5000112.6V342 G343 L347 F380 L384 A388 K391 F392V342-L345 WeakPolarHBondContact O-CB 3.49Å; V342-L345 PolarHBondContact O-N 3.16Å; G343-L345 VanDerWaalsContact C-N 3.3Å; L345-L347 PolarHBondContact O-N 3.31Å; L345-F380 HydrophobicContact CD2-CZ 4.45Å; L345-L384 HydrophobicContact CD2-CD2 4.12Å; L345-A388 HydrophobicContact CD1-CB 3.94Å; L345-A388 WeakPolarHBondContact CD1-O 3.47Å; L345-A388 HydrophobicContact CG-CB 4.45Å; L345-K391 HydrophobicContact CD1-CB 4.31Å; L345-F392 HydrophobicContact CD1-CB 4.33Å
346D91.7Very high94.7Very high140 Ų14052.9 Ų52.975%0.74928%0.283SS*.G310 helixtrans-75.4-14.3174.3-61.2-33000112.2G343 L344G343-D346 PolarHBondContact O-N 3.3Å; L344-D346 PolarHBondContact O-N 2.9Å
347L92.7Very high94.7Very high76 Ų7645.9 Ų45.940%0.39825%0.25SS..SBendtrans-76.8134.3175.1-58175.8000110.5Q303 L344 L345 S349 F350 Y351Q303-L347 HydrophobicContact CG-CD1 4.47Å; L344-L347 HydrophobicContact CD2-CD1 4.3Å; L344-L347 WeakPolarHBondContact O-CB 3.46Å; L344-L347 WeakPolarHBondContact O-CG 3.25Å; L344-L347 PolarHBondContact O-N 3.45Å; L344-L347 VanDerWaalsContact O-N 3.1Å; L345-L347 PolarHBondContact O-N 3.31Å; L347-S349 VanDerWaalsContact C-N 3.26Å; L347-S349 PolarHBondContact O-N 3.26Å; L347-F350 HydrophobicContact CB-CB 4.42Å; L347-F350 HydrophobicContact CB-CD2 3.88Å; L347-F350 HydrophobicContact CD1-CD2 3.84Å; L347-F350 HydrophobicContact CD1-CE2 3.87Å; L347-F350 HydrophobicContact CG-CD2 4.43Å; L347-F350 PolarHBondContact O-N 3.25Å; L347-Y351 PolarHBondContact O-N 3.45Å
348E93.2Very high94.6Very high163 Ų16344 Ų4476%0.76224%0.237SC*.Hα-helixtrans-55.9-39.1-177.5-176.1179.7178.800112.8F350 Y351 S352E348-F350 VanDerWaalsContact C-N 3.35Å; E348-F350 PolarHBondContact O-N 3.06Å; E348-Y351 PolarHBondContact O-N 2.92Å; E348-S352 WeakPolarHBondContact O-CB 3.16Å; E348-S352 PolarHBondContact O-N 3.43Å; E348-S352 PolarHBondContact O-OG 3.38Å
349S92.3Very high94.7Very high13 Ų1343.3 Ų43.39%0.09123%0.231CC..Hα-helixtrans-66.7-34.4179.260.60000112.6M306 L347 Y351 S352 A353M306-S349 WeakPolarHBondContact CB-OG 3.38Å; M306-S349 WeakPolarHBondContact CE-O 3.4Å; L347-S349 VanDerWaalsContact C-N 3.26Å; L347-S349 PolarHBondContact O-N 3.26Å; S349-Y351 VanDerWaalsContact C-N 3.32Å; S349-S352 WeakPolarHBondContact CA-OG 3.34Å; S349-A353 VanDerWaalsContact O-CB 3.24Å; S349-A353 WeakPolarHBondContact O-CB 3.19Å; S349-A353 PolarHBondContact O-N 2.78Å
350F94.5Very high94.7Very high3 Ų341.4 Ų41.41%0.01322%0.218CC..Hα-helixtrans-75.4-19.9175.6-80.7-100.7000113.4L302 Q303 M306 L344 L347 E348 P354 F380L302-F350 HydrophobicContact CD2-CE1 4.11Å; L302-F350 HydrophobicContact CD2-CZ 4.2Å; L302-F350 HydrophobicContact CG-CE1 4.4Å; L302-F350 HydrophobicContact CG-CZ 4.11Å; Q303-F350 HydrophobicContact CB-CE2 4.3Å; Q303-F350 HydrophobicContact CG-CE2 3.89Å; Q303-F350 HydrophobicContact CG-CZ 3.95Å; M306-F350 HydrophobicContact CB-CD2 4.26Å; M306-F350 HydrophobicContact CB-CE2 4.09Å; M306-F350 HydrophobicContact CE-CB 4.49Å; M306-F350 HydrophobicContact CE-CD1 4.09Å; M306-F350 HydrophobicContact CE-CD2 4.46Å; M306-F350 HydrophobicContact CE-CE1 4.45Å; M306-F350 HydrophobicContact CE-CG 4.1Å; M306-F350 HydrophobicContact CG-CD1 4.45Å; M306-F350 HydrophobicContact CG-CD2 3.93Å; M306-F350 HydrophobicContact CG-CE1 4.11Å; M306-F350 HydrophobicContact CG-CE2 3.56Å; M306-F350 HydrophobicContact CG-CG 4.38Å; M306-F350 HydrophobicContact CG-CZ 3.65Å; L344-F350 HydrophobicContact CB-CD1 4.08Å; L344-F350 HydrophobicContact CB-CE1 4.03Å; L344-F350 HydrophobicContact CB-CE2 4.45Å; L344-F350 HydrophobicContact CB-CG 4.34Å; L344-F350 HydrophobicContact CB-CZ 4.21Å; L344-F350 HydrophobicContact CD1-CE1 4.14Å; L344-F350 HydrophobicContact CD1-CZ 4.08Å; L344-F350 WeakPolarHBondContact O-CB 3.48Å; L344-F350 VanDerWaalsContact O-CG 3.31Å; L344-F350 WeakPolarHBondContact O-CG 3.32Å; L347-F350 HydrophobicContact CB-CB 4.42Å; L347-F350 HydrophobicContact CB-CD2 3.88Å; L347-F350 HydrophobicContact CD1-CD2 3.84Å; L347-F350 HydrophobicContact CD1-CE2 3.87Å; L347-F350 HydrophobicContact CG-CD2 4.43Å; L347-F350 PolarHBondContact O-N 3.25Å; E348-F350 VanDerWaalsContact C-N 3.35Å; E348-F350 PolarHBondContact O-N 3.06Å; F350-P354 WeakPolarHBondContact O-CD 3.28Å; F350-P354 VanDerWaalsContact O-CG 3.25Å; F350-P354 WeakPolarHBondContact O-CG 3.45Å; F350-F380 HydrophobicContact CD1-CE2 4.23Å; F350-F380 HydrophobicContact CD1-CZ 4.35Å; F350-F380 HydrophobicContact CE1-CE2 4.45Å
351Y92.3Very high94.6Very high119 Ų11942.6 Ų42.647%0.46722%0.224SC..Hα-helixtrans-82.8-51.5167.5176.9-98.5000111.7L347 E348 S349 P354 Q355L347-Y351 PolarHBondContact O-N 3.45Å; E348-Y351 PolarHBondContact O-N 2.92Å; S349-Y351 VanDerWaalsContact C-N 3.32Å; Y351-P354 WeakPolarHBondContact O-CD 3.44Å; Y351-Q355 HydrophobicContact CE1-CG 4.23Å; Y351-Q355 HydrophobicContact CE2-CG 4.49Å; Y351-Q355 WeakPolarHBondContact O-CG 3.42Å; Y351-Q355 PolarHBondContact O-N 2.87Å
352S94.9Very high94.6Very high18 Ų1841.2 Ų41.213%0.12621%0.214CC..Hα-helixtrans-71.6-40.4-171.352.60000113.9N310 E348 S349 Q355 N356N310-S352 PolarHBondContact ND2-OG 3.15Å; N310-S352 VanDerWaalsContact ND2-OG 3.17Å; N310-S352 WeakPolarHBondContact OD1-CB 3.48Å; N310-S352 PolarHBondContact OD1-OG 3Å; E348-S352 WeakPolarHBondContact O-CB 3.16Å; E348-S352 PolarHBondContact O-N 3.43Å; E348-S352 PolarHBondContact O-OG 3.38Å; S349-S352 WeakPolarHBondContact CA-OG 3.34Å; S352-Q355 WeakPolarHBondContact O-CB 3.39Å; S352-Q355 PolarHBondContact O-N 3.34Å; S352-Q355 VanDerWaalsContact O-N 3.13Å; S352-N356 PolarHBondContact O-N 3.12Å
353A96.2Very high94.5Very high0 Ų045.5 Ų45.50%024%0.236CC..Hα-helixtrans-64.3-45-178.300000113M306 I309 N310 S349 Q355 N356 L357M306-A353 HydrophobicContact CE-CB 3.61Å; I309-A353 HydrophobicContact CG2-CB 4.19Å; N310-A353 HydrophobicContact CB-CB 4.07Å; N310-A353 PolarHBondContact OD1-N 2.82Å; S349-A353 VanDerWaalsContact O-CB 3.24Å; S349-A353 WeakPolarHBondContact O-CB 3.19Å; S349-A353 PolarHBondContact O-N 2.78Å; A353-Q355 VanDerWaalsContact C-N 3.28Å; A353-Q355 PolarHBondContact O-N 3.4Å; A353-N356 PolarHBondContact O-N 3.33Å; A353-L357 WeakPolarHBondContact O-CB 3.22Å; A353-L357 PolarHBondContact O-N 3.01Å
354P95.3Very high94.4Very high1 Ų144.2 Ų44.21%0.00622%0.221CC..Hα-helixtrans-62.7-30.6171.7-26.237000114.1F350 Y351 L357 R358 F380 F392 M396F350-P354 WeakPolarHBondContact O-CD 3.28Å; F350-P354 VanDerWaalsContact O-CG 3.25Å; F350-P354 WeakPolarHBondContact O-CG 3.45Å; Y351-P354 WeakPolarHBondContact O-CD 3.44Å; P354-L357 PolarHBondContact O-N 3.28Å; P354-R358 PolarHBondContact O-N 2.84Å; P354-F380 HydrophobicContact CB-CE1 4.41Å; P354-F380 HydrophobicContact CG-CD1 4.31Å; P354-F380 HydrophobicContact CG-CE1 3.71Å; P354-F380 HydrophobicContact CG-CZ 3.97Å; P354-F392 HydrophobicContact CB-CE2 3.72Å; P354-F392 HydrophobicContact CB-CZ 4.18Å; P354-F392 HydrophobicContact CG-CE2 4.17Å; P354-M396 HydrophobicContact CB-CE 4.42Å
355Q94.9Very high94.5Very high18 Ų1848.9 Ų48.98%0.08425%0.252CS..Hα-helixtrans-70.8-39.3175.1-64.7-68.6-11.200112Y351 S352 A353 L357 R358 Q359 M396 T399Y351-Q355 HydrophobicContact CE1-CG 4.23Å; Y351-Q355 HydrophobicContact CE2-CG 4.49Å; Y351-Q355 WeakPolarHBondContact O-CG 3.42Å; Y351-Q355 PolarHBondContact O-N 2.87Å; S352-Q355 WeakPolarHBondContact O-CB 3.39Å; S352-Q355 PolarHBondContact O-N 3.34Å; S352-Q355 VanDerWaalsContact O-N 3.13Å; A353-Q355 VanDerWaalsContact C-N 3.28Å; A353-Q355 PolarHBondContact O-N 3.4Å; Q355-L357 VanDerWaalsContact C-N 3.35Å; Q355-R358 WeakPolarHBondContact O-CB 3.47Å; Q355-R358 PolarHBondContact O-N 3.28Å; Q355-Q359 PolarHBondContact O-N 3.07Å; Q355-Q359 VanDerWaalsContact O-N 3.08Å; Q355-M396 HydrophobicContact CG-CE 4.48Å; Q355-T399 PolarHBondContact NE2-OG1 3.44Å; Q355-T399 PolarHBondContact OE1-OG1 3.19Å
356N96.6Very high94.5Very high23 Ų2349.4 Ų49.412%0.12326%0.255CS..Hα-helixtrans-67.1-38.7172.3-73.8-22000110.9N310 L313 S352 A353 R358 Q359 V360N310-N356 PolarHBondContact OD1-ND2 3.48Å; L313-N356 HydrophobicContact CB-CB 3.83Å; S352-N356 PolarHBondContact O-N 3.12Å; A353-N356 PolarHBondContact O-N 3.33Å; N356-R358 VanDerWaalsContact C-N 3.32Å; N356-R358 PolarHBondContact O-N 2.93Å; N356-Q359 WeakPolarHBondContact O-CB 3.35Å; N356-Q359 PolarHBondContact O-N 3.38Å; N356-Q359 VanDerWaalsContact O-N 3.11Å; N356-V360 WeakPolarHBondContact O-CG2 3.38Å; N356-V360 PolarHBondContact O-N 3.23Å
357L96.9Very high94.7Very high0 Ų048.4 Ų48.40%025%0.246CC..Hα-helixtrans-60.1-42.1172-176.452.7000111.5L313 L325 F328 A353 P354 Q355 Q359 V360 L361 V376 F377L313-L357 HydrophobicContact CD1-CB 4.18Å; L325-L357 HydrophobicContact CD2-CD1 3.5Å; F328-L357 HydrophobicContact CD1-CD2 4.2Å; F328-L357 HydrophobicContact CE1-CD2 3.89Å; A353-L357 WeakPolarHBondContact O-CB 3.22Å; A353-L357 PolarHBondContact O-N 3.01Å; P354-L357 PolarHBondContact O-N 3.28Å; Q355-L357 VanDerWaalsContact C-N 3.35Å; L357-Q359 VanDerWaalsContact C-N 3.33Å; L357-Q359 PolarHBondContact O-N 3.19Å; L357-V360 WeakPolarHBondContact O-CA 3.43Å; L357-V360 WeakPolarHBondContact O-CB 3.47Å; L357-V360 PolarHBondContact O-N 2.82Å; L357-V360 VanDerWaalsContact O-N 3.09Å; L357-L361 WeakPolarHBondContact O-CG 3.45Å; L357-L361 PolarHBondContact O-N 2.87Å; L357-V376 HydrophobicContact CD2-CB 4.41Å; L357-V376 HydrophobicContact CD2-CG1 4.09Å; L357-F377 HydrophobicContact CD2-CB 3.87Å; L357-F377 HydrophobicContact CD2-CD2 3.85Å; L357-F377 HydrophobicContact CD2-CG 4.38Å; L357-F377 HydrophobicContact CG-CB 4.36Å; L357-F377 HydrophobicContact CG-CD2 4.12Å
358R95.4Very high94.8Very high39 Ų3948.8 Ų48.815%0.14725%0.245CC..Hα-helixtrans-55.9-46.6171.8179.8-165.468.482.512.8111.7P354 Q355 N356 V360 L361 T362 S400 V405P354-R358 PolarHBondContact O-N 2.84Å; Q355-R358 WeakPolarHBondContact O-CB 3.47Å; Q355-R358 PolarHBondContact O-N 3.28Å; N356-R358 VanDerWaalsContact C-N 3.32Å; N356-R358 PolarHBondContact O-N 2.93Å; R358-V360 VanDerWaalsContact C-N 3.26Å; R358-V360 PolarHBondContact O-N 2.88Å; R358-L361 WeakPolarHBondContact O-CB 3.33Å; R358-L361 PolarHBondContact O-N 3.48Å; R358-T362 PolarHBondContact O-N 3.41Å; R358-T362 VanDerWaalsContact O-N 3.09Å; R358-T362 PolarHBondContact O-OG1 3.3Å; R358-S400 VanDerWaalsContact CD-CA 3.47Å; R358-S400 PolarHBondContact NH1-O 3.27Å; R358-V405 HydrophobicContact CG-CG1 4.34Å; R358-V405 HydrophobicContact CG-CG2 4.43Å
359Q95.2Very high94.9Very high80 Ų8041 Ų4137%0.37421%0.209SC..Hα-helixtrans-60.4-36.9176.4-67.5176.48.800111.7Q355 N356 L357 L361 T362 D363Q355-Q359 PolarHBondContact O-N 3.07Å; Q355-Q359 VanDerWaalsContact O-N 3.08Å; N356-Q359 WeakPolarHBondContact O-CB 3.35Å; N356-Q359 PolarHBondContact O-N 3.38Å; N356-Q359 VanDerWaalsContact O-N 3.11Å; L357-Q359 VanDerWaalsContact C-N 3.33Å; L357-Q359 PolarHBondContact O-N 3.19Å; Q359-L361 VanDerWaalsContact C-N 3.32Å; Q359-L361 PolarHBondContact O-N 3.3Å; Q359-T362 PolarHBondContact O-N 3.48Å; Q359-D363 WeakPolarHBondContact O-CA 3.35Å; Q359-D363 WeakPolarHBondContact O-CB 3.15Å; Q359-D363 PolarHBondContact O-N 2.91Å
360V96.2Very high95.1Very high7 Ų744.2 Ų44.24%0.04222%0.219CC..Hα-helixtrans-61.5-41.5172.7176.70000110.9L321 N356 L357 R358 T362 C364 R370L321-V360 HydrophobicContact CD1-CG2 4.33Å; L321-V360 HydrophobicContact CD2-CG2 3.6Å; N356-V360 WeakPolarHBondContact O-CG2 3.38Å; N356-V360 PolarHBondContact O-N 3.23Å; L357-V360 WeakPolarHBondContact O-CA 3.43Å; L357-V360 WeakPolarHBondContact O-CB 3.47Å; L357-V360 PolarHBondContact O-N 2.82Å; L357-V360 VanDerWaalsContact O-N 3.09Å; R358-V360 VanDerWaalsContact C-N 3.26Å; R358-V360 PolarHBondContact O-N 2.88Å; V360-T362 VanDerWaalsContact C-N 3.33Å; V360-T362 PolarHBondContact O-N 3.45Å; V360-C364 HydrophobicContact CG1-CB 4.18Å; V360-C364 WeakPolarHBondContact O-CB 3.3Å; V360-C364 PolarHBondContact O-N 3.4Å; V360-R370 WeakPolarHBondContact O-CG 3.24Å
361L96.1Very high95.2Very high25 Ų2548.5 Ų48.513%0.13124%0.239CC..Hα-helixtrans-65.2-33.4178.6-59.8179.8000113.4L357 R358 Q359 R370 G373 L374 F377L357-L361 WeakPolarHBondContact O-CG 3.45Å; L357-L361 PolarHBondContact O-N 2.87Å; R358-L361 WeakPolarHBondContact O-CB 3.33Å; R358-L361 PolarHBondContact O-N 3.48Å; Q359-L361 VanDerWaalsContact C-N 3.32Å; Q359-L361 PolarHBondContact O-N 3.3Å; L361-R370 WeakPolarHBondContact CD2-O 3.25Å; L361-R370 VanDerWaalsContact O-CD 3.3Å; L361-R370 WeakPolarHBondContact O-CD 3.4Å; L361-G373 VanDerWaalsContact CD2-C 3.49Å; L361-L374 HydrophobicContact CD1-CD1 4.29Å; L361-L374 HydrophobicContact CD2-CB 3.99Å; L361-L374 VanDerWaalsContact CD2-N 3.27Å; L361-F377 HydrophobicContact CD1-CB 4.34Å; L361-F377 HydrophobicContact CD1-CD1 4.35Å; L361-F377 HydrophobicContact CD1-CG 4.17Å
362T93.6Very high95.5Very high31 Ų3144.9 Ų44.919%0.1923%0.231CC..Hα-helixtrans-98.7-42.1-172.9600000113.2R358 Q359 V360 H402 V405R358-T362 PolarHBondContact O-N 3.41Å; R358-T362 VanDerWaalsContact O-N 3.09Å; R358-T362 PolarHBondContact O-OG1 3.3Å; Q359-T362 PolarHBondContact O-N 3.48Å; V360-T362 VanDerWaalsContact C-N 3.33Å; V360-T362 PolarHBondContact O-N 3.45Å; T362-H402 HydrophobicContact CG2-CB 3.99Å; T362-H402 VanDerWaalsContact CG2-CD2 3.49Å; T362-H402 WeakPolarHBondContact CG2-CD2 3.17Å; T362-V405 HydrophobicContact CG2-CG2 3.89Å
363D93.3Very high95.6Very high114 Ų11444 Ų4461%0.6123%0.225SC*.Hα-helixtrans-107.5-16.8-164-52.4-12.9000112.6Q359Q359-D363 WeakPolarHBondContact O-CA 3.35Å; Q359-D363 WeakPolarHBondContact O-CB 3.15Å; Q359-D363 PolarHBondContact O-N 2.91Å
364C94Very high95.7Very high12 Ų1247.2 Ų47.28%0.08124%0.242CC..  trans-69.4127.3179.8-174.10000110.4V360 I366 R370V360-C364 HydrophobicContact CG1-CB 4.18Å; V360-C364 WeakPolarHBondContact O-CB 3.3Å; V360-C364 PolarHBondContact O-N 3.4Å; C364-I366 VanDerWaalsContact C-N 3.28Å; C364-I366 PolarHBondContact O-N 3.41Å; C364-R370 HydrophobicContact CB-CG 4.17Å; C364-R370 WeakPolarHBondContact O-CD 3.29Å; C364-R370 PolarHBondContact O-NH1 2.74Å
365P94.9Very high95.8Very high114 Ų11454.5 Ų54.574%0.7427%0.273SS*.SBendtrans-72.6-21.2-18027-32.3000113.1R370P365-R370 PolarHBondContact O-NH1 3.48Å
366I94.4Very high96Very high42 Ų4253.9 Ų53.922%0.21527%0.271CS..  trans-87.6116.2-171.1-57.6162.7000110.7E318 C364 H368 L369 R370E318-I366 HydrophobicContact CB-CD1 3.79Å; E318-I366 HydrophobicContact CG-CD1 3.92Å; C364-I366 VanDerWaalsContact C-N 3.28Å; C364-I366 PolarHBondContact O-N 3.41Å; I366-H368 WeakPolarHBondContact CG2-CE1 3.49Å; I366-H368 WeakPolarHBondContact CG2-ND1 3.42Å; I366-H368 PolarHBondContact O-N 2.9Å; I366-L369 HydrophobicContact CB-CB 4.31Å; I366-L369 HydrophobicContact CB-CD1 3.95Å; I366-L369 HydrophobicContact CB-CG 4.02Å; I366-L369 HydrophobicContact CD1-CD1 3.73Å; I366-L369 HydrophobicContact CG1-CD1 4.43Å; I366-L369 HydrophobicContact CG2-CB 4.37Å; I366-L369 HydrophobicContact CG2-CD1 4.18Å; I366-L369 HydrophobicContact CG2-CG 3.84Å; I366-L369 PolarHBondContact O-N 3.37Å; I366-R370 PolarHBondContact O-N 3.42Å
367Q95.4Very high96.1Very high119 Ų11952.9 Ų52.956%0.55627%0.265SS*.Hα-helixtrans-62-46.5-173179.6177-13.600113.7L369 R370 E371Q367-L369 PolarHBondContact O-N 3.29Å; Q367-R370 WeakPolarHBondContact O-CB 3.16Å; Q367-R370 PolarHBondContact O-N 3.42Å; Q367-R370 VanDerWaalsContact O-N 3.08Å; Q367-E371 HydrophobicContact CG-CG 4.38Å; Q367-E371 WeakPolarHBondContact CG-OE1 3.17Å; Q367-E371 PolarHBondContact NE2-OE1 2.84Å; Q367-E371 WeakPolarHBondContact O-CG 3.39Å; Q367-E371 PolarHBondContact O-N 3.03Å
368H94.8Very high96.1Very high84 Ų8454.7 Ų54.739%0.38927%0.274SS..Hα-helixtrans-64.6-29.1-17775.8-98.5000112E318 I366 S372E318-H368 IonicContact OE1-CE1 2.78Å; E318-H368 PolarHBondContact OE1-CE1 2.69Å; E318-H368 IonicContact OE1-NE2 3.03Å; I366-H368 WeakPolarHBondContact CG2-CE1 3.49Å; I366-H368 WeakPolarHBondContact CG2-ND1 3.42Å; I366-H368 PolarHBondContact O-N 2.9Å; H368-S372 VanDerWaalsContact O-CB 3.28Å; H368-S372 WeakPolarHBondContact O-CB 3.37Å; H368-S372 PolarHBondContact O-N 3.38Å
369L96.2Very high96.2Very high0 Ų055 Ų550%028%0.278CS..Hα-helixtrans-68.9-41.9172.8-65.4-174000111.6E318 L321 L322 L325 I366 Q367 E371 S372 G373E318-L369 HydrophobicContact CG-CD1 4.22Å; L321-L369 HydrophobicContact CB-CD1 3.99Å; L321-L369 HydrophobicContact CD1-CD1 3.91Å; L322-L369 HydrophobicContact CD2-CD2 3.32Å; L322-L369 HydrophobicContact CG-CD2 3.64Å; L325-L369 HydrophobicContact CD1-CD2 4.43Å; I366-L369 HydrophobicContact CB-CB 4.31Å; I366-L369 HydrophobicContact CB-CD1 3.95Å; I366-L369 HydrophobicContact CB-CG 4.02Å; I366-L369 HydrophobicContact CD1-CD1 3.73Å; I366-L369 HydrophobicContact CG1-CD1 4.43Å; I366-L369 HydrophobicContact CG2-CB 4.37Å; I366-L369 HydrophobicContact CG2-CD1 4.18Å; I366-L369 HydrophobicContact CG2-CG 3.84Å; I366-L369 PolarHBondContact O-N 3.37Å; Q367-L369 PolarHBondContact O-N 3.29Å; L369-E371 VanDerWaalsContact C-N 3.34Å; L369-S372 PolarHBondContact O-N 2.91Å; L369-G373 PolarHBondContact O-N 3.08Å
370R96.9Very high96.4Very high79 Ų7951.2 Ų51.230%0.29826%0.26SS..Hα-helixtrans-61.4-43.9174.1-63.8-165.9-61.4-88.90.3111.4V360 L361 C364 P365 I366 Q367 G373 L374V360-R370 WeakPolarHBondContact O-CG 3.24Å; L361-R370 WeakPolarHBondContact CD2-O 3.25Å; L361-R370 VanDerWaalsContact O-CD 3.3Å; L361-R370 WeakPolarHBondContact O-CD 3.4Å; C364-R370 HydrophobicContact CB-CG 4.17Å; C364-R370 WeakPolarHBondContact O-CD 3.29Å; C364-R370 PolarHBondContact O-NH1 2.74Å; P365-R370 PolarHBondContact O-NH1 3.48Å; I366-R370 PolarHBondContact O-N 3.42Å; Q367-R370 WeakPolarHBondContact O-CB 3.16Å; Q367-R370 PolarHBondContact O-N 3.42Å; Q367-R370 VanDerWaalsContact O-N 3.08Å; R370-G373 PolarHBondContact O-N 2.91Å; R370-L374 PolarHBondContact O-N 2.74Å
371E96.7Very high96.5Very high93 Ų9350.9 Ų50.944%0.43526%0.258SS..Hα-helixtrans-65-44177.9-70.7175.7-171.200112.5Q367 L369 L374 K375Q367-E371 HydrophobicContact CG-CG 4.38Å; Q367-E371 WeakPolarHBondContact CG-OE1 3.17Å; Q367-E371 PolarHBondContact NE2-OE1 2.84Å; Q367-E371 WeakPolarHBondContact O-CG 3.39Å; Q367-E371 PolarHBondContact O-N 3.03Å; L369-E371 VanDerWaalsContact C-N 3.34Å; E371-L374 PolarHBondContact O-N 2.95Å; E371-K375 WeakPolarHBondContact O-CG 3.4Å; E371-K375 PolarHBondContact O-N 2.71Å
372S97.2Very high96.5Very high43 Ų4352.2 Ų52.230%0.30127%0.266SS..Hα-helixtrans-63.3-45174.3-173.20000111.1H368 L369 L374 K375 V376H368-S372 VanDerWaalsContact O-CB 3.28Å; H368-S372 WeakPolarHBondContact O-CB 3.37Å; H368-S372 PolarHBondContact O-N 3.38Å; L369-S372 PolarHBondContact O-N 2.91Å; S372-L374 VanDerWaalsContact C-N 3.3Å; S372-L374 PolarHBondContact O-N 2.85Å; S372-K375 WeakPolarHBondContact O-CB 3.35Å; S372-K375 PolarHBondContact O-N 2.98Å; S372-K375 VanDerWaalsContact O-N 3.15Å; S372-V376 WeakPolarHBondContact O-CG2 3.34Å; S372-V376 PolarHBondContact O-N 3.48Å
373G97.8Very high96.7Very high0 Ų051.5 Ų51.50%026%0.26CS..Hα-helixtrans-56.5-42.1175.800000112.5L361 L369 R370 K375 V376 F377L361-G373 VanDerWaalsContact CD2-C 3.49Å; L369-G373 PolarHBondContact O-N 3.08Å; R370-G373 PolarHBondContact O-N 2.91Å; G373-K375 VanDerWaalsContact C-N 3.32Å; G373-K375 PolarHBondContact O-N 3.39Å; G373-V376 PolarHBondContact O-N 3.02Å; G373-F377 WeakPolarHBondContact O-CB 3.09Å; G373-F377 PolarHBondContact O-N 3.5Å
374L97.6Very high96.9Very high67 Ų6746.1 Ų46.135%0.35123%0.231SC..Hα-helixtrans-66.1-37.4-179.7-173.463.2000111.4L361 R370 E371 S372 F377 Q378 Y408L361-L374 HydrophobicContact CD1-CD1 4.29Å; L361-L374 HydrophobicContact CD2-CB 3.99Å; L361-L374 VanDerWaalsContact CD2-N 3.27Å; R370-L374 PolarHBondContact O-N 2.74Å; E371-L374 PolarHBondContact O-N 2.95Å; S372-L374 VanDerWaalsContact C-N 3.3Å; S372-L374 PolarHBondContact O-N 2.85Å; L374-F377 PolarHBondContact O-N 3.14Å; L374-Q378 PolarHBondContact O-N 3.11Å; L374-Y408 HydrophobicContact CD1-CD1 4.22Å; L374-Y408 HydrophobicContact CD1-CD2 4.24Å; L374-Y408 HydrophobicContact CD1-CE1 3.9Å; L374-Y408 HydrophobicContact CD1-CE2 3.93Å; L374-Y408 HydrophobicContact CD1-CG 4.36Å; L374-Y408 HydrophobicContact CD2-CE2 4.37Å; L374-Y408 HydrophobicContact CG-CE2 4.39Å
375K98.1Very high97Very high154 Ų15447.4 Ų47.467%0.6724%0.237SC*.Hα-helixtrans-62.9-45.3174.3-65.9170.7-174.4173.50111.2E371 S372 G373 F377 Q378 L379E371-K375 WeakPolarHBondContact O-CG 3.4Å; E371-K375 PolarHBondContact O-N 2.71Å; S372-K375 WeakPolarHBondContact O-CB 3.35Å; S372-K375 PolarHBondContact O-N 2.98Å; S372-K375 VanDerWaalsContact O-N 3.15Å; G373-K375 VanDerWaalsContact C-N 3.32Å; G373-K375 PolarHBondContact O-N 3.39Å; K375-F377 VanDerWaalsContact C-N 3.35Å; K375-Q378 PolarHBondContact O-N 3.24Å; K375-L379 WeakPolarHBondContact O-CB 3.16Å; K375-L379 PolarHBondContact O-N 3.2Å
376V98.4Very high97Very high6 Ų643.2 Ų43.24%0.03621%0.212CC..Hα-helixtrans-65-40.2176.9177.50000111.1L325 F328 A329 L357 S372 G373 Q378 L379 F380L325-V376 HydrophobicContact CD2-CB 4.41Å; L325-V376 HydrophobicContact CD2-CG2 4.33Å; F328-V376 HydrophobicContact CB-CG1 3.87Å; F328-V376 HydrophobicContact CD1-CG1 3.53Å; F328-V376 HydrophobicContact CD2-CG1 4.43Å; F328-V376 HydrophobicContact CE1-CG1 4.2Å; F328-V376 HydrophobicContact CG-CG1 3.66Å; A329-V376 HydrophobicContact CB-CG2 4.01Å; L357-V376 HydrophobicContact CD2-CB 4.41Å; L357-V376 HydrophobicContact CD2-CG1 4.09Å; S372-V376 WeakPolarHBondContact O-CG2 3.34Å; S372-V376 PolarHBondContact O-N 3.48Å; G373-V376 PolarHBondContact O-N 3.02Å; V376-Q378 PolarHBondContact O-N 3.2Å; V376-L379 WeakPolarHBondContact O-CB 3.38Å; V376-L379 PolarHBondContact O-N 2.92Å; V376-F380 PolarHBondContact O-N 2.75Å
377F98.1Very high97Very high1 Ų143.7 Ų43.70%0.00421%0.213CC..Hα-helixtrans-60.7-46177.6-168.7-109.7000111.4L357 L361 G373 L374 K375 F380 I381 F392 M396 Y408 I409L357-F377 HydrophobicContact CD2-CB 3.87Å; L357-F377 HydrophobicContact CD2-CD2 3.85Å; L357-F377 HydrophobicContact CD2-CG 4.38Å; L357-F377 HydrophobicContact CG-CB 4.36Å; L357-F377 HydrophobicContact CG-CD2 4.12Å; L361-F377 HydrophobicContact CD1-CB 4.34Å; L361-F377 HydrophobicContact CD1-CD1 4.35Å; L361-F377 HydrophobicContact CD1-CG 4.17Å; G373-F377 WeakPolarHBondContact O-CB 3.09Å; G373-F377 PolarHBondContact O-N 3.5Å; L374-F377 PolarHBondContact O-N 3.14Å; K375-F377 VanDerWaalsContact C-N 3.35Å; F377-F380 PolarHBondContact O-N 2.79Å; F377-I381 HydrophobicContact CD1-CD1 3.85Å; F377-I381 HydrophobicContact CE1-CD1 3.7Å; F377-I381 HydrophobicContact CZ-CD1 4.36Å; F377-I381 WeakPolarHBondContact O-CG1 3.47Å; F377-I381 PolarHBondContact O-N 3.47Å; F377-F392 HydrophobicContact CE2-CE1 4.31Å; F377-F392 AromaticContact CE2-CZ 3.72Å; F377-F392 HydrophobicContact CE2-CZ 3.72Å; F377-F392 AromaticContact CZ-CE1 3.98Å; F377-F392 HydrophobicContact CZ-CE1 3.98Å; F377-F392 AromaticContact CZ-CZ 3.8Å; F377-F392 HydrophobicContact CZ-CZ 3.8Å; F377-M396 HydrophobicContact CE2-SD 4.4Å; F377-M396 HydrophobicContact CZ-CG 4.4Å; F377-M396 HydrophobicContact CZ-SD 4.16Å; F377-Y408 HydrophobicContact CD1-CD1 4.19Å; F377-Y408 HydrophobicContact CD1-CE1 4.1Å; F377-Y408 HydrophobicContact CE1-CD1 4.24Å; F377-I409 HydrophobicContact CE1-CD1 3.8Å; F377-I409 HydrophobicContact CZ-CD1 3.97Å
378Q98Very high97Very high39 Ų3938 Ų3818%0.18219%0.187CC..Hα-helixtrans-66.5-39.6174.9-171.358.455.800112.3L374 K375 V376 F380 I381 N382 Y408 N412L374-Q378 PolarHBondContact O-N 3.11Å; K375-Q378 PolarHBondContact O-N 3.24Å; V376-Q378 PolarHBondContact O-N 3.2Å; Q378-F380 VanDerWaalsContact C-N 3.32Å; Q378-F380 PolarHBondContact O-N 3.17Å; Q378-I381 PolarHBondContact O-N 2.96Å; Q378-N382 PolarHBondContact NE2-OD1 2.94Å; Q378-N382 PolarHBondContact O-N 3.08Å; Q378-N382 PolarHBondContact O-ND2 2.9Å; Q378-N382 PolarHBondContact O-OD1 2.86Å; Q378-Y408 WeakPolarHBondContact CB-OH 3.33Å; Q378-Y408 VanDerWaalsContact OE1-CE1 3.25Å; Q378-Y408 VanDerWaalsContact OE1-CZ 3.28Å; Q378-Y408 PolarHBondContact OE1-OH 3.31Å; Q378-N412 PolarHBondContact NE2-OD1 2.72Å; Q378-N412 PolarHBondContact OE1-ND2 3.08Å; Q378-N412 PolarHBondContact OE1-OD1 3.41Å; Q378-N412 VanDerWaalsContact OE1-OD1 3.12Å
379L98.2Very high97.1Very high44 Ų4434 Ų3423%0.2317%0.168CC..Hα-helixtrans-58.7-46.1175.9-178.263.7000110.6L332 K375 V376 N382 K383L332-L379 HydrophobicContact CB-CD2 3.74Å; L332-L379 HydrophobicContact CB-CG 3.95Å; L332-L379 HydrophobicContact CD1-CB 4.49Å; L332-L379 HydrophobicContact CD1-CD2 4.19Å; L332-L379 HydrophobicContact CD1-CG 4.11Å; K375-L379 WeakPolarHBondContact O-CB 3.16Å; K375-L379 PolarHBondContact O-N 3.2Å; V376-L379 WeakPolarHBondContact O-CB 3.38Å; V376-L379 PolarHBondContact O-N 2.92Å; L379-N382 PolarHBondContact O-N 3.49Å; L379-K383 WeakPolarHBondContact O-CG 3.5Å; L379-K383 PolarHBondContact O-N 3.19Å
380F98.2Very high97.2Very high1 Ų134.2 Ų34.20%0.00417%0.169CC..Hα-helixtrans-58.4-49175.6178.8-108.5000111.5F328 L332 L345 F350 P354 V376 F377 Q378 N382 K383 L384 F392F328-F380 AromaticContact CE2-CD2 3.82Å; F328-F380 HydrophobicContact CE2-CD2 3.82Å; F328-F380 HydrophobicContact CE2-CE2 4.44Å; F328-F380 HydrophobicContact CE2-CG 4.44Å; F328-F380 HydrophobicContact CZ-CB 4.22Å; F328-F380 AromaticContact CZ-CD2 3.7Å; F328-F380 HydrophobicContact CZ-CD2 3.7Å; F328-F380 HydrophobicContact CZ-CE2 4.25Å; F328-F380 AromaticContact CZ-CG 3.99Å; F328-F380 HydrophobicContact CZ-CG 3.99Å; L332-F380 HydrophobicContact CD1-CB 3.91Å; L332-F380 HydrophobicContact CD1-CD2 4.35Å; L332-F380 HydrophobicContact CD2-CD2 4.1Å; L345-F380 HydrophobicContact CD2-CZ 4.45Å; F350-F380 HydrophobicContact CD1-CE2 4.23Å; F350-F380 HydrophobicContact CD1-CZ 4.35Å; F350-F380 HydrophobicContact CE1-CE2 4.45Å; P354-F380 HydrophobicContact CB-CE1 4.41Å; P354-F380 HydrophobicContact CG-CD1 4.31Å; P354-F380 HydrophobicContact CG-CE1 3.71Å; P354-F380 HydrophobicContact CG-CZ 3.97Å; V376-F380 PolarHBondContact O-N 2.75Å; F377-F380 PolarHBondContact O-N 2.79Å; Q378-F380 VanDerWaalsContact C-N 3.32Å; Q378-F380 PolarHBondContact O-N 3.17Å; F380-N382 VanDerWaalsContact C-N 3.27Å; F380-N382 PolarHBondContact O-N 3.26Å; F380-K383 PolarHBondContact O-N 3.04Å; F380-K383 VanDerWaalsContact O-N 3.09Å; F380-L384 HydrophobicContact CD1-CD1 4.36Å; F380-L384 HydrophobicContact CE1-CD1 3.92Å; F380-L384 HydrophobicContact CE1-CD2 4.28Å; F380-L384 HydrophobicContact CE1-CG 4.33Å; F380-L384 HydrophobicContact CE2-CD2 4.24Å; F380-L384 HydrophobicContact CZ-CD1 4.38Å; F380-L384 HydrophobicContact CZ-CD2 3.9Å; F380-L384 HydrophobicContact CZ-CG 4.42Å; F380-L384 PolarHBondContact O-N 3.34Å; F380-F392 HydrophobicContact CD1-CE2 4.27Å; F380-F392 HydrophobicContact CD1-CZ 4.22Å; F380-F392 HydrophobicContact CE1-CD2 4.06Å; F380-F392 AromaticContact CE1-CE2 3.72Å; F380-F392 HydrophobicContact CE1-CE2 3.72Å; F380-F392 HydrophobicContact CE1-CZ 4.13Å
381I97.9Very high97.1Very high0 Ų034.6 Ų34.60%017%0.173CC..Hα-helixtrans-55.6-43.2176.6-69.7167.4000111.1F377 Q378 K383 L384 K389 F392 F393 I409F377-I381 HydrophobicContact CD1-CD1 3.85Å; F377-I381 HydrophobicContact CE1-CD1 3.7Å; F377-I381 HydrophobicContact CZ-CD1 4.36Å; F377-I381 WeakPolarHBondContact O-CG1 3.47Å; F377-I381 PolarHBondContact O-N 3.47Å; Q378-I381 PolarHBondContact O-N 2.96Å; I381-K383 VanDerWaalsContact C-N 3.26Å; I381-K383 PolarHBondContact O-N 3.01Å; I381-L384 PolarHBondContact O-N 3.07Å; I381-K389 HydrophobicContact CG2-CD 4.41Å; I381-K389 WeakPolarHBondContact O-CE 3.37Å; I381-F392 HydrophobicContact CD1-CE1 4.09Å; I381-F392 HydrophobicContact CG1-CD1 4.2Å; I381-F392 HydrophobicContact CG1-CE1 3.71Å; I381-F393 HydrophobicContact CD1-CE1 4.26Å; I381-F393 HydrophobicContact CG1-CE1 4.3Å; I381-F393 HydrophobicContact CG2-CE1 3.79Å; I381-F393 HydrophobicContact CG2-CZ 3.82Å; I381-I409 HydrophobicContact CD1-CD1 4.18Å
382N97.6Very high97.1Very high53 Ų5330.7 Ų30.728%0.28316%0.155SC..Hα-helixtrans-63.5-31.4-179.2-66.8-11.6000112.8N338 Q378 L379 F380N338-N382 PolarHBondContact N-O 3.38Å; Q378-N382 PolarHBondContact NE2-OD1 2.94Å; Q378-N382 PolarHBondContact O-N 3.08Å; Q378-N382 PolarHBondContact O-ND2 2.9Å; Q378-N382 PolarHBondContact O-OD1 2.86Å; L379-N382 PolarHBondContact O-N 3.49Å; F380-N382 VanDerWaalsContact C-N 3.27Å; F380-N382 PolarHBondContact O-N 3.26Å
383K97.7Very high97.2Very high16 Ų1628.6 Ų28.67%0.0714%0.14CC..Hα-helixtrans-76.1-26.1179.1-58.9-44.5176.5176.90113.6L332 V335 D337 N338 S339 L340 L379 F380 I381L332-K383 HydrophobicContact CB-CG 4.38Å; L332-K383 HydrophobicContact CD2-CB 4.3Å; L332-K383 HydrophobicContact CD2-CG 3.88Å; L332-K383 VanDerWaalsContact O-CE 3.24Å; L332-K383 WeakPolarHBondContact O-CE 3.49Å; V335-K383 HydrophobicContact CB-CD 4.2Å; V335-K383 HydrophobicContact CB-CG 4.27Å; V335-K383 HydrophobicContact CG1-CB 4.14Å; V335-K383 HydrophobicContact CG1-CD 4.26Å; V335-K383 HydrophobicContact CG1-CG 4.22Å; V335-K383 WeakPolarHBondContact O-CD 3.41Å; V335-K383 VanDerWaalsContact O-CE 3.23Å; V335-K383 WeakPolarHBondContact O-CE 3.36Å; V335-K383 PolarHBondContact O-NZ 3.46Å; D337-K383 VanDerWaalsContact OD1-CD 3.3Å; D337-K383 WeakPolarHBondContact OD1-CD 3.44Å; D337-K383 WeakPolarHBondContact OD1-CE 3.36Å; D337-K383 IonicContact OD1-NZ 2.87Å; D337-K383 PolarHBondContact OD1-NZ 3.43Å; N338-K383 CarbonylContact C-O 3.58Å; N338-K383 PolarHBondContact N-O 3.24Å; S339-K383 PolarHBondContact N-O 3.06Å; L340-K383 WeakPolarHBondContact CB-O 3.48Å; L340-K383 HydrophobicContact CD1-CB 3.53Å; L340-K383 HydrophobicContact CG-CB 3.94Å; L340-K383 PolarHBondContact N-O 3.46Å; L379-K383 WeakPolarHBondContact O-CG 3.5Å; L379-K383 PolarHBondContact O-N 3.19Å; F380-K383 PolarHBondContact O-N 3.04Å; F380-K383 VanDerWaalsContact O-N 3.09Å; I381-K383 VanDerWaalsContact C-N 3.26Å; I381-K383 PolarHBondContact O-N 3.01Å
384L97.4Very high97.1Very high2 Ų232.8 Ų32.81%0.0116%0.156CC..BIsolated β-bridgetrans-63.7136.4178.1-63.7-179.4000111.8N338 L340 L345 F380 I381 A388 K389 F392N338-L384 WeakPolarHBondContact CA-O 3.31Å; L340-L384 HydrophobicContact CB-CD2 4.14Å; L340-L384 HydrophobicContact CD1-CD2 4.25Å; L345-L384 HydrophobicContact CD2-CD2 4.12Å; F380-L384 HydrophobicContact CD1-CD1 4.36Å; F380-L384 HydrophobicContact CE1-CD1 3.92Å; F380-L384 HydrophobicContact CE1-CD2 4.28Å; F380-L384 HydrophobicContact CE1-CG 4.33Å; F380-L384 HydrophobicContact CE2-CD2 4.24Å; F380-L384 HydrophobicContact CZ-CD1 4.38Å; F380-L384 HydrophobicContact CZ-CD2 3.9Å; F380-L384 HydrophobicContact CZ-CG 4.42Å; F380-L384 PolarHBondContact O-N 3.34Å; I381-L384 PolarHBondContact O-N 3.07Å; L384-A388 HydrophobicContact CB-CB 3.95Å; L384-A388 HydrophobicContact CD2-CB 4.08Å; L384-A388 HydrophobicContact CG-CB 4.44Å; L384-K389 HydrophobicContact CB-CG 3.63Å; L384-K389 WeakPolarHBondContact O-CE 3.5Å; L384-K389 PolarHBondContact O-NZ 2.99Å; L384-F392 HydrophobicContact CD1-CB 3.79Å; L384-F392 HydrophobicContact CD1-CD1 4.12Å; L384-F392 HydrophobicContact CD1-CD2 4.33Å; L384-F392 HydrophobicContact CD1-CG 3.82Å
385D95.3Very high97Very high39 Ų3931.2 Ų31.221%0.20915%0.15CC..  trans-65.5178.7169.178.511.5000111.9N338 L340 P341 E387 A388 K389N338-D385 WeakPolarHBondContact O-CB 3.39Å; L340-D385 WeakPolarHBondContact O-CB 3Å; L340-D385 PolarHBondContact O-N 3.06Å; P341-D385 WeakPolarHBondContact CA-OD2 3.27Å; D385-E387 PolarHBondContact OD1-N 3.47Å; D385-E387 VanDerWaalsContact OD1-N 3.14Å; D385-A388 WeakPolarHBondContact OD1-CB 3.37Å; D385-A388 PolarHBondContact OD1-N 3.17Å; D385-K389 WeakPolarHBondContact O-CB 3.41Å; D385-K389 VanDerWaalsContact O-CG 3.3Å; D385-K389 WeakPolarHBondContact O-CG 3.49Å; D385-K389 PolarHBondContact O-N 2.92Å
386A94.3Very high96.9Very high25 Ų2524 Ų2421%0.20712%0.119CC..Hα-helixtrans-59.9-47.5-176.900000114H390 N427 W429 F430A386-H390 PolarHBondContact O-N 3.32Å; A386-H390 VanDerWaalsContact O-N 3.11Å; A386-N427 WeakPolarHBondContact CB-ND2 3.3Å; A386-N427 VanDerWaalsContact CB-OD1 3.29Å; A386-N427 WeakPolarHBondContact CB-OD1 3.37Å; A386-W429 HydrophobicContact CB-CB 4.46Å; A386-W429 HydrophobicContact CB-CG 4.44Å; A386-F430 WeakPolarHBondContact O-CE2 3.44Å
387E95.1Very high96.7Very high52 Ų5224.2 Ų24.224%0.24312%0.12CC..Hα-helixtrans-67.8-43.7-178.8-176.5177.5161.100110.8V342 D385 K389 H390 K391 W429V342-E387 HydrophobicContact CB-CB 4.19Å; V342-E387 HydrophobicContact CB-CG 3.92Å; V342-E387 HydrophobicContact CG1-CG 4.21Å; V342-E387 HydrophobicContact CG2-CG 3.81Å; D385-E387 PolarHBondContact OD1-N 3.47Å; D385-E387 VanDerWaalsContact OD1-N 3.14Å; E387-K389 PolarHBondContact O-N 3.32Å; E387-H390 WeakPolarHBondContact O-CB 3.44Å; E387-H390 PolarHBondContact O-N 3.1Å; E387-K391 PolarHBondContact O-N 3.07Å; E387-K391 WeakPolarHBondContact OE1-CE 3.23Å; E387-K391 IonicContact OE1-NZ 3.62Å; E387-K391 PolarHBondContact OE1-NZ 2.98Å; E387-W429 HydrophobicContact CB-CD2 4.08Å; E387-W429 HydrophobicContact CB-CG 4.41Å; E387-W429 HydrophobicContact CB-CZ2 3.81Å; E387-W429 HydrophobicContact CG-CD2 4.11Å; E387-W429 HydrophobicContact CG-CE3 4.41Å; E387-W429 HydrophobicContact CG-CH2 3.66Å; E387-W429 HydrophobicContact CG-CZ2 3.29Å; E387-W429 HydrophobicContact CG-CZ3 4.21Å; E387-W429 WeakPolarHBondContact OE2-CZ2 3.47Å
388A96.4Very high96.5Very high0 Ų029.4 Ų29.40%014%0.142CC..Hα-helixtrans-61.4-45178.300000110.9V342 L345 L384 D385 H390 K391 F392V342-A388 HydrophobicContact CB-CB 4.24Å; L345-A388 HydrophobicContact CD1-CB 3.94Å; L345-A388 WeakPolarHBondContact CD1-O 3.47Å; L345-A388 HydrophobicContact CG-CB 4.45Å; L384-A388 HydrophobicContact CB-CB 3.95Å; L384-A388 HydrophobicContact CD2-CB 4.08Å; L384-A388 HydrophobicContact CG-CB 4.44Å; D385-A388 WeakPolarHBondContact OD1-CB 3.37Å; D385-A388 PolarHBondContact OD1-N 3.17Å; A388-H390 VanDerWaalsContact C-N 3.33Å; A388-H390 PolarHBondContact O-N 3.42Å; A388-K391 PolarHBondContact O-N 2.89Å; A388-F392 WeakPolarHBondContact O-CB 3.5Å; A388-F392 PolarHBondContact O-N 3.42Å
389K96.9Very high96.2Very high1 Ų129.5 Ų29.50%0.00415%0.146CC..Hα-helixtrans-58-45.9173.5-76.4-169.1-164.985.20111.3N338 I381 L384 D385 E387 F392 F393 Q416 F430N338-K389 PolarHBondContact OD1-NZ 3.1Å; I381-K389 HydrophobicContact CG2-CD 4.41Å; I381-K389 WeakPolarHBondContact O-CE 3.37Å; L384-K389 HydrophobicContact CB-CG 3.63Å; L384-K389 WeakPolarHBondContact O-CE 3.5Å; L384-K389 PolarHBondContact O-NZ 2.99Å; D385-K389 WeakPolarHBondContact O-CB 3.41Å; D385-K389 VanDerWaalsContact O-CG 3.3Å; D385-K389 WeakPolarHBondContact O-CG 3.49Å; D385-K389 PolarHBondContact O-N 2.92Å; E387-K389 PolarHBondContact O-N 3.32Å; K389-F392 PolarHBondContact O-N 3.09Å; K389-F393 HydrophobicContact CB-CD2 4.44Å; K389-F393 HydrophobicContact CB-CE2 3.92Å; K389-F393 HydrophobicContact CB-CZ 4.02Å; K389-F393 HydrophobicContact CD-CE2 4.42Å; K389-F393 HydrophobicContact CD-CZ 4.14Å; K389-F393 HydrophobicContact CG-CZ 4.26Å; K389-F393 WeakPolarHBondContact O-CB 3.46Å; K389-F393 WeakPolarHBondContact O-CD1 3.42Å; K389-F393 VanDerWaalsContact O-CD2 3.23Å; K389-F393 WeakPolarHBondContact O-CD2 3.42Å; K389-F393 WeakPolarHBondContact O-CG 3.28Å; K389-F393 PolarHBondContact O-N 3.38Å; K389-Q416 VanDerWaalsContact CD-CD 3.45Å; K389-Q416 HydrophobicContact CD-CG 3.91Å; K389-F430 HydrophobicContact CB-CE2 4.11Å; K389-F430 HydrophobicContact CB-CZ 3.76Å
390H96.6Very high95.8Very high3 Ų327.4 Ų27.41%0.01414%0.135CC..Hα-helixtrans-58.7-52.8-179.9-178.7-83.8000111.9A386 E387 A388 F392 F393 R394 W429 F430 E434 L438A386-H390 PolarHBondContact O-N 3.32Å; A386-H390 VanDerWaalsContact O-N 3.11Å; E387-H390 WeakPolarHBondContact O-CB 3.44Å; E387-H390 PolarHBondContact O-N 3.1Å; A388-H390 VanDerWaalsContact C-N 3.33Å; A388-H390 PolarHBondContact O-N 3.42Å; H390-F392 VanDerWaalsContact C-N 3.34Å; H390-F392 PolarHBondContact O-N 3.12Å; H390-F393 PolarHBondContact O-N 3.44Å; H390-R394 VanDerWaalsContact CE1-CD 3.46Å; H390-R394 WeakPolarHBondContact CE1-CD 3.12Å; H390-R394 WeakPolarHBondContact O-CG 3.46Å; H390-R394 PolarHBondContact O-N 2.92Å; H390-W429 HydrophobicContact CB-CB 4.23Å; H390-W429 HydrophobicContact CB-CE3 4.12Å; H390-W429 PolarHBondContact CD2-O 2.75Å; H390-W429 AromaticContact CG-CE3 3.88Å; H390-W429 AromaticContact ND1-CE3 3.98Å; H390-F430 HydrophobicContact CB-CZ 4.25Å; H390-E434 PolarHBondContact NE2-O 3.15Å; H390-L438 WeakPolarHBondContact CD2-CD1 3.41Å
391K95.9Very high95.4Very high88 Ų8834.9 Ų34.938%0.38317%0.169SC..Hα-helixtrans-62-41.8177.4-72.8-171.4-175.5154.20112V342 L345 E387 A388 R394 C395V342-K391 HydrophobicContact CG2-CD 3.54Å; V342-K391 HydrophobicContact CG2-CG 4.43Å; L345-K391 HydrophobicContact CD1-CB 4.31Å; E387-K391 PolarHBondContact O-N 3.07Å; E387-K391 WeakPolarHBondContact OE1-CE 3.23Å; E387-K391 IonicContact OE1-NZ 3.62Å; E387-K391 PolarHBondContact OE1-NZ 2.98Å; A388-K391 PolarHBondContact O-N 2.89Å; K391-R394 PolarHBondContact O-N 3.31Å; K391-C395 WeakPolarHBondContact O-CB 3.24Å; K391-C395 PolarHBondContact O-N 3.42Å
392F97.2Very high95.1Very high10 Ų1038.8 Ų38.84%0.04419%0.187CC..Hα-helixtrans-60.7-46.6176.8180-101.3000112L345 P354 F377 F380 I381 L384 A388 K389 H390 R394 C395 M396 I409L345-F392 HydrophobicContact CD1-CB 4.33Å; P354-F392 HydrophobicContact CB-CE2 3.72Å; P354-F392 HydrophobicContact CB-CZ 4.18Å; P354-F392 HydrophobicContact CG-CE2 4.17Å; F377-F392 HydrophobicContact CE2-CE1 4.31Å; F377-F392 AromaticContact CE2-CZ 3.72Å; F377-F392 HydrophobicContact CE2-CZ 3.72Å; F377-F392 AromaticContact CZ-CE1 3.98Å; F377-F392 HydrophobicContact CZ-CE1 3.98Å; F377-F392 AromaticContact CZ-CZ 3.8Å; F377-F392 HydrophobicContact CZ-CZ 3.8Å; F380-F392 HydrophobicContact CD1-CE2 4.27Å; F380-F392 HydrophobicContact CD1-CZ 4.22Å; F380-F392 HydrophobicContact CE1-CD2 4.06Å; F380-F392 AromaticContact CE1-CE2 3.72Å; F380-F392 HydrophobicContact CE1-CE2 3.72Å; F380-F392 HydrophobicContact CE1-CZ 4.13Å; I381-F392 HydrophobicContact CD1-CE1 4.09Å; I381-F392 HydrophobicContact CG1-CD1 4.2Å; I381-F392 HydrophobicContact CG1-CE1 3.71Å; L384-F392 HydrophobicContact CD1-CB 3.79Å; L384-F392 HydrophobicContact CD1-CD1 4.12Å; L384-F392 HydrophobicContact CD1-CD2 4.33Å; L384-F392 HydrophobicContact CD1-CG 3.82Å; A388-F392 WeakPolarHBondContact O-CB 3.5Å; A388-F392 PolarHBondContact O-N 3.42Å; K389-F392 PolarHBondContact O-N 3.09Å; H390-F392 VanDerWaalsContact C-N 3.34Å; H390-F392 PolarHBondContact O-N 3.12Å; F392-R394 PolarHBondContact O-N 3.45Å; F392-C395 WeakPolarHBondContact O-CB 3.05Å; F392-C395 PolarHBondContact O-N 2.85Å; F392-M396 HydrophobicContact CD1-CG 4.17Å; F392-M396 HydrophobicContact CD2-CE 4.27Å; F392-M396 HydrophobicContact CD2-CG 4.48Å; F392-M396 HydrophobicContact CE1-CG 3.72Å; F392-M396 HydrophobicContact CE2-CE 3.61Å; F392-M396 HydrophobicContact CE2-CG 4.07Å; F392-M396 HydrophobicContact CE2-SD 4.28Å; F392-M396 HydrophobicContact CZ-CE 3.93Å; F392-M396 HydrophobicContact CZ-CG 3.67Å; F392-M396 HydrophobicContact CZ-SD 3.98Å; F392-M396 WeakPolarHBondContact O-CG 3.46Å; F392-M396 PolarHBondContact O-N 2.97Å; F392-I409 HydrophobicContact CE1-CD1 4.25Å
393F97.6Very high94.9Very high0 Ų036.8 Ų36.80%018%0.178CC..Hα-helixtrans-63.4-42.5177.5-62.7-22.9000112I381 K389 H390 C395 M396 L397 I409 N412 I413 Q416 F430 L438I381-F393 HydrophobicContact CD1-CE1 4.26Å; I381-F393 HydrophobicContact CG1-CE1 4.3Å; I381-F393 HydrophobicContact CG2-CE1 3.79Å; I381-F393 HydrophobicContact CG2-CZ 3.82Å; K389-F393 HydrophobicContact CB-CD2 4.44Å; K389-F393 HydrophobicContact CB-CE2 3.92Å; K389-F393 HydrophobicContact CB-CZ 4.02Å; K389-F393 HydrophobicContact CD-CE2 4.42Å; K389-F393 HydrophobicContact CD-CZ 4.14Å; K389-F393 HydrophobicContact CG-CZ 4.26Å; K389-F393 WeakPolarHBondContact O-CB 3.46Å; K389-F393 WeakPolarHBondContact O-CD1 3.42Å; K389-F393 VanDerWaalsContact O-CD2 3.23Å; K389-F393 WeakPolarHBondContact O-CD2 3.42Å; K389-F393 WeakPolarHBondContact O-CG 3.28Å; K389-F393 PolarHBondContact O-N 3.38Å; H390-F393 PolarHBondContact O-N 3.44Å; F393-C395 VanDerWaalsContact C-N 3.29Å; F393-C395 PolarHBondContact O-N 3.03Å; F393-M396 PolarHBondContact O-N 3.11Å; F393-L397 WeakPolarHBondContact O-CB 3.2Å; F393-L397 VanDerWaalsContact O-CG 3.31Å; F393-L397 WeakPolarHBondContact O-CG 3.37Å; F393-L397 PolarHBondContact O-N 3.17Å; F393-I409 HydrophobicContact CB-CG2 3.75Å; F393-I409 HydrophobicContact CD1-CD1 4.06Å; F393-I409 HydrophobicContact CD1-CG2 3.78Å; F393-I409 HydrophobicContact CE1-CD1 4.41Å; F393-I409 HydrophobicContact CG-CG2 3.91Å; F393-N412 HydrophobicContact CE1-CB 4.06Å; F393-N412 HydrophobicContact CE2-CB 4.5Å; F393-N412 HydrophobicContact CZ-CB 3.8Å; F393-I413 HydrophobicContact CB-CD1 4.17Å; F393-I413 HydrophobicContact CB-CG1 4.15Å; F393-I413 HydrophobicContact CD2-CD1 4.37Å; F393-I413 HydrophobicContact CD2-CG1 3.46Å; F393-I413 VanDerWaalsContact CD2-CG1 3.46Å; F393-I413 HydrophobicContact CE2-CG1 4.02Å; F393-I413 HydrophobicContact CG-CD1 4.49Å; F393-I413 HydrophobicContact CG-CG1 3.96Å; F393-Q416 HydrophobicContact CE2-CG 4.02Å; F393-Q416 HydrophobicContact CZ-CG 4.43Å; F393-F430 AromaticContact CD2-CE1 3.73Å; F393-F430 HydrophobicContact CD2-CE1 3.73Å; F393-F430 AromaticContact CD2-CZ 3.87Å; F393-F430 HydrophobicContact CD2-CZ 3.87Å; F393-F430 AromaticContact CE2-CE1 3.69Å; F393-F430 HydrophobicContact CE2-CE1 3.69Å; F393-F430 AromaticContact CE2-CZ 3.66Å; F393-F430 HydrophobicContact CE2-CZ 3.66Å; F393-L438 HydrophobicContact CB-CD2 4Å
394R96.1Very high94.7Very high87 Ų8737.2 Ų37.233%0.32819%0.187SC..Hα-helixtrans-59.6-41.1173.9-70.3-176.277.5-147.29.4111.9H390 K391 F392 K398 L438 L441H390-R394 VanDerWaalsContact CE1-CD 3.46Å; H390-R394 WeakPolarHBondContact CE1-CD 3.12Å; H390-R394 WeakPolarHBondContact O-CG 3.46Å; H390-R394 PolarHBondContact O-N 2.92Å; K391-R394 PolarHBondContact O-N 3.31Å; F392-R394 PolarHBondContact O-N 3.45Å; R394-K398 VanDerWaalsContact O-CG 3.3Å; R394-K398 WeakPolarHBondContact O-CG 3.39Å; R394-K398 PolarHBondContact O-N 3.17Å; R394-L438 HydrophobicContact CG-CD2 3.46Å; R394-L438 VanDerWaalsContact CG-CD2 3.46Å; R394-L438 HydrophobicContact CG-CG 4.2Å; R394-L441 HydrophobicContact CB-CD1 4.12Å; R394-L441 HydrophobicContact CG-CD1 4.02Å
395C95.3Very high94.7Very high34 Ų3437.6 Ų37.623%0.2319%0.19CC..Hα-helixtrans-62.1-54.1175.6176.90000110.9K391 F392 F393 L397 K398 T399K391-C395 WeakPolarHBondContact O-CB 3.24Å; K391-C395 PolarHBondContact O-N 3.42Å; F392-C395 WeakPolarHBondContact O-CB 3.05Å; F392-C395 PolarHBondContact O-N 2.85Å; F393-C395 VanDerWaalsContact C-N 3.29Å; F393-C395 PolarHBondContact O-N 3.03Å; C395-L397 VanDerWaalsContact C-N 3.34Å; C395-L397 PolarHBondContact O-N 3.01Å; C395-K398 PolarHBondContact O-N 2.98Å; C395-T399 PolarHBondContact O-N 3.47Å; C395-T399 PolarHBondContact O-OG1 3.13Å
396M95.8Very high94.7Very high2 Ų236.4 Ų36.41%0.0118%0.183CC..Hα-helixtrans-59.9-41.3-178.1-68.4-64.6122.600112.6P354 Q355 F377 F392 F393 K398 T399 S400 I409P354-M396 HydrophobicContact CB-CE 4.42Å; Q355-M396 HydrophobicContact CG-CE 4.48Å; F377-M396 HydrophobicContact CE2-SD 4.4Å; F377-M396 HydrophobicContact CZ-CG 4.4Å; F377-M396 HydrophobicContact CZ-SD 4.16Å; F392-M396 HydrophobicContact CD1-CG 4.17Å; F392-M396 HydrophobicContact CD2-CE 4.27Å; F392-M396 HydrophobicContact CD2-CG 4.48Å; F392-M396 HydrophobicContact CE1-CG 3.72Å; F392-M396 HydrophobicContact CE2-CE 3.61Å; F392-M396 HydrophobicContact CE2-CG 4.07Å; F392-M396 HydrophobicContact CE2-SD 4.28Å; F392-M396 HydrophobicContact CZ-CE 3.93Å; F392-M396 HydrophobicContact CZ-CG 3.67Å; F392-M396 HydrophobicContact CZ-SD 3.98Å; F392-M396 WeakPolarHBondContact O-CG 3.46Å; F392-M396 PolarHBondContact O-N 2.97Å; F393-M396 PolarHBondContact O-N 3.11Å; M396-K398 PolarHBondContact O-N 2.75Å; M396-T399 PolarHBondContact O-N 2.87Å; M396-S400 WeakPolarHBondContact O-CB 3.33Å; M396-S400 PolarHBondContact O-N 3.33Å; M396-S400 PolarHBondContact O-OG 3.15Å; M396-I409 HydrophobicContact CB-CD1 4.01Å; M396-I409 HydrophobicContact CB-CG1 3.83Å; M396-I409 HydrophobicContact CG-CD1 4.08Å; M396-I409 HydrophobicContact CG-CG1 4.42Å
397L95.3Very high94.8Very high11 Ų1135.3 Ų35.36%0.05817%0.174CC..Hα-helixtrans-65-23.7176.4-71.5171.8000113.4F393 C395 E406 I409 V410 I413 L441 V442F393-L397 WeakPolarHBondContact O-CB 3.2Å; F393-L397 VanDerWaalsContact O-CG 3.31Å; F393-L397 WeakPolarHBondContact O-CG 3.37Å; F393-L397 PolarHBondContact O-N 3.17Å; C395-L397 VanDerWaalsContact C-N 3.34Å; C395-L397 PolarHBondContact O-N 3.01Å; L397-E406 HydrophobicContact CD2-CB 4.09Å; L397-E406 HydrophobicContact CD2-CG 4.37Å; L397-I409 HydrophobicContact CD1-CG2 4.42Å; L397-I409 HydrophobicContact CD2-CB 4.42Å; L397-I409 HydrophobicContact CD2-CG2 4.2Å; L397-I409 HydrophobicContact CG-CG2 3.97Å; L397-V410 HydrophobicContact CD2-CG2 4.22Å; L397-I413 HydrophobicContact CD1-CD1 3.89Å; L397-L441 HydrophobicContact CB-CB 4.35Å; L397-L441 HydrophobicContact CD1-CB 4.02Å; L397-V442 HydrophobicContact CD1-CG2 3.63Å
398K93.5Very high94.9Very high111 Ų11135.6 Ų35.648%0.48317%0.174SC..Hα-helixtrans-91.6-32.7178.9-73.6179.1177.2-173.40113.6R394 C395 M396 H401 L441R394-K398 VanDerWaalsContact O-CG 3.3Å; R394-K398 WeakPolarHBondContact O-CG 3.39Å; R394-K398 PolarHBondContact O-N 3.17Å; C395-K398 PolarHBondContact O-N 2.98Å; M396-K398 PolarHBondContact O-N 2.75Å; K398-H401 PolarHBondContact O-CE1 3.32Å; K398-H401 VanDerWaalsContact O-CE1 3.26Å; K398-L441 HydrophobicContact CG-CD1 4.35Å; K398-L441 HydrophobicContact CG-CD2 4.05Å
399T92.3Very high95Very high41 Ų4135.6 Ų35.625%0.25217%0.174SC..Hα-helixtrans-110.1-16.5-169.1690000114.4Q355 C395 M396 H401Q355-T399 PolarHBondContact NE2-OG1 3.44Å; Q355-T399 PolarHBondContact OE1-OG1 3.19Å; C395-T399 PolarHBondContact O-N 3.47Å; C395-T399 PolarHBondContact O-OG1 3.13Å; M396-T399 PolarHBondContact O-N 2.87Å; T399-H401 PolarHBondContact O-CD2 3.19Å; T399-H401 VanDerWaalsContact O-CD2 3.29Å
400S89.4Confident95Very high0 Ų035.6 Ų35.60%017%0.173CC..  trans-75-33.8-170.862.10000113.7R358 M396 H402 E406R358-S400 VanDerWaalsContact CD-CA 3.47Å; R358-S400 PolarHBondContact NH1-O 3.27Å; M396-S400 WeakPolarHBondContact O-CB 3.33Å; M396-S400 PolarHBondContact O-N 3.33Å; M396-S400 PolarHBondContact O-OG 3.15Å; S400-H402 PolarHBondContact O-N 3.43Å; S400-E406 WeakPolarHBondContact OG-CG 3.3Å; S400-E406 PolarHBondContact OG-OE1 3.37Å
401H89.1Confident95Very high158 Ų15837.7 Ų37.773%0.73119%0.185SC*.  trans49.131.3178.6-55.2-58000113.5K398 T399 E406K398-H401 PolarHBondContact O-CE1 3.32Å; K398-H401 VanDerWaalsContact O-CE1 3.26Å; T399-H401 PolarHBondContact O-CD2 3.19Å; T399-H401 VanDerWaalsContact O-CD2 3.29Å; H401-E406 WeakPolarHBondContact CA-OE1 3.36Å; H401-E406 PolarHBondContact N-OE1 3.46Å
402H93.3Very high95.1Very high81 Ų8133.8 Ų33.838%0.37517%0.168SC..  trans-138.6110.1-178.1-175.4-78.8000109.7T362 S400 G404 V405 E406T362-H402 HydrophobicContact CG2-CB 3.99Å; T362-H402 VanDerWaalsContact CG2-CD2 3.49Å; T362-H402 WeakPolarHBondContact CG2-CD2 3.17Å; S400-H402 PolarHBondContact O-N 3.43Å; H402-G404 VanDerWaalsContact C-N 3.28Å; H402-G404 PolarHBondContact ND1-N 3.49Å; H402-G404 PolarHBondContact O-N 3.2Å; H402-G404 VanDerWaalsContact O-N 3.14Å; H402-V405 HydrophobicContact CB-CB 4.38Å; H402-V405 HydrophobicContact CB-CG2 4.33Å; H402-V405 PolarHBondContact ND1-N 2.83Å; H402-V405 PolarHBondContact O-N 3.35Å; H402-E406 PolarHBondContact O-N 2.94Å
403A93Very high95.1Very high12 Ų1233.3 Ų33.310%0.09917%0.166CC..Hα-helixtrans-55.9-37.4-170.100000113.9G407 T455 K459A403-G407 PolarHBondContact O-N 2.84Å; A403-T455 WeakPolarHBondContact CB-O 3.4Å; A403-K459 HydrophobicContact CB-CB 4.34Å
404G94.1Very high94.9Very high25 Ų2536 Ų3626%0.25818%0.176SC..Hα-helixtrans-67.6-34.4176.700000113.8H402 Y408H402-G404 VanDerWaalsContact C-N 3.28Å; H402-G404 PolarHBondContact ND1-N 3.49Å; H402-G404 PolarHBondContact O-N 3.2Å; H402-G404 VanDerWaalsContact O-N 3.14Å; G404-Y408 WeakPolarHBondContact O-CB 3.47Å; G404-Y408 PolarHBondContact O-N 2.89Å; G404-Y408 VanDerWaalsContact O-N 3.07Å
405V95.4Very high94.8Very high10 Ų1033.8 Ų33.86%0.06117%0.174CC..Hα-helixtrans-76.3-43.9177.1174.70000109.1R358 T362 H402 G407 Y408 I409R358-V405 HydrophobicContact CG-CG1 4.34Å; R358-V405 HydrophobicContact CG-CG2 4.43Å; T362-V405 HydrophobicContact CG2-CG2 3.89Å; H402-V405 HydrophobicContact CB-CB 4.38Å; H402-V405 HydrophobicContact CB-CG2 4.33Å; H402-V405 PolarHBondContact ND1-N 2.83Å; H402-V405 PolarHBondContact O-N 3.35Å; V405-G407 VanDerWaalsContact C-N 3.34Å; V405-G407 PolarHBondContact O-N 2.85Å; V405-Y408 WeakPolarHBondContact O-CB 3.48Å; V405-Y408 PolarHBondContact O-N 2.9Å; V405-Y408 VanDerWaalsContact O-N 3.13Å; V405-I409 WeakPolarHBondContact O-CG1 3.41Å; V405-I409 PolarHBondContact O-N 3.36Å
406E96.1Very high94.7Very high13 Ų1333.4 Ų33.46%0.06117%0.169CC..Hα-helixtrans-58.4-46.1174.7-66-178.6-160.100111.1L397 S400 H401 H402 Y408 I409 V410 K459L397-E406 HydrophobicContact CD2-CB 4.09Å; L397-E406 HydrophobicContact CD2-CG 4.37Å; S400-E406 WeakPolarHBondContact OG-CG 3.3Å; S400-E406 PolarHBondContact OG-OE1 3.37Å; H401-E406 WeakPolarHBondContact CA-OE1 3.36Å; H401-E406 PolarHBondContact N-OE1 3.46Å; H402-E406 PolarHBondContact O-N 2.94Å; E406-Y408 VanDerWaalsContact C-N 3.31Å; E406-Y408 PolarHBondContact O-N 2.7Å; E406-I409 WeakPolarHBondContact O-CB 3.38Å; E406-I409 PolarHBondContact O-N 2.69Å; E406-I409 VanDerWaalsContact O-N 3.12Å; E406-V410 VanDerWaalsContact O-CG2 3.3Å; E406-V410 WeakPolarHBondContact O-CG2 3.42Å; E406-V410 PolarHBondContact O-N 3.07Å; E406-K459 HydrophobicContact CB-CB 4.43Å; E406-K459 HydrophobicContact CB-CD 4.09Å; E406-K459 HydrophobicContact CB-CG 4.14Å; E406-K459 WeakPolarHBondContact OE2-CD 3.43Å; E406-K459 WeakPolarHBondContact OE2-CE 3.46Å; E406-K459 IonicContact OE2-NZ 2.97Å; E406-K459 PolarHBondContact OE2-NZ 2.98Å
407G96.7Very high94.4Very high3 Ų333.4 Ų33.43%0.03117%0.169CC..Hα-helixtrans-58.5-40.2173.600000112.8A403 V405 I409 V410 N411A403-G407 PolarHBondContact O-N 2.84Å; V405-G407 VanDerWaalsContact C-N 3.34Å; V405-G407 PolarHBondContact O-N 2.85Å; G407-I409 VanDerWaalsContact C-N 3.34Å; G407-I409 PolarHBondContact O-N 3.44Å; G407-V410 WeakPolarHBondContact O-CB 3.39Å; G407-V410 PolarHBondContact O-N 3.09Å; G407-N411 PolarHBondContact O-N 3.33Å
408Y97.1Very high94.1Very high58 Ų5835.5 Ų35.523%0.22718%0.178CC..Hα-helixtrans-63.2-38.6174.4-167.1-99.1000113.1L374 F377 Q378 G404 V405 E406 N411 N412L374-Y408 HydrophobicContact CD1-CD1 4.22Å; L374-Y408 HydrophobicContact CD1-CD2 4.24Å; L374-Y408 HydrophobicContact CD1-CE1 3.9Å; L374-Y408 HydrophobicContact CD1-CE2 3.93Å; L374-Y408 HydrophobicContact CD1-CG 4.36Å; L374-Y408 HydrophobicContact CD2-CE2 4.37Å; L374-Y408 HydrophobicContact CG-CE2 4.39Å; F377-Y408 HydrophobicContact CD1-CD1 4.19Å; F377-Y408 HydrophobicContact CD1-CE1 4.1Å; F377-Y408 HydrophobicContact CE1-CD1 4.24Å; Q378-Y408 WeakPolarHBondContact CB-OH 3.33Å; Q378-Y408 VanDerWaalsContact OE1-CE1 3.25Å; Q378-Y408 VanDerWaalsContact OE1-CZ 3.28Å; Q378-Y408 PolarHBondContact OE1-OH 3.31Å; G404-Y408 WeakPolarHBondContact O-CB 3.47Å; G404-Y408 PolarHBondContact O-N 2.89Å; G404-Y408 VanDerWaalsContact O-N 3.07Å; V405-Y408 WeakPolarHBondContact O-CB 3.48Å; V405-Y408 PolarHBondContact O-N 2.9Å; V405-Y408 VanDerWaalsContact O-N 3.13Å; E406-Y408 VanDerWaalsContact C-N 3.31Å; E406-Y408 PolarHBondContact O-N 2.7Å; Y408-N411 PolarHBondContact O-N 2.79Å; Y408-N412 WeakPolarHBondContact CE1-ND2 3.38Å; Y408-N412 PolarHBondContact O-N 2.92Å; Y408-N412 VanDerWaalsContact O-N 3.09Å; Y408-N412 PolarHBondContact O-ND2 3.09Å; Y408-N412 VanDerWaalsContact O-ND2 3.07Å
409I97.9Very high93.8Very high0 Ų032.9 Ų32.90%017%0.174CC..Hα-helixtrans-66.9-42173.6-63.9-63.7000110.8F377 I381 F392 F393 M396 L397 V405 E406 G407 N411 N412 I413F377-I409 HydrophobicContact CE1-CD1 3.8Å; F377-I409 HydrophobicContact CZ-CD1 3.97Å; I381-I409 HydrophobicContact CD1-CD1 4.18Å; F392-I409 HydrophobicContact CE1-CD1 4.25Å; F393-I409 HydrophobicContact CB-CG2 3.75Å; F393-I409 HydrophobicContact CD1-CD1 4.06Å; F393-I409 HydrophobicContact CD1-CG2 3.78Å; F393-I409 HydrophobicContact CE1-CD1 4.41Å; F393-I409 HydrophobicContact CG-CG2 3.91Å; M396-I409 HydrophobicContact CB-CD1 4.01Å; M396-I409 HydrophobicContact CB-CG1 3.83Å; M396-I409 HydrophobicContact CG-CD1 4.08Å; M396-I409 HydrophobicContact CG-CG1 4.42Å; L397-I409 HydrophobicContact CD1-CG2 4.42Å; L397-I409 HydrophobicContact CD2-CB 4.42Å; L397-I409 HydrophobicContact CD2-CG2 4.2Å; L397-I409 HydrophobicContact CG-CG2 3.97Å; V405-I409 WeakPolarHBondContact O-CG1 3.41Å; V405-I409 PolarHBondContact O-N 3.36Å; E406-I409 WeakPolarHBondContact O-CB 3.38Å; E406-I409 PolarHBondContact O-N 2.69Å; E406-I409 VanDerWaalsContact O-N 3.12Å; G407-I409 VanDerWaalsContact C-N 3.34Å; G407-I409 PolarHBondContact O-N 3.44Å; I409-N411 VanDerWaalsContact C-N 3.31Å; I409-N411 PolarHBondContact O-N 3.44Å; I409-N412 WeakPolarHBondContact O-CA 3.47Å; I409-N412 WeakPolarHBondContact O-CB 3.39Å; I409-N412 PolarHBondContact O-N 3.26Å; I409-N412 VanDerWaalsContact O-N 3.08Å; I409-I413 HydrophobicContact CG2-CD1 4.13Å; I409-I413 HydrophobicContact CG2-CG1 4.5Å; I409-I413 WeakPolarHBondContact O-CG1 3.44Å; I409-I413 PolarHBondContact O-N 3.46Å
410V97.8Very high93.4Very high0 Ų031.4 Ų31.40%017%0.165CC..Hα-helixtrans-58.5-43.6174.8175.60000111.2L397 E406 G407 N412 I413 R414 V442 E462 L466L397-V410 HydrophobicContact CD2-CG2 4.22Å; E406-V410 VanDerWaalsContact O-CG2 3.3Å; E406-V410 WeakPolarHBondContact O-CG2 3.42Å; E406-V410 PolarHBondContact O-N 3.07Å; G407-V410 WeakPolarHBondContact O-CB 3.39Å; G407-V410 PolarHBondContact O-N 3.09Å; V410-N412 VanDerWaalsContact C-N 3.31Å; V410-N412 PolarHBondContact O-N 2.87Å; V410-I413 WeakPolarHBondContact O-CB 3.49Å; V410-I413 PolarHBondContact O-N 2.93Å; V410-R414 PolarHBondContact O-N 2.87Å; V410-V442 HydrophobicContact CB-CG1 4.37Å; V410-V442 HydrophobicContact CG1-CG1 3.75Å; V410-V442 HydrophobicContact CG2-CB 4.3Å; V410-V442 HydrophobicContact CG2-CG1 3.63Å; V410-V442 HydrophobicContact CG2-CG2 3.85Å; V410-E462 HydrophobicContact CB-CB 4.01Å; V410-E462 HydrophobicContact CG1-CB 3.84Å; V410-L466 HydrophobicContact CG1-CB 4.15Å; V410-L466 HydrophobicContact CG1-CD2 4.16Å
411N97.1Very high93.1Very high47 Ų4733.2 Ų33.225%0.25118%0.175SC..Hα-helixtrans-61.7-38.2174.9178.342.1000112.5G407 Y408 I409 R414 S415G407-N411 PolarHBondContact O-N 3.33Å; Y408-N411 PolarHBondContact O-N 2.79Å; I409-N411 VanDerWaalsContact C-N 3.31Å; I409-N411 PolarHBondContact O-N 3.44Å; N411-R414 WeakPolarHBondContact O-CB 3.36Å; N411-R414 PolarHBondContact O-N 3.24Å; N411-R414 PolarHBondContact OD1-NE 2.95Å; N411-R414 PolarHBondContact OD1-NH2 3.12Å; N411-S415 PolarHBondContact O-N 3.38Å; N411-S415 PolarHBondContact O-OG 3.08Å
412N97.3Very high92.5Very high6 Ų633.5 Ų33.53%0.03217%0.174CC..Hα-helixtrans-66.8-42.5174.3-90.7-81.1000112.3Q378 F393 Y408 I409 V410 R414 S415 Q416Q378-N412 PolarHBondContact NE2-OD1 2.72Å; Q378-N412 PolarHBondContact OE1-ND2 3.08Å; Q378-N412 PolarHBondContact OE1-OD1 3.41Å; Q378-N412 VanDerWaalsContact OE1-OD1 3.12Å; F393-N412 HydrophobicContact CE1-CB 4.06Å; F393-N412 HydrophobicContact CE2-CB 4.5Å; F393-N412 HydrophobicContact CZ-CB 3.8Å; Y408-N412 WeakPolarHBondContact CE1-ND2 3.38Å; Y408-N412 PolarHBondContact O-N 2.92Å; Y408-N412 VanDerWaalsContact O-N 3.09Å; Y408-N412 PolarHBondContact O-ND2 3.09Å; Y408-N412 VanDerWaalsContact O-ND2 3.07Å; I409-N412 WeakPolarHBondContact O-CA 3.47Å; I409-N412 WeakPolarHBondContact O-CB 3.39Å; I409-N412 PolarHBondContact O-N 3.26Å; I409-N412 VanDerWaalsContact O-N 3.08Å; V410-N412 VanDerWaalsContact C-N 3.31Å; V410-N412 PolarHBondContact O-N 2.87Å; N412-R414 VanDerWaalsContact C-N 3.32Å; N412-R414 PolarHBondContact O-N 3.41Å; N412-S415 WeakPolarHBondContact O-CB 3.33Å; N412-S415 PolarHBondContact O-N 3.45Å; N412-S415 VanDerWaalsContact O-N 3.1Å; N412-Q416 WeakPolarHBondContact O-CG 3.49Å; N412-Q416 PolarHBondContact O-N 3.48Å
413I96.4Very high91.2Very high0 Ų034.5 Ų34.50%019%0.185CC..Hα-helixtrans-56.5-48.4172.9-68.5164.8000110F393 L397 I409 V410 S415 Q416 I417 L438 V442 L466F393-I413 HydrophobicContact CB-CD1 4.17Å; F393-I413 HydrophobicContact CB-CG1 4.15Å; F393-I413 HydrophobicContact CD2-CD1 4.37Å; F393-I413 HydrophobicContact CD2-CG1 3.46Å; F393-I413 VanDerWaalsContact CD2-CG1 3.46Å; F393-I413 HydrophobicContact CE2-CG1 4.02Å; F393-I413 HydrophobicContact CG-CD1 4.49Å; F393-I413 HydrophobicContact CG-CG1 3.96Å; L397-I413 HydrophobicContact CD1-CD1 3.89Å; I409-I413 HydrophobicContact CG2-CD1 4.13Å; I409-I413 HydrophobicContact CG2-CG1 4.5Å; I409-I413 WeakPolarHBondContact O-CG1 3.44Å; I409-I413 PolarHBondContact O-N 3.46Å; V410-I413 WeakPolarHBondContact O-CB 3.49Å; V410-I413 PolarHBondContact O-N 2.93Å; I413-S415 VanDerWaalsContact C-N 3.28Å; I413-S415 PolarHBondContact O-N 3.32Å; I413-Q416 PolarHBondContact O-N 3.32Å; I413-I417 HydrophobicContact CG2-CD1 3.74Å; I413-I417 HydrophobicContact CG2-CG1 4.44Å; I413-I417 WeakPolarHBondContact O-CG1 3.39Å; I413-I417 PolarHBondContact O-N 3.33Å; I413-L438 HydrophobicContact CD1-CD2 4.01Å; I413-V442 HydrophobicContact CD1-CG2 3.81Å; I413-L466 HydrophobicContact CG2-CD2 4.42Å
414R94.6Very high89.6Confident56 Ų5637.2 Ų37.221%0.21122%0.215CC..Hα-helixtrans-54.3-45.5174.9-178.1178.264.4174.2-10111.5V410 N411 N412 I417 Q418 E462 L466 C469V410-R414 PolarHBondContact O-N 2.87Å; N411-R414 WeakPolarHBondContact O-CB 3.36Å; N411-R414 PolarHBondContact O-N 3.24Å; N411-R414 PolarHBondContact OD1-NE 2.95Å; N411-R414 PolarHBondContact OD1-NH2 3.12Å; N412-R414 VanDerWaalsContact C-N 3.32Å; N412-R414 PolarHBondContact O-N 3.41Å; R414-I417 PolarHBondContact O-N 3.45Å; R414-Q418 VanDerWaalsContact O-CG 3.27Å; R414-Q418 WeakPolarHBondContact O-CG 3.33Å; R414-Q418 PolarHBondContact O-N 3.33Å; R414-E462 IonicContact CZ-OE2 2.65Å; R414-E462 IonicContact NH2-OE2 2.76Å; R414-E462 PolarHBondContact NH2-OE2 3.13Å; R414-L466 HydrophobicContact CB-CD1 3.8Å; R414-L466 HydrophobicContact CG-CD1 4.12Å; R414-C469 HydrophobicContact CG-CB 4.44Å
415S93.7Very high87.8Confident41 Ų4143.5 Ų43.529%0.28724%0.238SC..Hα-helixtrans-65.5-38-179.8-58.70000112.6N411 N412 I413 Q418 S419N411-S415 PolarHBondContact O-N 3.38Å; N411-S415 PolarHBondContact O-OG 3.08Å; N412-S415 WeakPolarHBondContact O-CB 3.33Å; N412-S415 PolarHBondContact O-N 3.45Å; N412-S415 VanDerWaalsContact O-N 3.1Å; I413-S415 VanDerWaalsContact C-N 3.28Å; I413-S415 PolarHBondContact O-N 3.32Å; S415-Q418 PolarHBondContact O-N 3.5Å; S415-S419 WeakPolarHBondContact O-CB 3.39Å; S415-S419 PolarHBondContact O-N 2.94Å; S415-S419 PolarHBondContact O-OG 2.76Å
416Q92.4Very high85.9Confident26 Ų2646.4 Ų46.412%0.12126%0.263CS..Hα-helixtrans-65.3-48174.5-67.7-55.7-60.800111.4K389 F393 N412 I413 Q418 S419 S420 F430K389-Q416 VanDerWaalsContact CD-CD 3.45Å; K389-Q416 HydrophobicContact CD-CG 3.91Å; F393-Q416 HydrophobicContact CE2-CG 4.02Å; F393-Q416 HydrophobicContact CZ-CG 4.43Å; N412-Q416 WeakPolarHBondContact O-CG 3.49Å; N412-Q416 PolarHBondContact O-N 3.48Å; I413-Q416 PolarHBondContact O-N 3.32Å; Q416-Q418 VanDerWaalsContact C-N 3.28Å; Q416-Q418 PolarHBondContact O-N 3.23Å; Q416-S419 PolarHBondContact O-N 2.67Å; Q416-S420 PolarHBondContact O-N 3.47Å; Q416-S420 PolarHBondContact O-OG 3.27Å; Q416-F430 HydrophobicContact CB-CB 4.38Å; Q416-F430 HydrophobicContact CB-CD1 3.62Å; Q416-F430 HydrophobicContact CB-CD2 3.94Å; Q416-F430 HydrophobicContact CB-CE1 3.78Å; Q416-F430 HydrophobicContact CB-CE2 4.08Å; Q416-F430 HydrophobicContact CB-CG 3.7Å; Q416-F430 HydrophobicContact CB-CZ 4.01Å; Q416-F430 HydrophobicContact CG-CD1 4.37Å; Q416-F430 HydrophobicContact CG-CD2 4.47Å; Q416-F430 HydrophobicContact CG-CE1 4.03Å; Q416-F430 HydrophobicContact CG-CE2 4.12Å; Q416-F430 HydrophobicContact CG-CZ 3.9Å
417I90.1Very high84.6Confident3 Ų347.6 Ų47.62%0.01527%0.269CS..Hα-helixtrans-55.9-46.3175.9-64.8162.4000110.4I413 R414 S419 S420 I421 F430 L435 L466 L470 M477I413-I417 HydrophobicContact CG2-CD1 3.74Å; I413-I417 HydrophobicContact CG2-CG1 4.44Å; I413-I417 WeakPolarHBondContact O-CG1 3.39Å; I413-I417 PolarHBondContact O-N 3.33Å; R414-I417 PolarHBondContact O-N 3.45Å; I417-S419 VanDerWaalsContact C-N 3.28Å; I417-S419 PolarHBondContact O-N 2.99Å; I417-S420 PolarHBondContact O-N 3.27Å; I417-I421 HydrophobicContact CG2-CD1 3.91Å; I417-I421 WeakPolarHBondContact O-CD1 3.41Å; I417-I421 VanDerWaalsContact O-CG1 3.24Å; I417-I421 WeakPolarHBondContact O-CG1 3.4Å; I417-I421 PolarHBondContact O-N 3.25Å; I417-I421 VanDerWaalsContact O-N 3.17Å; I417-F430 HydrophobicContact CG1-CB 4.23Å; I417-L435 HydrophobicContact CD1-CD1 3.67Å; I417-L435 HydrophobicContact CD1-CD2 4.35Å; I417-L435 HydrophobicContact CG1-CD1 4.1Å; I417-L466 HydrophobicContact CD1-CD1 3.76Å; I417-L470 HydrophobicContact CD1-CD2 4.27Å; I417-L470 HydrophobicContact CG2-CD2 3.98Å; I417-M477 HydrophobicContact CG2-CE 3.86Å
418Q88Confident83.9Confident54 Ų5451.6 Ų51.625%0.25229%0.294SS..Hα-helixtrans-63.2-33.8179.4-72.3-177.67.600113.5R414 S415 Q416 K422 C469R414-Q418 VanDerWaalsContact O-CG 3.27Å; R414-Q418 WeakPolarHBondContact O-CG 3.33Å; R414-Q418 PolarHBondContact O-N 3.33Å; S415-Q418 PolarHBondContact O-N 3.5Å; Q416-Q418 VanDerWaalsContact C-N 3.28Å; Q416-Q418 PolarHBondContact O-N 3.23Å; Q418-K422 WeakPolarHBondContact O-CG 3.42Å; Q418-C469 PolarHBondContact NE2-SG 3.34Å
419S87.2Confident83.6Confident57 Ų5751.7 Ų51.740%0.39929%0.294SS..Hα-helixtrans-75.3-44.8179.3-57.40000111S415 Q416 I417 I421 K422 V423S415-S419 WeakPolarHBondContact O-CB 3.39Å; S415-S419 PolarHBondContact O-N 2.94Å; S415-S419 PolarHBondContact O-OG 2.76Å; Q416-S419 PolarHBondContact O-N 2.67Å; I417-S419 VanDerWaalsContact C-N 3.28Å; I417-S419 PolarHBondContact O-N 2.99Å; S419-I421 VanDerWaalsContact C-N 3.26Å; S419-I421 PolarHBondContact O-N 3.48Å; S419-K422 PolarHBondContact O-N 3.25Å; S419-V423 WeakPolarHBondContact O-CG2 3.09Å; S419-V423 PolarHBondContact O-N 3.29Å
420S85.2Confident83.2Confident9 Ų951.7 Ų51.76%0.06329%0.294CS..Hα-helixtrans-57.7-37.9176.8-56.20000112.6Q416 I417 K422Q416-S420 PolarHBondContact O-N 3.47Å; Q416-S420 PolarHBondContact O-OG 3.27Å; I417-S420 PolarHBondContact O-N 3.27Å; S420-K422 VanDerWaalsContact C-N 3.34Å; S420-K422 PolarHBondContact O-N 3.4Å
421I81.8Confident82.6Confident38 Ų3853.3 Ų53.320%0.19530%0.302CS..Hα-helixtrans-66.7-34.8176.4-64.4162.2000112I417 S419 L431 E476 M477I417-I421 HydrophobicContact CG2-CD1 3.91Å; I417-I421 WeakPolarHBondContact O-CD1 3.41Å; I417-I421 VanDerWaalsContact O-CG1 3.24Å; I417-I421 WeakPolarHBondContact O-CG1 3.4Å; I417-I421 PolarHBondContact O-N 3.25Å; I417-I421 VanDerWaalsContact O-N 3.17Å; S419-I421 VanDerWaalsContact C-N 3.26Å; S419-I421 PolarHBondContact O-N 3.48Å; I421-L431 HydrophobicContact CG1-CD2 4Å; I421-E476 HydrophobicContact CG2-CB 4.26Å; I421-E476 HydrophobicContact CG2-CG 3.97Å; I421-M477 HydrophobicContact CD1-CE 3.39Å; I421-M477 HydrophobicContact CG1-CE 3.92Å
422K77.6Confident82.1Confident165 Ų16552.4 Ų52.472%0.71730%0.304SS*.Hα-helixtrans-77.2-36.4-175.6-75.7177.1179.6179.60113.3Q418 S419 S420 G424Q418-K422 WeakPolarHBondContact O-CG 3.42Å; S419-K422 PolarHBondContact O-N 3.25Å; S420-K422 VanDerWaalsContact C-N 3.34Å; S420-K422 PolarHBondContact O-N 3.4Å; K422-G424 VanDerWaalsContact C-N 3.33Å
423V65.9Low81.6Confident101 Ų10156.1 Ų56.161%0.61233%0.327SS*.Hα-helixtrans-78.5-19.2-171.3178.80000111.9S419 E425S419-V423 WeakPolarHBondContact O-CG2 3.09Å; S419-V423 PolarHBondContact O-N 3.29Å; V423-E425 HydrophobicContact CG1-CB 4.18Å; V423-E425 PolarHBondContact O-N 3.32Å
424G60.2Low81.3Confident70 Ų7059.4 Ų59.472%0.72234%0.342SS*.SBendtrans71.6-19.6178.200000114.3K422 A426K422-G424 VanDerWaalsContact C-N 3.33Å; G424-A426 PolarHBondContact O-N 3.33Å
425E54.7Low81.1Confident157 Ų15756.8 Ų56.873%0.73433%0.332SS*.SBendtrans-76.7107.8161-66.8-176.7164.700108.4V423 N427V423-E425 HydrophobicContact CG1-CB 4.18Å; V423-E425 PolarHBondContact O-N 3.32Å; E425-N427 PolarHBondContact O-N 2.96Å
426A55.7Low81.1Confident71 Ų7156.1 Ų56.159%0.58733%0.325SS*.  trans-66.793.3-176.500000110.2G424 T428G424-A426 PolarHBondContact O-N 3.33Å; A426-T428 VanDerWaalsContact C-N 3.31Å; A426-T428 PolarHBondContact O-N 3.37Å
427N69.8Low81.1Confident37 Ų3756.5 Ų56.520%0.19833%0.33CS..  trans-60.6100.2158.9176.8-9.5000107.7A386 E425 W429 F430A386-N427 WeakPolarHBondContact CB-ND2 3.3Å; A386-N427 VanDerWaalsContact CB-OD1 3.29Å; A386-N427 WeakPolarHBondContact CB-OD1 3.37Å; E425-N427 PolarHBondContact O-N 2.96Å; N427-W429 PolarHBondContact O-N 2.99Å; N427-W429 VanDerWaalsContact O-N 3.15Å; N427-W429 WeakPolarHBondContact OD1-CB 3.4Å; N427-W429 PolarHBondContact OD1-N 2.96Å; N427-W429 VanDerWaalsContact OD1-N 3.08Å; N427-F430 PolarHBondContact O-N 3.18Å
428T82.1Confident81.4Confident88 Ų8856.3 Ų56.354%0.5433%0.329SS..THydrogen-bonded Turntrans-65.3-14.7-175.156.20000113A426 E434A426-T428 VanDerWaalsContact C-N 3.31Å; A426-T428 PolarHBondContact O-N 3.37Å; T428-E434 WeakPolarHBondContact O-CB 3.39Å
429W90.2Very high81.7Confident60 Ų6053.8 Ų53.823%0.22732%0.317CS..THydrogen-bonded Turntrans-79.5-24.5-178.9-67.3100.3000113.3A386 E387 H390 N427 E434A386-W429 HydrophobicContact CB-CB 4.46Å; A386-W429 HydrophobicContact CB-CG 4.44Å; E387-W429 HydrophobicContact CB-CD2 4.08Å; E387-W429 HydrophobicContact CB-CG 4.41Å; E387-W429 HydrophobicContact CB-CZ2 3.81Å; E387-W429 HydrophobicContact CG-CD2 4.11Å; E387-W429 HydrophobicContact CG-CE3 4.41Å; E387-W429 HydrophobicContact CG-CH2 3.66Å; E387-W429 HydrophobicContact CG-CZ2 3.29Å; E387-W429 HydrophobicContact CG-CZ3 4.21Å; E387-W429 WeakPolarHBondContact OE2-CZ2 3.47Å; H390-W429 HydrophobicContact CB-CB 4.23Å; H390-W429 HydrophobicContact CB-CE3 4.12Å; H390-W429 PolarHBondContact CD2-O 2.75Å; H390-W429 AromaticContact CG-CE3 3.88Å; H390-W429 AromaticContact ND1-CE3 3.98Å; N427-W429 PolarHBondContact O-N 2.99Å; N427-W429 VanDerWaalsContact O-N 3.15Å; N427-W429 WeakPolarHBondContact OD1-CB 3.4Å; N427-W429 PolarHBondContact OD1-N 2.96Å; N427-W429 VanDerWaalsContact OD1-N 3.08Å; W429-E434 HydrophobicContact CE3-CB 4.16Å; W429-E434 HydrophobicContact CE3-CG 4.06Å; W429-E434 HydrophobicContact CZ3-CG 4.29Å
430F90Very high82.1Confident0 Ų056 Ų560%032%0.321CS..SBendtrans-117.111.9-178.8-66.4-82000113.1A386 K389 H390 F393 Q416 I417 N427 L438A386-F430 WeakPolarHBondContact O-CE2 3.44Å; K389-F430 HydrophobicContact CB-CE2 4.11Å; K389-F430 HydrophobicContact CB-CZ 3.76Å; H390-F430 HydrophobicContact CB-CZ 4.25Å; F393-F430 AromaticContact CD2-CE1 3.73Å; F393-F430 HydrophobicContact CD2-CE1 3.73Å; F393-F430 AromaticContact CD2-CZ 3.87Å; F393-F430 HydrophobicContact CD2-CZ 3.87Å; F393-F430 AromaticContact CE2-CE1 3.69Å; F393-F430 HydrophobicContact CE2-CE1 3.69Å; F393-F430 AromaticContact CE2-CZ 3.66Å; F393-F430 HydrophobicContact CE2-CZ 3.66Å; Q416-F430 HydrophobicContact CB-CB 4.38Å; Q416-F430 HydrophobicContact CB-CD1 3.62Å; Q416-F430 HydrophobicContact CB-CD2 3.94Å; Q416-F430 HydrophobicContact CB-CE1 3.78Å; Q416-F430 HydrophobicContact CB-CE2 4.08Å; Q416-F430 HydrophobicContact CB-CG 3.7Å; Q416-F430 HydrophobicContact CB-CZ 4.01Å; Q416-F430 HydrophobicContact CG-CD1 4.37Å; Q416-F430 HydrophobicContact CG-CD2 4.47Å; Q416-F430 HydrophobicContact CG-CE1 4.03Å; Q416-F430 HydrophobicContact CG-CE2 4.12Å; Q416-F430 HydrophobicContact CG-CZ 3.9Å; I417-F430 HydrophobicContact CG1-CB 4.23Å; N427-F430 PolarHBondContact O-N 3.18Å; F430-L438 HydrophobicContact CD1-CD1 4.12Å; F430-L438 HydrophobicContact CE1-CD1 3.89Å
431L85.7Confident82.5Confident34 Ų3457.2 Ų57.218%0.17833%0.327CS..SBendtrans-140159.3175.3-65.3175.6000108.5I421 M477I421-L431 HydrophobicContact CG1-CD2 4Å; L431-M477 HydrophobicContact CD2-CE 3.62Å; L431-M477 HydrophobicContact CD2-SD 4.3Å
432G85.2Confident83.2Confident28 Ų2855.4 Ų55.429%0.28932%0.318SS..G310 helixtrans66.1-148.8178.200000113.5E434 L435G432-E434 PolarHBondContact O-N 3.17Å; G432-L435 WeakPolarHBondContact O-CB 3.44Å; G432-L435 PolarHBondContact O-N 3.05Å
433T87.7Confident84Confident84 Ų8448.1 Ų48.152%0.51529%0.287SS..G310 helixtrans-63.9-34.7-170.652.70000114L435 L436 P437 V483T433-L435 PolarHBondContact O-N 3.25Å; T433-L436 WeakPolarHBondContact O-CB 3.46Å; T433-L436 PolarHBondContact O-N 3.14Å; T433-L436 VanDerWaalsContact O-N 3.16Å; T433-P437 WeakPolarHBondContact O-CD 3.46Å; T433-V483 HydrophobicContact CG2-CG2 3.76Å
434E90.2Very high85.2Confident69 Ų6945.6 Ų45.632%0.32227%0.273SS..G310 helixtrans-70.4-16.6-178.6-61.2-56.8136.500112.9H390 T428 W429 G432 L436 P437H390-E434 PolarHBondContact NE2-O 3.15Å; T428-E434 WeakPolarHBondContact O-CB 3.39Å; W429-E434 HydrophobicContact CE3-CB 4.16Å; W429-E434 HydrophobicContact CE3-CG 4.06Å; W429-E434 HydrophobicContact CZ3-CG 4.29Å; G432-E434 PolarHBondContact O-N 3.17Å; E434-L436 VanDerWaalsContact C-N 3.32Å; E434-P437 WeakPolarHBondContact O-CD 3.2Å
435L90.6Very high86.5Confident1 Ų143.4 Ų43.41%0.00525%0.245CC..G310 helixtrans-70.7-30.6173.8178.259.3000111.8I417 G432 T433 L438 L439 L470I417-L435 HydrophobicContact CD1-CD1 3.67Å; I417-L435 HydrophobicContact CD1-CD2 4.35Å; I417-L435 HydrophobicContact CG1-CD1 4.1Å; G432-L435 WeakPolarHBondContact O-CB 3.44Å; G432-L435 PolarHBondContact O-N 3.05Å; T433-L435 PolarHBondContact O-N 3.25Å; L435-L438 WeakPolarHBondContact O-CB 3.33Å; L435-L438 PolarHBondContact O-N 3.15Å; L435-L438 VanDerWaalsContact O-N 3.1Å; L435-L439 HydrophobicContact CD1-CD1 4.42Å; L435-L439 HydrophobicContact CD1-CD2 4.34Å; L435-L439 HydrophobicContact CD1-CG 4.06Å; L435-L439 HydrophobicContact CD2-CD1 4.06Å; L435-L439 HydrophobicContact CG-CD1 3.79Å; L435-L439 HydrophobicContact CG-CG 3.92Å; L435-L439 PolarHBondContact O-N 2.71Å; L435-L470 HydrophobicContact CD2-CD2 4.43Å
436L92.3Very high87.9Confident26 Ų2640.1 Ų40.114%0.13624%0.237CC..Hα-helixtrans-60-47.9-172.1-56.6171.1000112.8T433 E434 L438 L439 E440 V483 E486 I487 I490T433-L436 WeakPolarHBondContact O-CB 3.46Å; T433-L436 PolarHBondContact O-N 3.14Å; T433-L436 VanDerWaalsContact O-N 3.16Å; E434-L436 VanDerWaalsContact C-N 3.32Å; L436-L438 PolarHBondContact O-N 3.34Å; L436-L438 VanDerWaalsContact O-N 3.15Å; L436-L439 PolarHBondContact O-N 3.26Å; L436-E440 WeakPolarHBondContact O-CG 3.39Å; L436-E440 PolarHBondContact O-N 3.34Å; L436-V483 HydrophobicContact CD2-CG1 4.15Å; L436-V483 HydrophobicContact CG-CG1 4.46Å; L436-E486 HydrophobicContact CD1-CB 4.2Å; L436-E486 HydrophobicContact CD1-CG 3.86Å; L436-E486 HydrophobicContact CD2-CB 4.06Å; L436-E486 HydrophobicContact CD2-CG 3.84Å; L436-E486 HydrophobicContact CG-CG 4.37Å; L436-I487 HydrophobicContact CD2-CG1 3.74Å; L436-I490 HydrophobicContact CD2-CD1 4.46Å
437P94.1Very high89.3Confident34 Ų3442.5 Ų42.522%0.22124%0.236CC..Hα-helixtrans-63.6-21.9177.5-22.834.4000114.6T433 E434 L441T433-P437 WeakPolarHBondContact O-CD 3.46Å; E434-P437 WeakPolarHBondContact O-CD 3.2Å; P437-L441 WeakPolarHBondContact O-CG 3.48Å
438L95.1Very high90.1Very high0 Ų042.8 Ų42.80%024%0.244CC..Hα-helixtrans-76.4-46.6171-78.6173.1000110.1H390 F393 R394 I413 F430 L435 L436 E440 L441 V442H390-L438 WeakPolarHBondContact CD2-CD1 3.41Å; F393-L438 HydrophobicContact CB-CD2 4Å; R394-L438 HydrophobicContact CG-CD2 3.46Å; R394-L438 VanDerWaalsContact CG-CD2 3.46Å; R394-L438 HydrophobicContact CG-CG 4.2Å; I413-L438 HydrophobicContact CD1-CD2 4.01Å; F430-L438 HydrophobicContact CD1-CD1 4.12Å; F430-L438 HydrophobicContact CE1-CD1 3.89Å; L435-L438 WeakPolarHBondContact O-CB 3.33Å; L435-L438 PolarHBondContact O-N 3.15Å; L435-L438 VanDerWaalsContact O-N 3.1Å; L436-L438 PolarHBondContact O-N 3.34Å; L436-L438 VanDerWaalsContact O-N 3.15Å; L438-E440 VanDerWaalsContact C-N 3.33Å; L438-E440 PolarHBondContact O-N 2.79Å; L438-L441 PolarHBondContact O-N 3.34Å; L438-L441 VanDerWaalsContact O-N 3.1Å; L438-V442 VanDerWaalsContact O-CG2 3.31Å; L438-V442 WeakPolarHBondContact O-CG2 3.39Å; L438-V442 PolarHBondContact O-N 3.41Å
439L94.7Very high90.2Very high1 Ų140 Ų401%0.00523%0.229CC..Hα-helixtrans-61.6-39.7179.8-67.6179000112.4L435 L436 L441 V442 L443 L466 L470 I487 I490L435-L439 HydrophobicContact CD1-CD1 4.42Å; L435-L439 HydrophobicContact CD1-CD2 4.34Å; L435-L439 HydrophobicContact CD1-CG 4.06Å; L435-L439 HydrophobicContact CD2-CD1 4.06Å; L435-L439 HydrophobicContact CG-CD1 3.79Å; L435-L439 HydrophobicContact CG-CG 3.92Å; L435-L439 PolarHBondContact O-N 2.71Å; L436-L439 PolarHBondContact O-N 3.26Å; L439-L441 PolarHBondContact O-N 3.12Å; L439-V442 PolarHBondContact O-N 3.01Å; L439-L443 HydrophobicContact CB-CD1 4.35Å; L439-L443 VanDerWaalsContact O-CB 3.24Å; L439-L443 WeakPolarHBondContact O-CB 3.48Å; L439-L443 WeakPolarHBondContact O-CG 3.45Å; L439-L443 PolarHBondContact O-N 3.17Å; L439-L466 HydrophobicContact CD2-CD2 3.82Å; L439-L470 HydrophobicContact CD1-CD1 4.15Å; L439-L470 HydrophobicContact CD2-CD1 3.83Å; L439-I487 HydrophobicContact CD1-CD1 4.21Å; L439-I487 HydrophobicContact CD1-CG1 3.81Å; L439-I490 HydrophobicContact CB-CD1 4.47Å
440E94.8Very high89.9Confident103 Ų10344.8 Ų44.848%0.48125%0.254SS..Hα-helixtrans-57.2-37.6173.8-71.4175.3170.400112.5L436 L438 S444 I490L436-E440 WeakPolarHBondContact O-CG 3.39Å; L436-E440 PolarHBondContact O-N 3.34Å; L438-E440 VanDerWaalsContact C-N 3.33Å; L438-E440 PolarHBondContact O-N 2.79Å; E440-S444 WeakPolarHBondContact O-CB 3.47Å; E440-I490 HydrophobicContact CG-CD1 3.85Å; E440-I490 HydrophobicContact CG-CG1 4.48Å
441L95.1Very high89.8Confident35 Ų3544.8 Ų44.818%0.18326%0.255CS..Hα-helixtrans-75.6-40.4177.2-66.3171.6000112.1R394 L397 K398 P437 L438 L439 S444R394-L441 HydrophobicContact CB-CD1 4.12Å; R394-L441 HydrophobicContact CG-CD1 4.02Å; L397-L441 HydrophobicContact CB-CB 4.35Å; L397-L441 HydrophobicContact CD1-CB 4.02Å; K398-L441 HydrophobicContact CG-CD1 4.35Å; K398-L441 HydrophobicContact CG-CD2 4.05Å; P437-L441 WeakPolarHBondContact O-CG 3.48Å; L438-L441 PolarHBondContact O-N 3.34Å; L438-L441 VanDerWaalsContact O-N 3.1Å; L439-L441 PolarHBondContact O-N 3.12Å; L441-S444 PolarHBondContact O-OG 3.32Å
442V95.6Very high90Very high0 Ų046.2 Ų46.20%026%0.262CS..Hα-helixtrans-70.5-39.9-178.81730000111.9L397 V410 I413 L438 L439 S444 S463 L466L397-V442 HydrophobicContact CD1-CG2 3.63Å; V410-V442 HydrophobicContact CB-CG1 4.37Å; V410-V442 HydrophobicContact CG1-CG1 3.75Å; V410-V442 HydrophobicContact CG2-CB 4.3Å; V410-V442 HydrophobicContact CG2-CG1 3.63Å; V410-V442 HydrophobicContact CG2-CG2 3.85Å; I413-V442 HydrophobicContact CD1-CG2 3.81Å; L438-V442 VanDerWaalsContact O-CG2 3.31Å; L438-V442 WeakPolarHBondContact O-CG2 3.39Å; L438-V442 PolarHBondContact O-N 3.41Å; L439-V442 PolarHBondContact O-N 3.01Å; V442-S444 VanDerWaalsContact C-N 3.3Å; V442-S444 PolarHBondContact O-N 2.96Å; V442-S463 VanDerWaalsContact CG1-OG 3.22Å; V442-S463 WeakPolarHBondContact CG1-OG 3.29Å; V442-S463 PolarHBondContact O-OG 3.17Å; V442-L466 HydrophobicContact CG1-CD2 3.86Å
443L94.4Very high90.4Very high12 Ų1244.9 Ų44.96%0.06325%0.249CC..THydrogen-bonded Turntrans-98.746.2-176.4-53178.8000110.8L439 L467 I490 Y494L439-L443 HydrophobicContact CB-CD1 4.35Å; L439-L443 VanDerWaalsContact O-CB 3.24Å; L439-L443 WeakPolarHBondContact O-CB 3.48Å; L439-L443 WeakPolarHBondContact O-CG 3.45Å; L439-L443 PolarHBondContact O-N 3.17Å; L443-L467 HydrophobicContact CD1-CD1 4.16Å; L443-L467 HydrophobicContact CD1-CD2 3.52Å; L443-L467 HydrophobicContact CD1-CG 3.9Å; L443-L467 HydrophobicContact CD2-CD1 3.69Å; L443-L467 HydrophobicContact CD2-CD2 4.28Å; L443-L467 HydrophobicContact CD2-CG 3.68Å; L443-L467 HydrophobicContact CG-CG 4.46Å; L443-I490 HydrophobicContact CB-CG2 3.85Å; L443-I490 HydrophobicContact CD1-CG2 3.69Å; L443-I490 HydrophobicContact CG-CG2 4.36Å; L443-Y494 HydrophobicContact CB-CD1 4.46Å; L443-Y494 HydrophobicContact CB-CD2 4.08Å; L443-Y494 HydrophobicContact CB-CG 3.97Å; L443-Y494 HydrophobicContact CD2-CD1 4.24Å; L443-Y494 HydrophobicContact CD2-CE1 4.3Å; L443-Y494 WeakPolarHBondContact O-CD2 3.48Å
444S91.2Very high90.6Very high48 Ų4843.6 Ų43.634%0.33624%0.238SC..  trans-122.6148.8176.165.40000111E440 L441 V442E440-S444 WeakPolarHBondContact O-CB 3.47Å; L441-S444 PolarHBondContact O-OG 3.32Å; V442-S444 VanDerWaalsContact C-N 3.3Å; V442-S444 PolarHBondContact O-N 2.96Å
445L88.6Confident90.6Very high24 Ų2444.9 Ų44.913%0.12625%0.251CS..  trans-113.4118.9173.1-68176000108.1Q447 A448 T451 I460 Y494 M497 L498L445-Q447 VanDerWaalsContact C-N 3.25Å; L445-Q447 PolarHBondContact O-N 3.02Å; L445-Q447 VanDerWaalsContact O-N 3.17Å; L445-A448 PolarHBondContact O-N 3.39Å; L445-A448 VanDerWaalsContact O-N 3.09Å; L445-T451 HydrophobicContact CD2-CG2 4.3Å; L445-I460 HydrophobicContact CD2-CD1 4.23Å; L445-I460 HydrophobicContact CD2-CG1 4.37Å; L445-Y494 HydrophobicContact CD2-CE2 3.96Å; L445-Y494 HydrophobicContact CG-CD2 4.33Å; L445-Y494 HydrophobicContact CG-CE2 3.88Å; L445-M497 HydrophobicContact CD1-CB 4.07Å; L445-M497 HydrophobicContact CD1-CG 3.75Å; L445-L498 HydrophobicContact CD1-CB 4.37Å
446P83.5Confident90.7Very high88 Ų8846.2 Ų46.257%0.57126%0.258SS*.THydrogen-bonded Turntrans-60.6-30.7-168.221.4-33000114.1T451P446-T451 HydrophobicContact CG-CG2 3.95Å
447Q84.6Confident90.7Very high120 Ų12047.8 Ų47.856%0.56127%0.265SS*.THydrogen-bonded Turntrans-120.523.5178.6-67162-10.800111.3L445 A449 E450 T451L445-Q447 VanDerWaalsContact C-N 3.25Å; L445-Q447 PolarHBondContact O-N 3.02Å; L445-Q447 VanDerWaalsContact O-N 3.17Å; Q447-A449 PolarHBondContact O-N 3.3Å; Q447-E450 HydrophobicContact CB-CB 4.25Å; Q447-E450 PolarHBondContact O-N 2.84Å; Q447-T451 PolarHBondContact N-OG1 2.97Å; Q447-T451 VanDerWaalsContact N-OG1 3.11Å
448A86.8Confident90.6Very high44 Ų4450 Ų5036%0.36428%0.276SS..G310 helixtrans47-124.6-174.400000111.1L445 E450 T451 M497 C501L445-A448 PolarHBondContact O-N 3.39Å; L445-A448 VanDerWaalsContact O-N 3.09Å; A448-E450 PolarHBondContact O-N 2.83Å; A448-E450 VanDerWaalsContact O-N 3.15Å; A448-T451 PolarHBondContact N-OG1 2.95Å; A448-T451 WeakPolarHBondContact O-CB 3.3Å; A448-T451 PolarHBondContact O-N 2.81Å; A448-T451 VanDerWaalsContact O-N 3.16Å; A448-T451 PolarHBondContact O-OG1 2.94Å; A448-M497 HydrophobicContact CB-CE 4.43Å; A448-M497 HydrophobicContact CB-CG 4.38Å; A448-M497 HydrophobicContact CB-SD 4.07Å; A448-C501 PolarHBondContact O-SG 3.1Å
449A83.8Confident90.6Very high28 Ų2850.7 Ų50.723%0.23128%0.279CS..G310 helixtrans-56-28-17900000114.4Q447 M497 V500 C501 M504Q447-A449 PolarHBondContact O-N 3.3Å; A449-M497 HydrophobicContact CB-SD 4.1Å; A449-V500 HydrophobicContact CB-CG1 4.23Å; A449-C501 VanDerWaalsContact C-SG 3.58Å; A449-C501 WeakPolarHBondContact CA-SG 3.39Å; A449-C501 PolarHBondContact O-SG 2.97Å; A449-C501 VanDerWaalsContact O-SG 3.34Å; A449-M504 HydrophobicContact CB-SD 4.37Å
450E83.8Confident90.7Very high161 Ų16150.9 Ų50.975%0.75228%0.279SS*.G310 helixtrans-91.20.1-175.2-61.3-179.1175.800113.4Q447 A448 D452Q447-E450 HydrophobicContact CB-CB 4.25Å; Q447-E450 PolarHBondContact O-N 2.84Å; A448-E450 PolarHBondContact O-N 2.83Å; A448-E450 VanDerWaalsContact O-N 3.15Å; E450-D452 PolarHBondContact O-N 3.02Å
451T88.2Confident90.7Very high1 Ų147.3 Ų47.31%0.00626%0.263CS..  trans-57.3127.2-179.4-58.50000111.3L445 P446 Q447 A448 L453 N456L445-T451 HydrophobicContact CD2-CG2 4.3Å; P446-T451 HydrophobicContact CG-CG2 3.95Å; Q447-T451 PolarHBondContact N-OG1 2.97Å; Q447-T451 VanDerWaalsContact N-OG1 3.11Å; A448-T451 PolarHBondContact N-OG1 2.95Å; A448-T451 WeakPolarHBondContact O-CB 3.3Å; A448-T451 PolarHBondContact O-N 2.81Å; A448-T451 VanDerWaalsContact O-N 3.16Å; A448-T451 PolarHBondContact O-OG1 2.94Å; T451-L453 PolarHBondContact O-N 2.94Å; T451-N456 HydrophobicContact CG2-CB 4.46Å
452D90.9Very high90.7Very high64 Ų6447.9 Ų47.934%0.34227%0.265SS..  trans-67.6105.3169.3-179.41000110.5E450 L454 T455 N456E450-D452 PolarHBondContact O-N 3.02Å; D452-L454 VanDerWaalsContact C-N 3.33Å; D452-L454 PolarHBondContact O-N 3.22Å; D452-L454 PolarHBondContact OD1-N 2.95Å; D452-T455 PolarHBondContact OD1-N 2.71Å; D452-T455 WeakPolarHBondContact OD2-CB 3.46Å; D452-T455 PolarHBondContact OD2-OG1 3.38Å; D452-N456 PolarHBondContact O-N 3.21Å; D452-N456 PolarHBondContact O-ND2 3.36Å
453L92.3Very high90.8Very high0 Ų047.9 Ų47.90%027%0.265CS..THydrogen-bonded Turntrans-65.6-31.7-179.2-64.6-179000113T451 N456 M457 I460 L498 C501 I502 F566 M569T451-L453 PolarHBondContact O-N 2.94Å; L453-N456 CarbonylContact O-C 3.58Å; L453-M457 WeakPolarHBondContact O-CA 3.27Å; L453-M457 PolarHBondContact O-N 3.11Å; L453-I460 HydrophobicContact CD2-CD1 3.66Å; L453-L498 HydrophobicContact CD2-CD1 3.75Å; L453-C501 HydrophobicContact CD1-CB 4.1Å; L453-C501 HydrophobicContact CD2-CB 3.91Å; L453-C501 HydrophobicContact CG-CB 4.22Å; L453-I502 HydrophobicContact CD1-CB 4.34Å; L453-I502 HydrophobicContact CD1-CG1 3.7Å; L453-F566 HydrophobicContact CB-CD1 4.2Å; L453-F566 HydrophobicContact CB-CE1 3.71Å; L453-F566 HydrophobicContact CD1-CD1 3.95Å; L453-F566 HydrophobicContact CD1-CE1 4.01Å; L453-F566 HydrophobicContact CG-CE1 4.49Å; L453-M569 HydrophobicContact CB-CE 4.38Å; L453-M569 HydrophobicContact CB-SD 4.29Å; L453-M569 HydrophobicContact CD1-SD 4.47Å; L453-M569 WeakPolarHBondContact O-CE 3.22Å
454L91.5Very high90.8Very high56 Ų5647.3 Ų47.329%0.29326%0.262SS..THydrogen-bonded Turntrans-73-45.2-177.9-62.3179.9000110.6D452 N456 M457 Y509 A562 T565 F566D452-L454 VanDerWaalsContact C-N 3.33Å; D452-L454 PolarHBondContact O-N 3.22Å; D452-L454 PolarHBondContact OD1-N 2.95Å; L454-N456 PolarHBondContact O-N 3.29Å; L454-M457 WeakPolarHBondContact O-CB 3.31Å; L454-M457 PolarHBondContact O-N 2.99Å; L454-Y509 HydrophobicContact CD1-CE1 4.08Å; L454-Y509 VanDerWaalsContact CD1-OH 3.31Å; L454-Y509 WeakPolarHBondContact CD1-OH 3.39Å; L454-A562 HydrophobicContact CD1-CB 3.6Å; L454-A562 HydrophobicContact CD2-CB 3.94Å; L454-A562 HydrophobicContact CG-CB 4.36Å; L454-T565 HydrophobicContact CD2-CG2 3.91Å; L454-F566 HydrophobicContact CD2-CD1 4.43Å; L454-F566 HydrophobicContact CD2-CE1 3.61Å; L454-F566 HydrophobicContact CD2-CZ 3.97Å; L454-F566 HydrophobicContact CG-CE1 3.98Å; L454-F566 HydrophobicContact CG-CZ 4.08Å
455T90.6Very high91Very high97 Ų9746.9 Ų46.960%0.59526%0.256SS*.THydrogen-bonded Turntrans-64.1-29.8176.6-61.40000112.1A403 D452A403-T455 WeakPolarHBondContact CB-O 3.4Å; D452-T455 PolarHBondContact OD1-N 2.71Å; D452-T455 WeakPolarHBondContact OD2-CB 3.46Å; D452-T455 PolarHBondContact OD2-OG1 3.38Å
456N92.3Very high91.3Very high29 Ų2945.9 Ų45.916%0.15525%0.25CS..THydrogen-bonded Turntrans-10110.6-179.1-69.2-83.6000114.2T451 D452 L453 L454 D458 K459 I460T451-N456 HydrophobicContact CG2-CB 4.46Å; D452-N456 PolarHBondContact O-N 3.21Å; D452-N456 PolarHBondContact O-ND2 3.36Å; L453-N456 CarbonylContact O-C 3.58Å; L454-N456 PolarHBondContact O-N 3.29Å; N456-D458 PolarHBondContact O-N 3.03Å; N456-K459 PolarHBondContact O-N 3.04Å; N456-I460 HydrophobicContact CB-CD1 3.85Å; N456-I460 HydrophobicContact CB-CG1 4.27Å; N456-I460 WeakPolarHBondContact O-CG1 3.13Å; N456-I460 PolarHBondContact O-N 3.47Å
457M93.5Very high91.7Very high58 Ų5841.7 Ų41.729%0.28622%0.223SC..Hα-helixtrans-55.3-49.5-170.9179-169.775.500112.3L453 L454 K459 I460 M461 T565 M569L453-M457 WeakPolarHBondContact O-CA 3.27Å; L453-M457 PolarHBondContact O-N 3.11Å; L454-M457 WeakPolarHBondContact O-CB 3.31Å; L454-M457 PolarHBondContact O-N 2.99Å; M457-K459 VanDerWaalsContact C-N 3.33Å; M457-K459 PolarHBondContact O-N 2.93Å; M457-I460 PolarHBondContact O-N 3.4Å; M457-M461 HydrophobicContact CG-CG 3.95Å; M457-M461 WeakPolarHBondContact O-CB 3.41Å; M457-M461 WeakPolarHBondContact O-CG 3.03Å; M457-M461 PolarHBondContact O-N 3.1Å; M457-T565 HydrophobicContact CB-CG2 4.39Å; M457-T565 HydrophobicContact CG-CG2 3.73Å; M457-T565 HydrophobicContact SD-CG2 3.37Å; M457-T565 WeakPolarHBondContact SD-CG2 3.31Å; M457-M569 HydrophobicContact CB-CE 3.8Å; M457-M569 HydrophobicContact CG-CE 3.66Å
458D92.3Very high92Very high82 Ų8241 Ų4144%0.43922%0.215SC..Hα-helixtrans-58.7-44.2-175.6-64.1-27.9000112.1N456 E462N456-D458 PolarHBondContact O-N 3.03Å; D458-E462 PolarHBondContact O-N 3.42Å; D458-E462 VanDerWaalsContact O-N 3.15Å
459K95.1Very high92.1Very high14 Ų1440 Ų406%0.06121%0.206CC..Hα-helixtrans-64.9-50.3175.9-176.9-169.7-174.2168.50111.2A403 E406 N456 M457 M461 E462 S463A403-K459 HydrophobicContact CB-CB 4.34Å; E406-K459 HydrophobicContact CB-CB 4.43Å; E406-K459 HydrophobicContact CB-CD 4.09Å; E406-K459 HydrophobicContact CB-CG 4.14Å; E406-K459 WeakPolarHBondContact OE2-CD 3.43Å; E406-K459 WeakPolarHBondContact OE2-CE 3.46Å; E406-K459 IonicContact OE2-NZ 2.97Å; E406-K459 PolarHBondContact OE2-NZ 2.98Å; N456-K459 PolarHBondContact O-N 3.04Å; M457-K459 VanDerWaalsContact C-N 3.33Å; M457-K459 PolarHBondContact O-N 2.93Å; K459-M461 VanDerWaalsContact C-N 3.3Å; K459-M461 PolarHBondContact O-N 3.1Å; K459-E462 PolarHBondContact O-N 3.26Å; K459-S463 WeakPolarHBondContact O-CB 3.5Å; K459-S463 PolarHBondContact O-N 3.2Å; K459-S463 PolarHBondContact O-OG 3.49Å; K459-S463 VanDerWaalsContact O-OG 3.05Å
460I95.6Very high92.3Very high4 Ų438.8 Ų38.82%0.02120%0.195CC..Hα-helixtrans-59.5-44-177.2-68.5168.8000110.5L445 L453 N456 M457 S463 L464 L498 M569L445-I460 HydrophobicContact CD2-CD1 4.23Å; L445-I460 HydrophobicContact CD2-CG1 4.37Å; L453-I460 HydrophobicContact CD2-CD1 3.66Å; N456-I460 HydrophobicContact CB-CD1 3.85Å; N456-I460 HydrophobicContact CB-CG1 4.27Å; N456-I460 WeakPolarHBondContact O-CG1 3.13Å; N456-I460 PolarHBondContact O-N 3.47Å; M457-I460 PolarHBondContact O-N 3.4Å; I460-S463 WeakPolarHBondContact O-CB 3.22Å; I460-S463 PolarHBondContact O-N 3.15Å; I460-L464 HydrophobicContact CG2-CD1 4Å; I460-L464 HydrophobicContact CG2-CG 4.43Å; I460-L464 WeakPolarHBondContact O-CG 3.46Å; I460-L464 PolarHBondContact O-N 3.16Å; I460-L498 HydrophobicContact CG2-CD1 4.2Å; I460-L498 HydrophobicContact CG2-CD2 4.15Å; I460-M569 HydrophobicContact CB-CE 4.36Å; I460-M569 HydrophobicContact CD1-CE 4.37Å; I460-M569 HydrophobicContact CG2-CE 4.23Å; I460-M569 HydrophobicContact CG2-CG 4.39Å; I460-M569 HydrophobicContact CG2-SD 4.09Å
461M94.8Very high92.4Very high29 Ų2931.5 Ų31.514%0.14316%0.161CC..Hα-helixtrans-62-46178.5-71.8-62.9-64.800111.8M457 K459 L464 N465 L568 M569 L572M457-M461 HydrophobicContact CG-CG 3.95Å; M457-M461 WeakPolarHBondContact O-CB 3.41Å; M457-M461 WeakPolarHBondContact O-CG 3.03Å; M457-M461 PolarHBondContact O-N 3.1Å; K459-M461 VanDerWaalsContact C-N 3.3Å; K459-M461 PolarHBondContact O-N 3.1Å; M461-L464 PolarHBondContact O-N 3.3Å; M461-N465 WeakPolarHBondContact O-CB 3.41Å; M461-N465 VanDerWaalsContact O-CG 3.29Å; M461-N465 PolarHBondContact O-N 2.99Å; M461-N465 PolarHBondContact O-ND2 2.9Å; M461-N465 VanDerWaalsContact O-ND2 3.15Å; M461-L568 HydrophobicContact CE-CD1 4.35Å; M461-L568 HydrophobicContact CE-CD2 3.54Å; M461-L568 HydrophobicContact CE-CG 3.68Å; M461-L568 HydrophobicContact SD-CD2 4.21Å; M461-L568 HydrophobicContact SD-CG 4.19Å; M461-M569 HydrophobicContact SD-CG 3.98Å; M461-L572 HydrophobicContact CE-CD1 3.41Å; M461-L572 VanDerWaalsContact CE-CD1 3.41Å; M461-L572 HydrophobicContact SD-CD1 3.75Å
462E96.4Very high92.2Very high47 Ų4735.8 Ų35.822%0.2218%0.183CC..Hα-helixtrans-66.9-36.8175.7-72.7-58.4134.300112.5V410 R414 D458 K459 N465 L466V410-E462 HydrophobicContact CB-CB 4.01Å; V410-E462 HydrophobicContact CG1-CB 3.84Å; R414-E462 IonicContact CZ-OE2 2.65Å; R414-E462 IonicContact NH2-OE2 2.76Å; R414-E462 PolarHBondContact NH2-OE2 3.13Å; D458-E462 PolarHBondContact O-N 3.42Å; D458-E462 VanDerWaalsContact O-N 3.15Å; K459-E462 PolarHBondContact O-N 3.26Å; E462-N465 PolarHBondContact O-N 3.34Å; E462-L466 WeakPolarHBondContact O-CB 3.37Å; E462-L466 PolarHBondContact O-N 3.47Å
463S96.4Very high91.6Very high0 Ų035.8 Ų35.80%018%0.178CC..Hα-helixtrans-61.6-45.9174.4-68.70000112.3V442 K459 I460 L466 L467V442-S463 VanDerWaalsContact CG1-OG 3.22Å; V442-S463 WeakPolarHBondContact CG1-OG 3.29Å; V442-S463 PolarHBondContact O-OG 3.17Å; K459-S463 WeakPolarHBondContact O-CB 3.5Å; K459-S463 PolarHBondContact O-N 3.2Å; K459-S463 PolarHBondContact O-OG 3.49Å; K459-S463 VanDerWaalsContact O-OG 3.05Å; I460-S463 WeakPolarHBondContact O-CB 3.22Å; I460-S463 PolarHBondContact O-N 3.15Å; S463-L466 WeakPolarHBondContact O-CB 3.33Å; S463-L466 PolarHBondContact O-N 3.38Å; S463-L467 PolarHBondContact O-N 3.29Å
464L95.8Very high90.5Very high0 Ų036.3 Ų36.30%018%0.18CC..Hα-helixtrans-64.4-40.4175.3-69.9171.2000111.4I460 M461 L466 L467 R468 Y494 L495 L498 L572 V573 I576I460-L464 HydrophobicContact CG2-CD1 4Å; I460-L464 HydrophobicContact CG2-CG 4.43Å; I460-L464 WeakPolarHBondContact O-CG 3.46Å; I460-L464 PolarHBondContact O-N 3.16Å; M461-L464 PolarHBondContact O-N 3.3Å; L464-L466 VanDerWaalsContact C-N 3.33Å; L464-L466 PolarHBondContact O-N 3.01Å; L464-L467 PolarHBondContact O-N 2.8Å; L464-R468 WeakPolarHBondContact O-CB 3.28Å; L464-R468 PolarHBondContact O-N 3.31Å; L464-Y494 HydrophobicContact CD2-CE1 4.08Å; L464-L495 HydrophobicContact CD2-CD2 3.81Å; L464-L498 HydrophobicContact CD1-CD2 4.08Å; L464-L498 HydrophobicContact CD2-CD2 3.92Å; L464-L498 HydrophobicContact CG-CD2 4.33Å; L464-L572 HydrophobicContact CB-CB 4.23Å; L464-L572 HydrophobicContact CB-CD1 4.06Å; L464-L572 HydrophobicContact CD1-CB 3.96Å; L464-L572 HydrophobicContact CD1-CD1 4.17Å; L464-V573 HydrophobicContact CD1-CG2 4.39Å; L464-V573 HydrophobicContact CD2-CG2 4Å; L464-I576 HydrophobicContact CB-CD1 4.18Å; L464-I576 HydrophobicContact CD2-CD1 3.72Å
465N94.6Very high89.5Confident39 Ų3941.7 Ų41.721%0.20920%0.202CC..Hα-helixtrans-65.5-35.4175.6-77.7-35.6000112.7M461 E462 C469M461-N465 WeakPolarHBondContact O-CB 3.41Å; M461-N465 VanDerWaalsContact O-CG 3.29Å; M461-N465 PolarHBondContact O-N 2.99Å; M461-N465 PolarHBondContact O-ND2 2.9Å; M461-N465 VanDerWaalsContact O-ND2 3.15Å; E462-N465 PolarHBondContact O-N 3.34Å; N465-C469 WeakPolarHBondContact O-CB 3.14Å; N465-C469 PolarHBondContact O-N 3.48Å
466L94.7Very high88.4Confident2 Ų241.9 Ų41.91%0.0120%0.196CC..Hα-helixtrans-64-50.4171.8172.664000110.8V410 I413 R414 I417 L439 V442 E462 S463 L464 R468 C469 L470V410-L466 HydrophobicContact CG1-CB 4.15Å; V410-L466 HydrophobicContact CG1-CD2 4.16Å; I413-L466 HydrophobicContact CG2-CD2 4.42Å; R414-L466 HydrophobicContact CB-CD1 3.8Å; R414-L466 HydrophobicContact CG-CD1 4.12Å; I417-L466 HydrophobicContact CD1-CD1 3.76Å; L439-L466 HydrophobicContact CD2-CD2 3.82Å; V442-L466 HydrophobicContact CG1-CD2 3.86Å; E462-L466 WeakPolarHBondContact O-CB 3.37Å; E462-L466 PolarHBondContact O-N 3.47Å; S463-L466 WeakPolarHBondContact O-CB 3.33Å; S463-L466 PolarHBondContact O-N 3.38Å; L464-L466 VanDerWaalsContact C-N 3.33Å; L464-L466 PolarHBondContact O-N 3.01Å; L466-R468 VanDerWaalsContact C-N 3.33Å; L466-R468 PolarHBondContact O-N 2.86Å; L466-C469 WeakPolarHBondContact O-CA 3.38Å; L466-C469 WeakPolarHBondContact O-CB 3.33Å; L466-C469 PolarHBondContact O-N 3.34Å; L466-L470 HydrophobicContact CD1-CD1 4.27Å; L466-L470 HydrophobicContact CD1-CG 4.27Å; L466-L470 HydrophobicContact CG-CD1 4.19Å; L466-L470 WeakPolarHBondContact O-CG 3.38Å; L466-L470 PolarHBondContact O-N 3.31Å
467L93Very high87.2Confident1 Ų141.1 Ų41.11%0.00519%0.191CC..Hα-helixtrans-54.9-48.7176.6-85.9177.1000111.9L443 S463 L464 C469 L470 L471 K491 Y494 L495 I576L443-L467 HydrophobicContact CD1-CD1 4.16Å; L443-L467 HydrophobicContact CD1-CD2 3.52Å; L443-L467 HydrophobicContact CD1-CG 3.9Å; L443-L467 HydrophobicContact CD2-CD1 3.69Å; L443-L467 HydrophobicContact CD2-CD2 4.28Å; L443-L467 HydrophobicContact CD2-CG 3.68Å; L443-L467 HydrophobicContact CG-CG 4.46Å; S463-L467 PolarHBondContact O-N 3.29Å; L464-L467 PolarHBondContact O-N 2.8Å; L467-C469 VanDerWaalsContact C-N 3.26Å; L467-C469 PolarHBondContact O-N 3.28Å; L467-L470 PolarHBondContact O-N 3.21Å; L467-L470 VanDerWaalsContact O-N 3.17Å; L467-L471 WeakPolarHBondContact O-CG 3.24Å; L467-L471 PolarHBondContact O-N 3.02Å; L467-K491 HydrophobicContact CD1-CG 4.29Å; L467-K491 HydrophobicContact CD2-CB 3.96Å; L467-K491 HydrophobicContact CD2-CG 3.98Å; L467-Y494 HydrophobicContact CD1-CD1 3.99Å; L467-Y494 HydrophobicContact CD1-CE1 4.37Å; L467-L495 HydrophobicContact CD1-CD2 4.4Å; L467-I576 HydrophobicContact CB-CD1 4.07Å
468R91Very high85.8Confident104 Ų10442.1 Ų42.139%0.39219%0.194SC..Hα-helixtrans-55.6-43.2175.1-179.3-179.7169.6-175.7-1.4111.5L464 L466 M472 I576 I579L464-R468 WeakPolarHBondContact O-CB 3.28Å; L464-R468 PolarHBondContact O-N 3.31Å; L466-R468 VanDerWaalsContact C-N 3.33Å; L466-R468 PolarHBondContact O-N 2.86Å; R468-M472 WeakPolarHBondContact O-CG 3.2Å; R468-M472 PolarHBondContact O-N 2.9Å; R468-I576 HydrophobicContact CB-CG1 4.12Å; R468-I579 HydrophobicContact CG-CD1 3.8Å
469C88.1Confident84.6Confident23 Ų2343.6 Ų43.616%0.15521%0.211CC..Hα-helixtrans-64.3-41.3178.6-174.20000112.5R414 Q418 N465 L466 L467R414-C469 HydrophobicContact CG-CB 4.44Å; Q418-C469 PolarHBondContact NE2-SG 3.34Å; N465-C469 WeakPolarHBondContact O-CB 3.14Å; N465-C469 PolarHBondContact O-N 3.48Å; L466-C469 WeakPolarHBondContact O-CA 3.38Å; L466-C469 WeakPolarHBondContact O-CB 3.33Å; L466-C469 PolarHBondContact O-N 3.34Å; L467-C469 VanDerWaalsContact C-N 3.26Å; L467-C469 PolarHBondContact O-N 3.28Å
470L88.1Confident83.7Confident3 Ų345.8 Ų45.82%0.01622%0.223CC..Hα-helixtrans-64.6-47.4178.8-70.4171.3000111.5I417 L435 L439 L466 L467 M472 R473 M477I417-L470 HydrophobicContact CD1-CD2 4.27Å; I417-L470 HydrophobicContact CG2-CD2 3.98Å; L435-L470 HydrophobicContact CD2-CD2 4.43Å; L439-L470 HydrophobicContact CD1-CD1 4.15Å; L439-L470 HydrophobicContact CD2-CD1 3.83Å; L466-L470 HydrophobicContact CD1-CD1 4.27Å; L466-L470 HydrophobicContact CD1-CG 4.27Å; L466-L470 HydrophobicContact CG-CD1 4.19Å; L466-L470 WeakPolarHBondContact O-CG 3.38Å; L466-L470 PolarHBondContact O-N 3.31Å; L467-L470 PolarHBondContact O-N 3.21Å; L467-L470 VanDerWaalsContact O-N 3.17Å; L470-M472 VanDerWaalsContact C-N 3.34Å; L470-M472 PolarHBondContact O-N 3.31Å; L470-R473 CarbonylContact O-C 3.46Å; L470-R473 PolarHBondContact O-N 3.01Å; L470-R473 VanDerWaalsContact O-N 3.12Å; L470-M477 HydrophobicContact CD2-CE 4.14Å; L470-M477 HydrophobicContact CD2-SD 4.36Å
471L85.8Confident83Confident8 Ų848.9 Ų48.94%0.04225%0.25CC..Hα-helixtrans-68.8-30.6-177.3-65.6171000113.6L467 R473 W484 K491 I576 I579L467-L471 WeakPolarHBondContact O-CG 3.24Å; L467-L471 PolarHBondContact O-N 3.02Å; L471-R473 PolarHBondContact O-N 3.24Å; L471-W484 HydrophobicContact CD2-CH2 3.87Å; L471-W484 HydrophobicContact CD2-CZ2 4.25Å; L471-K491 HydrophobicContact CD1-CD 4.02Å; L471-K491 HydrophobicContact CD2-CD 4.35Å; L471-I576 HydrophobicContact CD1-CG2 3.55Å; L471-I579 HydrophobicContact CB-CG2 3.86Å
472M84.4Confident82.4Confident92 Ų9253.5 Ų53.545%0.45328%0.275SS..Hα-helixtrans-65.4-26.7174.4-73.6-64.6-63.900112.6R468 L470 I579 K583R468-M472 WeakPolarHBondContact O-CG 3.2Å; R468-M472 PolarHBondContact O-N 2.9Å; L470-M472 VanDerWaalsContact C-N 3.34Å; L470-M472 PolarHBondContact O-N 3.31Å; M472-I579 HydrophobicContact CG-CD1 4.05Å; M472-I579 HydrophobicContact CG-CG2 4.41Å; M472-I579 HydrophobicContact SD-CD1 3.68Å; M472-I579 HydrophobicContact SD-CG1 3.81Å; M472-I579 HydrophobicContact SD-CG2 3.84Å; M472-K583 PolarHBondContact O-NZ 3.18Å
473R76.9Confident81.9Confident64 Ų6451.6 Ų51.624%0.24227%0.266CS..THydrogen-bonded Turntrans-106.638.1-177.6-60.4-171.5-175.1-169.62.8112.4L470 L471 K475 E476 M477L470-R473 CarbonylContact O-C 3.46Å; L470-R473 PolarHBondContact O-N 3.01Å; L470-R473 VanDerWaalsContact O-N 3.12Å; L471-R473 PolarHBondContact O-N 3.24Å; R473-K475 PolarHBondContact O-N 3.12Å; R473-E476 VanDerWaalsContact C-OE2 3.29Å; R473-E476 WeakPolarHBondContact CA-OE2 3.5Å; R473-E476 WeakPolarHBondContact CB-OE2 3.41Å; R473-E476 PolarHBondContact O-N 2.85Å; R473-E476 VanDerWaalsContact O-OE2 3.07Å; R473-M477 WeakPolarHBondContact O-CG 3.38Å; R473-M477 PolarHBondContact O-N 2.78Å
474D70.3Confident81.4Confident10 Ų1053.5 Ų53.55%0.05327%0.274CS..Hα-helixtrans-58.4-31.7-177.470.2-49.2000113.4E476 M477 K478 W484 K583D474-E476 PolarHBondContact O-N 3.25Å; D474-M477 PolarHBondContact O-N 2.78Å; D474-K478 HydrophobicContact CB-CD 4.41Å; D474-K478 VanDerWaalsContact O-CB 3.27Å; D474-K478 WeakPolarHBondContact O-CB 3.34Å; D474-K478 WeakPolarHBondContact O-CD 3.22Å; D474-K478 WeakPolarHBondContact O-CG 3.33Å; D474-K478 PolarHBondContact O-N 3.36Å; D474-K478 IonicContact OD2-NZ 3Å; D474-K478 PolarHBondContact OD2-NZ 3.05Å; D474-W484 HydrophobicContact CB-CH2 3.72Å; D474-W484 HydrophobicContact CB-CZ2 3.96Å; D474-W484 HydrophobicContact CB-CZ3 4.5Å; D474-K583 WeakPolarHBondContact OD1-CE 3.4Å; D474-K583 IonicContact OD1-NZ 3.16Å; D474-K583 PolarHBondContact OD1-NZ 3.22Å
475K70.4Confident81Confident170 Ų17060.1 Ų60.174%0.73931%0.305SS*.Hα-helixtrans-64.7-40.1-178.7-67.8-173.7177.1-173.60112.7R473R473-K475 PolarHBondContact O-N 3.12Å
476E67.6Low80.8Confident100 Ų10060 Ų6047%0.46730%0.303SS..Hα-helixtrans-77.9-26.7179.1-59.984.4176.100112I421 R473 D474 S479I421-E476 HydrophobicContact CG2-CB 4.26Å; I421-E476 HydrophobicContact CG2-CG 3.97Å; R473-E476 VanDerWaalsContact C-OE2 3.29Å; R473-E476 WeakPolarHBondContact CA-OE2 3.5Å; R473-E476 WeakPolarHBondContact CB-OE2 3.41Å; R473-E476 PolarHBondContact O-N 2.85Å; R473-E476 VanDerWaalsContact O-OE2 3.07Å; D474-E476 PolarHBondContact O-N 3.25Å; E476-S479 PolarHBondContact O-OG 3.37Å
477M66.5Low80.5Confident14 Ų1460.1 Ų60.17%0.06930%0.303CS..Hα-helixtrans-87.8-23.9-178.4-65.1-68.5155.900113.8I417 I421 L431 L470 R473 D474 S479 W484I417-M477 HydrophobicContact CG2-CE 3.86Å; I421-M477 HydrophobicContact CD1-CE 3.39Å; I421-M477 HydrophobicContact CG1-CE 3.92Å; L431-M477 HydrophobicContact CD2-CE 3.62Å; L431-M477 HydrophobicContact CD2-SD 4.3Å; L470-M477 HydrophobicContact CD2-CE 4.14Å; L470-M477 HydrophobicContact CD2-SD 4.36Å; R473-M477 WeakPolarHBondContact O-CG 3.38Å; R473-M477 PolarHBondContact O-N 2.78Å; D474-M477 PolarHBondContact O-N 2.78Å; M477-S479 PolarHBondContact O-N 2.95Å; M477-W484 HydrophobicContact CB-CE3 3.53Å; M477-W484 HydrophobicContact CB-CZ3 3.5Å; M477-W484 HydrophobicContact CG-CZ3 4.23Å
478K64.1Low80.3Confident79 Ų7961.5 Ų61.534%0.34331%0.312SS..THydrogen-bonded Turntrans-75.63.4177.8-78.4169.5177.7170.80114.4D474 D480 W484D474-K478 HydrophobicContact CB-CD 4.41Å; D474-K478 VanDerWaalsContact O-CB 3.27Å; D474-K478 WeakPolarHBondContact O-CB 3.34Å; D474-K478 WeakPolarHBondContact O-CD 3.22Å; D474-K478 WeakPolarHBondContact O-CG 3.33Å; D474-K478 PolarHBondContact O-N 3.36Å; D474-K478 IonicContact OD2-NZ 3Å; D474-K478 PolarHBondContact OD2-NZ 3.05Å; K478-D480 PolarHBondContact O-N 3.18Å; K478-W484 HydrophobicContact CG-CD2 4Å; K478-W484 HydrophobicContact CG-CG 3.98Å
479S68.1Low80.4Confident112 Ų11262.7 Ų62.778%0.78332%0.317SS*.THydrogen-bonded Turntrans-62.1-26.7176.457.60000112.5E476 M477E476-S479 PolarHBondContact O-OG 3.37Å; M477-S479 PolarHBondContact O-N 2.95Å
480D75.8Confident80.6Confident60 Ų6062.2 Ų62.232%0.32131%0.313SS..SBendtrans-120.7107.6173.6-172.4-31.8000108.4K478 D482 V483 W484K478-D480 PolarHBondContact O-N 3.18Å; D480-D482 VanDerWaalsContact C-N 3.33Å; D480-D482 PolarHBondContact O-N 3.44Å; D480-D482 PolarHBondContact OD1-N 2.95Å; D480-V483 HydrophobicContact CB-CB 4.05Å; D480-V483 HydrophobicContact CB-CG2 4.06Å; D480-V483 VanDerWaalsContact CG-CG2 3.43Å; D480-V483 PolarHBondContact OD1-N 3.41Å; D480-V483 WeakPolarHBondContact OD2-CG2 3.26Å; D480-W484 WeakPolarHBondContact O-CB 3.08Å; D480-W484 PolarHBondContact O-N 3.16Å; D480-W484 VanDerWaalsContact O-N 3.11Å
481A80Confident80.8Confident70 Ų7062.5 Ų62.558%0.57931%0.314SS*.Hα-helixtrans-66-36.4-174.600000112.1W484 E485A481-W484 PolarHBondContact O-N 3.1Å; A481-E485 PolarHBondContact O-N 2.83Å
482D83Confident81.2Confident125 Ų12566.2 Ų66.267%0.66833%0.334SS*.Hα-helixtrans-70.4-42.8-177.1-63.9-16000110.1D480 W484 E485 E486D480-D482 VanDerWaalsContact C-N 3.33Å; D480-D482 PolarHBondContact O-N 3.44Å; D480-D482 PolarHBondContact OD1-N 2.95Å; D482-W484 VanDerWaalsContact C-N 3.33Å; D482-W484 PolarHBondContact O-N 3Å; D482-E485 PolarHBondContact O-N 3.33Å; D482-E486 PolarHBondContact O-N 3.04Å; D482-E486 VanDerWaalsContact O-N 3.1Å
483V84.4Confident81.6Confident7 Ų767.8 Ų67.84%0.04234%0.34CS..Hα-helixtrans-63.2-40.9174.4174.10000111.1T433 L436 D480 E486 I487T433-V483 HydrophobicContact CG2-CG2 3.76Å; L436-V483 HydrophobicContact CD2-CG1 4.15Å; L436-V483 HydrophobicContact CG-CG1 4.46Å; D480-V483 HydrophobicContact CB-CB 4.05Å; D480-V483 HydrophobicContact CB-CG2 4.06Å; D480-V483 VanDerWaalsContact CG-CG2 3.43Å; D480-V483 PolarHBondContact OD1-N 3.41Å; D480-V483 WeakPolarHBondContact OD2-CG2 3.26Å; V483-E486 PolarHBondContact O-N 3.36Å; V483-I487 HydrophobicContact CG1-CD1 3.97Å; V483-I487 VanDerWaalsContact O-CG1 3.29Å; V483-I487 WeakPolarHBondContact O-CG1 3.39Å; V483-I487 PolarHBondContact O-N 2.96Å
484W86.4Confident82.5Confident41 Ų4165.1 Ų65.116%0.15533%0.33CS..Hα-helixtrans-66.8-40.5179-177.9-102.6000113L471 D474 M477 K478 D480 A481 D482 E486 I487 C488L471-W484 HydrophobicContact CD2-CH2 3.87Å; L471-W484 HydrophobicContact CD2-CZ2 4.25Å; D474-W484 HydrophobicContact CB-CH2 3.72Å; D474-W484 HydrophobicContact CB-CZ2 3.96Å; D474-W484 HydrophobicContact CB-CZ3 4.5Å; M477-W484 HydrophobicContact CB-CE3 3.53Å; M477-W484 HydrophobicContact CB-CZ3 3.5Å; M477-W484 HydrophobicContact CG-CZ3 4.23Å; K478-W484 HydrophobicContact CG-CD2 4Å; K478-W484 HydrophobicContact CG-CG 3.98Å; D480-W484 WeakPolarHBondContact O-CB 3.08Å; D480-W484 PolarHBondContact O-N 3.16Å; D480-W484 VanDerWaalsContact O-N 3.11Å; A481-W484 PolarHBondContact O-N 3.1Å; D482-W484 VanDerWaalsContact C-N 3.33Å; D482-W484 PolarHBondContact O-N 3Å; W484-E486 VanDerWaalsContact C-N 3.32Å; W484-I487 PolarHBondContact O-N 3.06Å; W484-C488 PolarHBondContact O-N 2.62Å; W484-C488 PolarHBondContact O-SG 3.27Å
485E87.7Confident83.6Confident139 Ų13964.7 Ų64.765%0.6533%0.328SS*.Hα-helixtrans-60.3-44.1174.6-174.8173-178.600110.9A481 D482 C488 R489A481-E485 PolarHBondContact O-N 2.83Å; D482-E485 PolarHBondContact O-N 3.33Å; E485-C488 WeakPolarHBondContact O-CB 3.19Å; E485-C488 PolarHBondContact O-N 2.96Å; E485-R489 PolarHBondContact O-N 3.48Å
486E89.8Confident84.7Confident37 Ų3763.9 Ų63.917%0.17332%0.324CS..Hα-helixtrans-64.9-42178.2-173.250.8-134.300112.6L436 D482 V483 W484 C488 R489 I490L436-E486 HydrophobicContact CD1-CB 4.2Å; L436-E486 HydrophobicContact CD1-CG 3.86Å; L436-E486 HydrophobicContact CD2-CB 4.06Å; L436-E486 HydrophobicContact CD2-CG 3.84Å; L436-E486 HydrophobicContact CG-CG 4.37Å; D482-E486 PolarHBondContact O-N 3.04Å; D482-E486 VanDerWaalsContact O-N 3.1Å; V483-E486 PolarHBondContact O-N 3.36Å; W484-E486 VanDerWaalsContact C-N 3.32Å; E486-C488 VanDerWaalsContact C-N 3.27Å; E486-C488 PolarHBondContact O-N 3.05Å; E486-R489 VanDerWaalsContact CD-NE 3.28Å; E486-R489 WeakPolarHBondContact O-CB 3.46Å; E486-R489 PolarHBondContact O-N 3.06Å; E486-R489 VanDerWaalsContact O-N 3.16Å; E486-R489 IonicContact OE1-CZ 2.84Å; E486-R489 IonicContact OE1-NE 3.53Å; E486-R489 PolarHBondContact OE1-NE 3.4Å; E486-R489 IonicContact OE1-NH2 3.6Å; E486-R489 PolarHBondContact OE1-NH2 3.33Å; E486-R489 IonicContact OE2-CZ 3.05Å; E486-R489 IonicContact OE2-NE 3.2Å; E486-R489 PolarHBondContact OE2-NE 3.5Å; E486-R489 IonicContact OE2-NH1 2.83Å; E486-R489 IonicContact OE2-NH2 2.65Å; E486-R489 PolarHBondContact OE2-NH2 3.23Å; E486-I490 HydrophobicContact CG-CD1 4.23Å; E486-I490 WeakPolarHBondContact O-CG1 3.22Å; E486-I490 PolarHBondContact O-N 3.24Å; E486-I490 WeakPolarHBondContact OE1-CG1 3.35Å
487I89.4Confident86Confident4 Ų462.6 Ų62.62%0.02132%0.319CS..Hα-helixtrans-59.1-41.8173.4-69.3169.8000110.7L436 L439 V483 W484 R489 K491L436-I487 HydrophobicContact CD2-CG1 3.74Å; L439-I487 HydrophobicContact CD1-CD1 4.21Å; L439-I487 HydrophobicContact CD1-CG1 3.81Å; V483-I487 HydrophobicContact CG1-CD1 3.97Å; V483-I487 VanDerWaalsContact O-CG1 3.29Å; V483-I487 WeakPolarHBondContact O-CG1 3.39Å; V483-I487 PolarHBondContact O-N 2.96Å; W484-I487 PolarHBondContact O-N 3.06Å; I487-R489 VanDerWaalsContact C-N 3.34Å; I487-K491 VanDerWaalsContact O-CB 3.23Å; I487-K491 WeakPolarHBondContact O-CB 3.16Å; I487-K491 PolarHBondContact O-N 3.19Å
488C89Confident87.3Confident29 Ų2962 Ų6220%0.19632%0.316CS..Hα-helixtrans-63-42.1177.1-68.80000111.3W484 E485 E486 K491 D492W484-C488 PolarHBondContact O-N 2.62Å; W484-C488 PolarHBondContact O-SG 3.27Å; E485-C488 WeakPolarHBondContact O-CB 3.19Å; E485-C488 PolarHBondContact O-N 2.96Å; E486-C488 VanDerWaalsContact C-N 3.27Å; E486-C488 PolarHBondContact O-N 3.05Å; C488-K491 PolarHBondContact O-N 2.68Å; C488-D492 WeakPolarHBondContact O-CB 3.24Å; C488-D492 PolarHBondContact O-N 2.89Å
489R93.1Very high88.8Confident129 Ų12962.8 Ų62.849%0.48732%0.317SS..Hα-helixtrans-59.1-53.8175.9-172.9-177.475.6162.85.9111.8E485 E486 I487 K491 D492 E493E485-R489 PolarHBondContact O-N 3.48Å; E486-R489 VanDerWaalsContact CD-NE 3.28Å; E486-R489 WeakPolarHBondContact O-CB 3.46Å; E486-R489 PolarHBondContact O-N 3.06Å; E486-R489 VanDerWaalsContact O-N 3.16Å; E486-R489 IonicContact OE1-CZ 2.84Å; E486-R489 IonicContact OE1-NE 3.53Å; E486-R489 PolarHBondContact OE1-NE 3.4Å; E486-R489 IonicContact OE1-NH2 3.6Å; E486-R489 PolarHBondContact OE1-NH2 3.33Å; E486-R489 IonicContact OE2-CZ 3.05Å; E486-R489 IonicContact OE2-NE 3.2Å; E486-R489 PolarHBondContact OE2-NE 3.5Å; E486-R489 IonicContact OE2-NH1 2.83Å; E486-R489 IonicContact OE2-NH2 2.65Å; E486-R489 PolarHBondContact OE2-NH2 3.23Å; I487-R489 VanDerWaalsContact C-N 3.34Å; R489-K491 VanDerWaalsContact C-N 3.28Å; R489-K491 PolarHBondContact O-N 3.33Å; R489-D492 PolarHBondContact O-N 3.43Å; R489-E493 WeakPolarHBondContact O-CG 3.23Å; R489-E493 PolarHBondContact O-N 3.32Å
490I92.2Very high90Very high14 Ų1460.6 Ų60.67%0.07230%0.299CS..Hα-helixtrans-57.6-44.7179.2-63.2166.9000110.4L436 L439 E440 L443 E486 Y494L436-I490 HydrophobicContact CD2-CD1 4.46Å; L439-I490 HydrophobicContact CB-CD1 4.47Å; E440-I490 HydrophobicContact CG-CD1 3.85Å; E440-I490 HydrophobicContact CG-CG1 4.48Å; L443-I490 HydrophobicContact CB-CG2 3.85Å; L443-I490 HydrophobicContact CD1-CG2 3.69Å; L443-I490 HydrophobicContact CG-CG2 4.36Å; E486-I490 HydrophobicContact CG-CD1 4.23Å; E486-I490 WeakPolarHBondContact O-CG1 3.22Å; E486-I490 PolarHBondContact O-N 3.24Å; E486-I490 WeakPolarHBondContact OE1-CG1 3.35Å; I490-Y494 VanDerWaalsContact O-CB 3.3Å; I490-Y494 WeakPolarHBondContact O-CB 3.42Å; I490-Y494 PolarHBondContact O-N 3.5Å
491K92.5Very high90.8Very high9 Ų957.8 Ų57.84%0.03928%0.283CS..Hα-helixtrans-59.1-50177.2174.9-137.465.7172.70111.3L467 L471 I487 C488 R489 Y494 L495L467-K491 HydrophobicContact CD1-CG 4.29Å; L467-K491 HydrophobicContact CD2-CB 3.96Å; L467-K491 HydrophobicContact CD2-CG 3.98Å; L471-K491 HydrophobicContact CD1-CD 4.02Å; L471-K491 HydrophobicContact CD2-CD 4.35Å; I487-K491 VanDerWaalsContact O-CB 3.23Å; I487-K491 WeakPolarHBondContact O-CB 3.16Å; I487-K491 PolarHBondContact O-N 3.19Å; C488-K491 PolarHBondContact O-N 2.68Å; R489-K491 VanDerWaalsContact C-N 3.28Å; R489-K491 PolarHBondContact O-N 3.33Å; K491-Y494 PolarHBondContact O-N 3.44Å; K491-L495 HydrophobicContact CD-CD1 4.25Å; K491-L495 HydrophobicContact CG-CD1 3.83Å; K491-L495 HydrophobicContact CG-CG 4.35Å; K491-L495 WeakPolarHBondContact O-CB 3.4Å; K491-L495 VanDerWaalsContact O-CG 3.26Å; K491-L495 WeakPolarHBondContact O-CG 3.39Å; K491-L495 PolarHBondContact O-N 3.28Å
492D93Very high91.5Very high86 Ų8654.5 Ų54.546%0.4626%0.256SS..Hα-helixtrans-64.5-41.4-177.3-73.8-30.8000112.1C488 R489 K496C488-D492 WeakPolarHBondContact O-CB 3.24Å; C488-D492 PolarHBondContact O-N 2.89Å; R489-D492 PolarHBondContact O-N 3.43Å; D492-K496 WeakPolarHBondContact O-CB 3.45Å; D492-K496 PolarHBondContact O-N 2.86Å
493E93.3Very high92Very high125 Ų12551.8 Ų51.858%0.58425%0.247SC*.Hα-helixtrans-62.5-47.6175.4-71.4-175.8178.200112R489 M497R489-E493 WeakPolarHBondContact O-CG 3.23Å; R489-E493 PolarHBondContact O-N 3.32Å; E493-M497 PolarHBondContact O-N 3.34Å; E493-M497 VanDerWaalsContact O-N 3.09Å
494Y94.9Very high92.4Very high8 Ų856.5 Ų56.53%0.03127%0.27CS..Hα-helixtrans-62.3-51178.9177.5-105.3000112.3L443 L445 L464 L467 I490 K491 K496 M497 L498L443-Y494 HydrophobicContact CB-CD1 4.46Å; L443-Y494 HydrophobicContact CB-CD2 4.08Å; L443-Y494 HydrophobicContact CB-CG 3.97Å; L443-Y494 HydrophobicContact CD2-CD1 4.24Å; L443-Y494 HydrophobicContact CD2-CE1 4.3Å; L443-Y494 WeakPolarHBondContact O-CD2 3.48Å; L445-Y494 HydrophobicContact CD2-CE2 3.96Å; L445-Y494 HydrophobicContact CG-CD2 4.33Å; L445-Y494 HydrophobicContact CG-CE2 3.88Å; L464-Y494 HydrophobicContact CD2-CE1 4.08Å; L467-Y494 HydrophobicContact CD1-CD1 3.99Å; L467-Y494 HydrophobicContact CD1-CE1 4.37Å; I490-Y494 VanDerWaalsContact O-CB 3.3Å; I490-Y494 WeakPolarHBondContact O-CB 3.42Å; I490-Y494 PolarHBondContact O-N 3.5Å; K491-Y494 PolarHBondContact O-N 3.44Å; Y494-K496 VanDerWaalsContact C-N 3.33Å; Y494-K496 PolarHBondContact O-N 2.91Å; Y494-M497 PolarHBondContact O-N 3.06Å; Y494-L498 HydrophobicContact CE1-CD2 4.04Å; Y494-L498 WeakPolarHBondContact O-CB 3.45Å; Y494-L498 PolarHBondContact O-N 3.46Å
495L94.8Very high92.7Very high1 Ų155.6 Ų55.61%0.00527%0.27CS..Hα-helixtrans-64.4-38.5-178.5-67.2179.1000111.7L464 L467 K491 L498 R499 V573 I576L464-L495 HydrophobicContact CD2-CD2 3.81Å; L467-L495 HydrophobicContact CD1-CD2 4.4Å; K491-L495 HydrophobicContact CD-CD1 4.25Å; K491-L495 HydrophobicContact CG-CD1 3.83Å; K491-L495 HydrophobicContact CG-CG 4.35Å; K491-L495 WeakPolarHBondContact O-CB 3.4Å; K491-L495 VanDerWaalsContact O-CG 3.26Å; K491-L495 WeakPolarHBondContact O-CG 3.39Å; K491-L495 PolarHBondContact O-N 3.28Å; L495-L498 PolarHBondContact O-N 3.34Å; L495-R499 WeakPolarHBondContact O-CG 3.49Å; L495-R499 PolarHBondContact O-N 3.47Å; L495-V573 HydrophobicContact CD2-CG1 4.27Å; L495-V573 HydrophobicContact CD2-CG2 4.07Å; L495-I576 HydrophobicContact CD1-CG2 3.69Å
496K93.5Very high93.1Very high152 Ų15251.4 Ų51.466%0.66125%0.248SC*.Hα-helixtrans-59.9-47.4174.8-178.8-179.4177.1-176.80111.1D492 Y494 V500D492-K496 WeakPolarHBondContact O-CB 3.45Å; D492-K496 PolarHBondContact O-N 2.86Å; Y494-K496 VanDerWaalsContact C-N 3.33Å; Y494-K496 PolarHBondContact O-N 2.91Å; K496-V500 WeakPolarHBondContact O-CG2 3.41Å; K496-V500 PolarHBondContact O-N 3.31Å
497M93.7Very high93.2Very high74 Ų7452.7 Ų52.737%0.36527%0.265SS..Hα-helixtrans-65.3-44.6178.7-166.761.763.600111.5L445 A448 A449 E493 Y494 R499 V500 C501L445-M497 HydrophobicContact CD1-CB 4.07Å; L445-M497 HydrophobicContact CD1-CG 3.75Å; A448-M497 HydrophobicContact CB-CE 4.43Å; A448-M497 HydrophobicContact CB-CG 4.38Å; A448-M497 HydrophobicContact CB-SD 4.07Å; A449-M497 HydrophobicContact CB-SD 4.1Å; E493-M497 PolarHBondContact O-N 3.34Å; E493-M497 VanDerWaalsContact O-N 3.09Å; Y494-M497 PolarHBondContact O-N 3.06Å; M497-R499 VanDerWaalsContact C-N 3.33Å; M497-R499 PolarHBondContact O-N 3.1Å; M497-V500 WeakPolarHBondContact O-CB 3.46Å; M497-V500 PolarHBondContact O-N 3.41Å; M497-V500 VanDerWaalsContact O-N 3.09Å; M497-C501 PolarHBondContact O-N 3.11Å; M497-C501 PolarHBondContact O-SG 3.3Å; M497-C501 VanDerWaalsContact O-SG 3.41Å
498L94.7Very high93.4Very high0 Ų059.2 Ų59.20%029%0.29CS..Hα-helixtrans-61.1-39.4179.9-17860.7000112.4L445 L453 I460 L464 Y494 L495 V500 C501 I502 V573L445-L498 HydrophobicContact CD1-CB 4.37Å; L453-L498 HydrophobicContact CD2-CD1 3.75Å; I460-L498 HydrophobicContact CG2-CD1 4.2Å; I460-L498 HydrophobicContact CG2-CD2 4.15Å; L464-L498 HydrophobicContact CD1-CD2 4.08Å; L464-L498 HydrophobicContact CD2-CD2 3.92Å; L464-L498 HydrophobicContact CG-CD2 4.33Å; Y494-L498 HydrophobicContact CE1-CD2 4.04Å; Y494-L498 WeakPolarHBondContact O-CB 3.45Å; Y494-L498 PolarHBondContact O-N 3.46Å; L495-L498 PolarHBondContact O-N 3.34Å; L498-V500 VanDerWaalsContact C-N 3.31Å; L498-V500 PolarHBondContact O-N 2.97Å; L498-C501 WeakPolarHBondContact O-CB 3.4Å; L498-C501 PolarHBondContact O-N 3.13Å; L498-I502 HydrophobicContact CD1-CD1 4.18Å; L498-I502 HydrophobicContact CD1-CG1 4.26Å; L498-I502 HydrophobicContact CD2-CD1 4.49Å; L498-I502 HydrophobicContact CG-CD1 3.86Å; L498-I502 HydrophobicContact CG-CG1 4.39Å; L498-I502 WeakPolarHBondContact O-CB 3.23Å; L498-I502 VanDerWaalsContact O-CG1 3.3Å; L498-I502 WeakPolarHBondContact O-CG1 3.45Å; L498-I502 PolarHBondContact O-N 3.39Å; L498-V573 HydrophobicContact CD2-CG2 3.86Å
499R94.7Very high93.5Very high97 Ų9760.1 Ų60.137%0.36629%0.29SS..Hα-helixtrans-61-39.5174.1-74.6179-167.71357.8112.4L495 M497 S503 V573 D577L495-R499 WeakPolarHBondContact O-CG 3.49Å; L495-R499 PolarHBondContact O-N 3.47Å; M497-R499 VanDerWaalsContact C-N 3.33Å; M497-R499 PolarHBondContact O-N 3.1Å; R499-S503 WeakPolarHBondContact O-CB 3.46Å; R499-S503 PolarHBondContact O-N 3.06Å; R499-S503 PolarHBondContact O-OG 3.44Å; R499-V573 HydrophobicContact CG-CG1 4.11Å; R499-D577 IonicContact CZ-OD2 3.24Å; R499-D577 IonicContact NH2-OD1 3.17Å; R499-D577 PolarHBondContact NH2-OD1 3.39Å; R499-D577 IonicContact NH2-OD2 2.65Å; R499-D577 PolarHBondContact NH2-OD2 3.49Å
500V94Very high93.5Very high66 Ų6655.7 Ų55.740%0.428%0.278SS..Hα-helixtrans-63.6-48.4175.5174.90000109.8A449 K496 M497 L498 I502 S503 M504A449-V500 HydrophobicContact CB-CG1 4.23Å; K496-V500 WeakPolarHBondContact O-CG2 3.41Å; K496-V500 PolarHBondContact O-N 3.31Å; M497-V500 WeakPolarHBondContact O-CB 3.46Å; M497-V500 PolarHBondContact O-N 3.41Å; M497-V500 VanDerWaalsContact O-N 3.09Å; L498-V500 VanDerWaalsContact C-N 3.31Å; L498-V500 PolarHBondContact O-N 2.97Å; V500-I502 PolarHBondContact O-N 3.32Å; V500-S503 PolarHBondContact O-N 3.15Å; V500-M504 HydrophobicContact CG1-CG 4.44Å; V500-M504 HydrophobicContact CG1-SD 3.92Å; V500-M504 WeakPolarHBondContact O-CG 3.43Å; V500-M504 PolarHBondContact O-N 2.95Å
501C93.8Very high93.5Very high0 Ų057.7 Ų57.70%030%0.297CS..Hα-helixtrans-55-53175-63.30000111.7A448 A449 L453 M497 L498 S503 M504 S505A448-C501 PolarHBondContact O-SG 3.1Å; A449-C501 VanDerWaalsContact C-SG 3.58Å; A449-C501 WeakPolarHBondContact CA-SG 3.39Å; A449-C501 PolarHBondContact O-SG 2.97Å; A449-C501 VanDerWaalsContact O-SG 3.34Å; L453-C501 HydrophobicContact CD1-CB 4.1Å; L453-C501 HydrophobicContact CD2-CB 3.91Å; L453-C501 HydrophobicContact CG-CB 4.22Å; M497-C501 PolarHBondContact O-N 3.11Å; M497-C501 PolarHBondContact O-SG 3.3Å; M497-C501 VanDerWaalsContact O-SG 3.41Å; L498-C501 WeakPolarHBondContact O-CB 3.4Å; L498-C501 PolarHBondContact O-N 3.13Å; C501-S503 VanDerWaalsContact C-N 3.29Å; C501-S503 PolarHBondContact O-N 3.33Å; C501-M504 PolarHBondContact O-N 3.46Å; C501-S505 WeakPolarHBondContact O-CB 3.48Å; C501-S505 PolarHBondContact O-N 3.14Å; C501-S505 PolarHBondContact O-OG 2.86Å; C501-S505 VanDerWaalsContact O-OG 3.09Å
502I94.1Very high93.4Very high2 Ų261.5 Ų61.51%0.0132%0.315CS..Hα-helixtrans-57.5-44.8-178.9-71.8168.8000110.3L453 L498 V500 R506 F566 M569 E570L453-I502 HydrophobicContact CD1-CB 4.34Å; L453-I502 HydrophobicContact CD1-CG1 3.7Å; L498-I502 HydrophobicContact CD1-CD1 4.18Å; L498-I502 HydrophobicContact CD1-CG1 4.26Å; L498-I502 HydrophobicContact CD2-CD1 4.49Å; L498-I502 HydrophobicContact CG-CD1 3.86Å; L498-I502 HydrophobicContact CG-CG1 4.39Å; L498-I502 WeakPolarHBondContact O-CB 3.23Å; L498-I502 VanDerWaalsContact O-CG1 3.3Å; L498-I502 WeakPolarHBondContact O-CG1 3.45Å; L498-I502 PolarHBondContact O-N 3.39Å; V500-I502 PolarHBondContact O-N 3.32Å; I502-R506 WeakPolarHBondContact O-CB 3.44Å; I502-R506 PolarHBondContact O-N 2.89Å; I502-F566 HydrophobicContact CG2-CB 4.38Å; I502-M569 HydrophobicContact CD1-CB 3.92Å; I502-E570 HydrophobicContact CD1-CB 4.5Å
503S94.1Very high93.2Very high68 Ų6858.3 Ų58.348%0.47630%0.298SS..Hα-helixtrans-63.1-44.7179.6-60.40000112R499 V500 C501 A507R499-S503 WeakPolarHBondContact O-CB 3.46Å; R499-S503 PolarHBondContact O-N 3.06Å; R499-S503 PolarHBondContact O-OG 3.44Å; V500-S503 PolarHBondContact O-N 3.15Å; C501-S503 VanDerWaalsContact C-N 3.29Å; C501-S503 PolarHBondContact O-N 3.33Å; S503-A507 WeakPolarHBondContact O-CB 3.39Å; S503-A507 PolarHBondContact O-N 3.23Å
504M92.6Very high93.1Very high106 Ų10659 Ų5952%0.52230%0.299SS..Hα-helixtrans-65.4-50178.1-71.8-179.864.200111.7A449 V500 C501 A507 Y508A449-M504 HydrophobicContact CB-SD 4.37Å; V500-M504 HydrophobicContact CG1-CG 4.44Å; V500-M504 HydrophobicContact CG1-SD 3.92Å; V500-M504 WeakPolarHBondContact O-CG 3.43Å; V500-M504 PolarHBondContact O-N 2.95Å; C501-M504 PolarHBondContact O-N 3.46Å; M504-A507 PolarHBondContact O-N 2.64Å; M504-Y508 PolarHBondContact O-N 2.94Å
505S92.8Very high92.8Very high21 Ų2160.9 Ų60.915%0.14732%0.316CS..Hα-helixtrans-61.4-46.4178.1-57.50000111.1C501 A507 Y508 Y509C501-S505 WeakPolarHBondContact O-CB 3.48Å; C501-S505 PolarHBondContact O-N 3.14Å; C501-S505 PolarHBondContact O-OG 2.86Å; C501-S505 VanDerWaalsContact O-OG 3.09Å; S505-A507 VanDerWaalsContact C-N 3.32Å; S505-A507 PolarHBondContact O-N 3.09Å; S505-Y508 PolarHBondContact O-N 2.88Å; S505-Y509 VanDerWaalsContact O-CD2 3.29Å; S505-Y509 WeakPolarHBondContact O-CD2 3.4Å; S505-Y509 PolarHBondContact O-N 2.9Å
506R94.5Very high92.5Very high52 Ų5261.6 Ų61.620%0.19632%0.319CS..Hα-helixtrans-58.1-44.3176.9-178.7-179.2-69.9138.5-6.7111.9I502 S510 L563 F566 D567 E570I502-R506 WeakPolarHBondContact O-CB 3.44Å; I502-R506 PolarHBondContact O-N 2.89Å; R506-S510 WeakPolarHBondContact O-CB 3.47Å; R506-S510 PolarHBondContact O-N 2.94Å; R506-S510 PolarHBondContact O-OG 3.07Å; R506-L563 HydrophobicContact CG-CD2 4.19Å; R506-F566 HydrophobicContact CB-CD2 4.43Å; R506-D567 IonicContact CZ-OD1 3.79Å; R506-D567 IonicContact NE-OD1 2.91Å; R506-D567 IonicContact NH2-OD1 2.78Å; R506-D567 PolarHBondContact NH2-OD1 3.13Å; R506-E570 IonicContact CZ-OE1 2.75Å; R506-E570 IonicContact CZ-OE2 3.77Å; R506-E570 VanDerWaalsContact NH1-CD 3.3Å; R506-E570 IonicContact NH1-OE1 3.74Å; R506-E570 PolarHBondContact NH1-OE1 2.89Å; R506-E570 IonicContact NH1-OE2 3.67Å; R506-E570 PolarHBondContact NH1-OE2 3.39Å; R506-E570 IonicContact NH2-OE1 2.84Å; R506-E570 IonicContact NH2-OE2 2.6Å; R506-E570 PolarHBondContact NH2-OE2 3.28Å
507A93.1Very high92.1Very high63 Ų6358.4 Ų58.452%0.52131%0.306SS..Hα-helixtrans-61.2-45.1177.900000111.7S503 M504 S505 A511S503-A507 WeakPolarHBondContact O-CB 3.39Å; S503-A507 PolarHBondContact O-N 3.23Å; M504-A507 PolarHBondContact O-N 2.64Å; S505-A507 VanDerWaalsContact C-N 3.32Å; S505-A507 PolarHBondContact O-N 3.09Å; A507-A511 WeakPolarHBondContact O-CB 3.45Å; A507-A511 PolarHBondContact O-N 3.2Å
508Y92.4Very high91.8Very high141 Ų14160.6 Ų60.655%0.55332%0.315SS*.Hα-helixtrans-60.9-57.8177.1174.7-99.9000112.1M504 S505 S510 A511 E512M504-Y508 PolarHBondContact O-N 2.94Å; S505-Y508 PolarHBondContact O-N 2.88Å; Y508-S510 VanDerWaalsContact C-N 3.27Å; Y508-S510 PolarHBondContact O-N 3.35Å; Y508-A511 PolarHBondContact O-N 2.98Å; Y508-A511 VanDerWaalsContact O-N 3.09Å; Y508-E512 PolarHBondContact O-N 3.24Å
509Y92.9Very high91.2Very high48 Ų4865 Ų6519%0.18834%0.336CS..Hα-helixtrans-63-33.6-178.1-81.3-95.1000112.2L454 S505 M513 L559 A562 F566L454-Y509 HydrophobicContact CD1-CE1 4.08Å; L454-Y509 VanDerWaalsContact CD1-OH 3.31Å; L454-Y509 WeakPolarHBondContact CD1-OH 3.39Å; S505-Y509 VanDerWaalsContact O-CD2 3.29Å; S505-Y509 WeakPolarHBondContact O-CD2 3.4Å; S505-Y509 PolarHBondContact O-N 2.9Å; Y509-M513 VanDerWaalsContact O-CB 3.23Å; Y509-M513 WeakPolarHBondContact O-CB 3.42Å; Y509-M513 PolarHBondContact O-N 2.99Å; Y509-L559 HydrophobicContact CD1-CD2 3.48Å; Y509-L559 VanDerWaalsContact CD1-CD2 3.48Å; Y509-L559 HydrophobicContact CE1-CD2 3.89Å; Y509-A562 HydrophobicContact CD1-CB 3.62Å; Y509-A562 HydrophobicContact CE1-CB 3.64Å; Y509-A562 HydrophobicContact CG-CB 4.3Å; Y509-F566 AromaticContact CD2-CE2 3.64Å; Y509-F566 HydrophobicContact CD2-CE2 3.64Å; Y509-F566 AromaticContact CD2-CZ 3.87Å; Y509-F566 HydrophobicContact CD2-CZ 3.87Å; Y509-F566 HydrophobicContact CE2-CE2 4.17Å; Y509-F566 AromaticContact CE2-CZ 3.91Å; Y509-F566 HydrophobicContact CE2-CZ 3.91Å; Y509-F566 HydrophobicContact CG-CE2 4.03Å
510S92.4Very high90.5Very high36 Ų3664 Ų6425%0.25234%0.335SS..Hα-helixtrans-69.5-36.7175-62.20000112.8R506 Y508 K514R506-S510 WeakPolarHBondContact O-CB 3.47Å; R506-S510 PolarHBondContact O-N 2.94Å; R506-S510 PolarHBondContact O-OG 3.07Å; Y508-S510 VanDerWaalsContact C-N 3.27Å; Y508-S510 PolarHBondContact O-N 3.35Å; S510-K514 WeakPolarHBondContact O-CG 3.32Å; S510-K514 PolarHBondContact O-N 3.39Å; S510-K514 VanDerWaalsContact O-N 3.13Å
511A92.4Very high89.9Confident57 Ų5767.3 Ų67.347%0.47134%0.344SS..Hα-helixtrans-68.3-45.9175.700000110.9A507 Y508 M513 K514 A515A507-A511 WeakPolarHBondContact O-CB 3.45Å; A507-A511 PolarHBondContact O-N 3.2Å; Y508-A511 PolarHBondContact O-N 2.98Å; Y508-A511 VanDerWaalsContact O-N 3.09Å; A511-M513 VanDerWaalsContact C-N 3.31Å; A511-M513 PolarHBondContact O-N 3.09Å; A511-K514 WeakPolarHBondContact O-CB 3.41Å; A511-K514 PolarHBondContact O-N 3.17Å; A511-K514 VanDerWaalsContact O-N 3.11Å; A511-A515 PolarHBondContact O-N 2.92Å
512E90.8Very high89.3Confident89 Ų8971.9 Ų71.942%0.41637%0.368SS..Hα-helixtrans-59.2-44176.7-16563-160.300111.3Y508 K514 A515 L516 L559Y508-E512 PolarHBondContact O-N 3.24Å; E512-K514 VanDerWaalsContact C-N 3.32Å; E512-K514 PolarHBondContact O-N 3.11Å; E512-A515 PolarHBondContact O-N 3.43Å; E512-L516 WeakPolarHBondContact O-CB 3.26Å; E512-L516 PolarHBondContact O-N 3.4Å; E512-L559 HydrophobicContact CB-CD1 4.29Å; E512-L559 HydrophobicContact CB-CD2 4.47Å; E512-L559 HydrophobicContact CG-CD1 4.03Å; E512-L559 HydrophobicContact CG-CD2 4.27Å
513M88.7Confident88.4Confident18 Ų1878.4 Ų78.49%0.08939%0.393CS..Hα-helixtrans-62.8-37176.5-175.1-177.2-70.400112.8Y509 A511 K517 Y556 L559 Q560 L563Y509-M513 VanDerWaalsContact O-CB 3.23Å; Y509-M513 WeakPolarHBondContact O-CB 3.42Å; Y509-M513 PolarHBondContact O-N 2.99Å; A511-M513 VanDerWaalsContact C-N 3.31Å; A511-M513 PolarHBondContact O-N 3.09Å; M513-K517 WeakPolarHBondContact O-CG 3.49Å; M513-K517 PolarHBondContact O-N 3.48Å; M513-Y556 HydrophobicContact CE-CE2 4.27Å; M513-Y556 HydrophobicContact CG-CD2 3.78Å; M513-Y556 HydrophobicContact CG-CE2 3.28Å; M513-Y556 HydrophobicContact SD-CD2 4.4Å; M513-Y556 HydrophobicContact SD-CE2 3.54Å; M513-Y556 VanDerWaalsContact SD-CE2 3.54Å; M513-L559 HydrophobicContact CB-CB 4.49Å; M513-L559 HydrophobicContact CB-CD1 4.15Å; M513-L559 VanDerWaalsContact CE-C 3.49Å; M513-L559 HydrophobicContact CE-CB 3.7Å; M513-Q560 HydrophobicContact CE-CB 3.89Å; M513-Q560 VanDerWaalsContact CE-N 3.31Å; M513-L563 HydrophobicContact CE-CD1 3.56Å; M513-L563 HydrophobicContact CE-CG 4.41Å; M513-L563 HydrophobicContact SD-CD1 4.1Å
514K90Very high87.6Confident141 Ų14178.6 Ų78.661%0.61339%0.39SS*.Hα-helixtrans-69.7-45.1175.3-76.3174.6-176.8176.60111.3S510 A511 E512 L516 K517 E518S510-K514 WeakPolarHBondContact O-CG 3.32Å; S510-K514 PolarHBondContact O-N 3.39Å; S510-K514 VanDerWaalsContact O-N 3.13Å; A511-K514 WeakPolarHBondContact O-CB 3.41Å; A511-K514 PolarHBondContact O-N 3.17Å; A511-K514 VanDerWaalsContact O-N 3.11Å; E512-K514 VanDerWaalsContact C-N 3.32Å; E512-K514 PolarHBondContact O-N 3.11Å; K514-L516 VanDerWaalsContact C-N 3.29Å; K514-L516 PolarHBondContact O-N 3.01Å; K514-K517 PolarHBondContact O-N 3.49Å; K514-E518 WeakPolarHBondContact O-CG 3.49Å; K514-E518 PolarHBondContact O-N 2.99Å
515A89.5Confident86.8Confident46 Ų4679.9 Ų79.938%0.3839%0.393SS..Hα-helixtrans-57-44.3176.900000111.1A511 E512 K517 E518 E519A511-A515 PolarHBondContact O-N 2.92Å; E512-A515 PolarHBondContact O-N 3.43Å; A515-K517 PolarHBondContact O-N 3.31Å; A515-E518 PolarHBondContact O-N 2.86Å; A515-E518 VanDerWaalsContact O-N 3.12Å; A515-E519 WeakPolarHBondContact O-CB 3.39Å; A515-E519 PolarHBondContact O-N 3.3Å
516L87.7Confident86Confident16 Ų1684 Ų848%0.08441%0.41CS..Hα-helixtrans-63.2-40.1177.7-167.4140.8000112.7E512 K514 E518 Q520 Q555 Y556E512-L516 WeakPolarHBondContact O-CB 3.26Å; E512-L516 PolarHBondContact O-N 3.4Å; K514-L516 VanDerWaalsContact C-N 3.29Å; K514-L516 PolarHBondContact O-N 3.01Å; L516-E518 VanDerWaalsContact C-N 3.34Å; L516-Q520 WeakPolarHBondContact O-CB 3.4Å; L516-Q520 PolarHBondContact O-N 3.4Å; L516-Q555 HydrophobicContact CD1-CB 3.77Å; L516-Y556 HydrophobicContact CD2-CD2 4.38Å
517K85.6Confident85Confident86 Ų8684.5 Ų84.537%0.37443%0.425SS..Hα-helixtrans-64.7-37.9172.6-73.6-172.8-165.9-175.30112.4M513 K514 A515 K521 Y556M513-K517 WeakPolarHBondContact O-CG 3.49Å; M513-K517 PolarHBondContact O-N 3.48Å; K514-K517 PolarHBondContact O-N 3.49Å; A515-K517 PolarHBondContact O-N 3.31Å; K517-K521 WeakPolarHBondContact O-CB 3.35Å; K517-K521 WeakPolarHBondContact O-CG 3.41Å; K517-K521 PolarHBondContact O-N 3.07Å; K517-Y556 HydrophobicContact CD-CE2 4.29Å; K517-Y556 VanDerWaalsContact CE-CZ 3.49Å; K517-Y556 VanDerWaalsContact CE-OH 3.26Å; K517-Y556 WeakPolarHBondContact CE-OH 3.11Å; K517-Y556 HydrophobicContact CG-CE2 4.21Å; K517-Y556 PolarHBondContact NZ-OH 3.15Å
518E86.3Confident84Confident119 Ų11987.9 Ų87.956%0.55643%0.428SS*.Hα-helixtrans-71.2-42.5179.7-73.6178.1178.900111.6K514 A515 L516 Q520 K521 L522K514-E518 WeakPolarHBondContact O-CG 3.49Å; K514-E518 PolarHBondContact O-N 2.99Å; A515-E518 PolarHBondContact O-N 2.86Å; A515-E518 VanDerWaalsContact O-N 3.12Å; L516-E518 VanDerWaalsContact C-N 3.34Å; E518-Q520 PolarHBondContact O-N 3.46Å; E518-K521 WeakPolarHBondContact O-CB 3.39Å; E518-K521 PolarHBondContact O-N 3.47Å; E518-L522 WeakPolarHBondContact O-CG 3.3Å; E518-L522 PolarHBondContact O-N 2.99Å
519E82.6Confident82.8Confident93 Ų9386.9 Ų86.944%0.43543%0.429SS..Hα-helixtrans-61.4-44173.4-169.9-177179.200111.3A515 K521 L522 R523A515-E519 WeakPolarHBondContact O-CB 3.39Å; A515-E519 PolarHBondContact O-N 3.3Å; E519-K521 VanDerWaalsContact C-N 3.32Å; E519-K521 PolarHBondContact O-N 2.99Å; E519-L522 PolarHBondContact O-N 3.48Å; E519-L522 VanDerWaalsContact O-N 3.17Å; E519-R523 HydrophobicContact CG-CG 4.46Å; E519-R523 WeakPolarHBondContact O-CB 3.5Å; E519-R523 WeakPolarHBondContact O-CG 3.48Å; E519-R523 PolarHBondContact O-N 3.48Å; E519-R523 IonicContact OE1-CZ 3.36Å; E519-R523 VanDerWaalsContact OE1-CZ 3.24Å; E519-R523 IonicContact OE1-NE 2.79Å; E519-R523 PolarHBondContact OE1-NE 2.97Å; E519-R523 VanDerWaalsContact OE1-NE 3.17Å; E519-R523 IonicContact OE1-NH2 2.71Å; E519-R523 PolarHBondContact OE1-NH2 3.12Å
520Q80.1Confident81.3Confident77 Ų7790.8 Ų90.836%0.3645%0.448SS..Hα-helixtrans-62.3-40.4175.8-164.9176.232.200111.5L516 E518 V524 E553L516-Q520 WeakPolarHBondContact O-CB 3.4Å; L516-Q520 PolarHBondContact O-N 3.4Å; E518-Q520 PolarHBondContact O-N 3.46Å; Q520-V524 WeakPolarHBondContact O-CB 3.47Å; Q520-V524 VanDerWaalsContact O-CG2 3.22Å; Q520-V524 WeakPolarHBondContact O-CG2 3.4Å; Q520-V524 PolarHBondContact O-N 3.2Å; Q520-E553 PolarHBondContact NE2-OE1 3.16Å; Q520-E553 VanDerWaalsContact NE2-OE1 3.12Å
521K82Confident79.7Confident135 Ų13592.2 Ų92.259%0.58746%0.462SS*.Hα-helixtrans-63.6-39.4174.1-75.3169.8-175.9176.90112.2K517 E518 E519 K525K517-K521 WeakPolarHBondContact O-CB 3.35Å; K517-K521 WeakPolarHBondContact O-CG 3.41Å; K517-K521 PolarHBondContact O-N 3.07Å; E518-K521 WeakPolarHBondContact O-CB 3.39Å; E518-K521 PolarHBondContact O-N 3.47Å; E519-K521 VanDerWaalsContact C-N 3.32Å; E519-K521 PolarHBondContact O-N 2.99Å; K521-K525 WeakPolarHBondContact O-CG 3.39Å; K521-K525 PolarHBondContact O-N 3.42Å
522L80.1Confident78.3Confident95 Ų9598.7 Ų98.750%0.49747%0.474SS..Hα-helixtrans-66.9-49.1176.8-74.3165.3000111E518 E519 V524 K525 E526E518-L522 WeakPolarHBondContact O-CG 3.3Å; E518-L522 PolarHBondContact O-N 2.99Å; E519-L522 PolarHBondContact O-N 3.48Å; E519-L522 VanDerWaalsContact O-N 3.17Å; L522-V524 VanDerWaalsContact C-N 3.28Å; L522-V524 PolarHBondContact O-N 3.08Å; L522-K525 CarbonylContact O-C 3.57Å; L522-K525 WeakPolarHBondContact O-CA 3.35Å; L522-K525 WeakPolarHBondContact O-CB 3.31Å; L522-K525 PolarHBondContact O-N 3.48Å; L522-E526 WeakPolarHBondContact O-CG 3.3Å; L522-E526 PolarHBondContact O-N 3.16Å
523R76.3Confident76.6Confident140 Ų14098.4 Ų98.453%0.52848%0.482SS..Hα-helixtrans-57.5-39175.4-71.3-178.2-176.5-1692.5112.5E519 A527E519-R523 HydrophobicContact CG-CG 4.46Å; E519-R523 WeakPolarHBondContact O-CB 3.5Å; E519-R523 WeakPolarHBondContact O-CG 3.48Å; E519-R523 PolarHBondContact O-N 3.48Å; E519-R523 IonicContact OE1-CZ 3.36Å; E519-R523 VanDerWaalsContact OE1-CZ 3.24Å; E519-R523 IonicContact OE1-NE 2.79Å; E519-R523 PolarHBondContact OE1-NE 2.97Å; E519-R523 VanDerWaalsContact OE1-NE 3.17Å; E519-R523 IonicContact OE1-NH2 2.71Å; E519-R523 PolarHBondContact OE1-NH2 3.12Å; R523-A527 WeakPolarHBondContact O-CB 3.48Å; R523-A527 PolarHBondContact O-N 3.42Å
524V77.5Confident74.8Confident71 Ų71101.6 Ų101.643%0.4350%0.503SS..Hα-helixtrans-67.8-36.1174.81700000112Q520 L522 K528Q520-V524 WeakPolarHBondContact O-CB 3.47Å; Q520-V524 VanDerWaalsContact O-CG2 3.22Å; Q520-V524 WeakPolarHBondContact O-CG2 3.4Å; Q520-V524 PolarHBondContact O-N 3.2Å; L522-V524 VanDerWaalsContact C-N 3.28Å; L522-V524 PolarHBondContact O-N 3.08Å; V524-K528 HydrophobicContact CG1-CD 4.44Å; V524-K528 WeakPolarHBondContact O-CB 3.32Å; V524-K528 VanDerWaalsContact O-CG 3.28Å; V524-K528 WeakPolarHBondContact O-CG 3.37Å; V524-K528 PolarHBondContact O-N 3.38Å
525K76.4Confident72.9Confident133 Ų133106 Ų10658%0.57852%0.515SS*.Hα-helixtrans-69.9-46.9174.9-76.9177178.7-177.90111.4K521 L522 A527 K528 E529K521-K525 WeakPolarHBondContact O-CG 3.39Å; K521-K525 PolarHBondContact O-N 3.42Å; L522-K525 CarbonylContact O-C 3.57Å; L522-K525 WeakPolarHBondContact O-CA 3.35Å; L522-K525 WeakPolarHBondContact O-CB 3.31Å; L522-K525 PolarHBondContact O-N 3.48Å; K525-A527 PolarHBondContact O-N 3.28Å; K525-K528 WeakPolarHBondContact O-CB 3.44Å; K525-K528 PolarHBondContact O-N 3.03Å; K525-K528 VanDerWaalsContact O-N 3.13Å; K525-E529 PolarHBondContact O-N 3.37Å
526E75.4Confident71Confident109 Ų109111.1 Ų111.151%0.50954%0.535SS..Hα-helixtrans-61.9-42176.6-71.4174.217100111.5L522 K528 E529 H530L522-E526 WeakPolarHBondContact O-CG 3.3Å; L522-E526 PolarHBondContact O-N 3.16Å; E526-K528 VanDerWaalsContact C-N 3.3Å; E526-K528 PolarHBondContact O-N 3.21Å; E526-E529 PolarHBondContact O-N 3.08Å; E526-H530 WeakPolarHBondContact O-CB 3.41Å; E526-H530 PolarHBondContact O-N 3.05Å
527A73Confident68.6Low61 Ų61117.3 Ų117.350%0.50457%0.568SS.*Hα-helixtrans-62.5-36.4173.900000112.4R523 K525 A531R523-A527 WeakPolarHBondContact O-CB 3.48Å; R523-A527 PolarHBondContact O-N 3.42Å; K525-A527 PolarHBondContact O-N 3.28Å; A527-A531 WeakPolarHBondContact O-CB 3.39Å; A527-A531 PolarHBondContact O-N 2.65Å
528K71.5Confident66.6Low135 Ų135123.6 Ų123.659%0.58760%0.595SS**Hα-helixtrans-69.8-34.9174.1-77.2174.7179.9179.40112.3V524 K525 E526 R532V524-K528 HydrophobicContact CG1-CD 4.44Å; V524-K528 WeakPolarHBondContact O-CB 3.32Å; V524-K528 VanDerWaalsContact O-CG 3.28Å; V524-K528 WeakPolarHBondContact O-CG 3.37Å; V524-K528 PolarHBondContact O-N 3.38Å; K525-K528 WeakPolarHBondContact O-CB 3.44Å; K525-K528 PolarHBondContact O-N 3.03Å; K525-K528 VanDerWaalsContact O-N 3.13Å; E526-K528 VanDerWaalsContact C-N 3.3Å; E526-K528 PolarHBondContact O-N 3.21Å; K528-R532 WeakPolarHBondContact O-CG 3.18Å; K528-R532 PolarHBondContact O-N 3.11Å
529E68.4Low64Low120 Ų120122.4 Ų122.456%0.56161%0.606SS**Hα-helixtrans-75.5-42.3176.2-74.1-180177.900111.8K525 E526 A531 R532 S533K525-E529 PolarHBondContact O-N 3.37Å; E526-E529 PolarHBondContact O-N 3.08Å; E529-A531 PolarHBondContact O-N 2.84Å; E529-R532 WeakPolarHBondContact O-CA 3.36Å; E529-R532 WeakPolarHBondContact O-CB 3.49Å; E529-R532 PolarHBondContact O-N 2.6Å; E529-R532 VanDerWaalsContact O-N 3.08Å; E529-S533 PolarHBondContact O-N 2.86Å; E529-S533 PolarHBondContact O-OG 3.04Å; E529-S533 VanDerWaalsContact O-OG 3.13Å
530H60.1Low62.1Low130 Ų130125.6 Ų125.660%0.60262%0.624SS**Hα-helixtrans-60.7-43170.4-110.2-63.4000111.4E526 R532 S533 T534E526-H530 WeakPolarHBondContact O-CB 3.41Å; E526-H530 PolarHBondContact O-N 3.05Å; H530-R532 PolarHBondContact O-N 3.47Å; H530-S533 PolarHBondContact O-N 3.09Å; H530-S533 VanDerWaalsContact O-N 3.12Å; H530-T534 WeakPolarHBondContact O-CB 3.48Å; H530-T534 PolarHBondContact O-N 2.78Å; H530-T534 PolarHBondContact O-OG1 2.98Å
531A60.2Low59.7Low65 Ų65128.5 Ų128.554%0.53765%0.647SS.*Hα-helixtrans-61.9-27.8174.400000113.2A527 E529A527-A531 WeakPolarHBondContact O-CB 3.39Å; A527-A531 PolarHBondContact O-N 2.65Å; E529-A531 PolarHBondContact O-N 2.84Å
532R61.4Low57.7Low193 Ų193127.8 Ų127.873%0.72865%0.654SS**Hα-helixtrans-76.8-37.8173-74.8171.7176.6179.3-1.7112.1K528 E529 H530K528-R532 WeakPolarHBondContact O-CG 3.18Å; K528-R532 PolarHBondContact O-N 3.11Å; E529-R532 WeakPolarHBondContact O-CA 3.36Å; E529-R532 WeakPolarHBondContact O-CB 3.49Å; E529-R532 PolarHBondContact O-N 2.6Å; E529-R532 VanDerWaalsContact O-N 3.08Å; H530-R532 PolarHBondContact O-N 3.47Å
533S56.2Low55.4Low83 Ų83130.9 Ų130.958%0.5866%0.663SS**Hα-helixtrans-79.3-36.8-179.7-580000113.7E529 H530 R535 L536E529-S533 PolarHBondContact O-N 2.86Å; E529-S533 PolarHBondContact O-OG 3.04Å; E529-S533 VanDerWaalsContact O-OG 3.13Å; H530-S533 PolarHBondContact O-N 3.09Å; H530-S533 VanDerWaalsContact O-N 3.12Å; S533-R535 PolarHBondContact O-N 3.42Å; S533-L536 PolarHBondContact O-N 3.37Å
534T49.9Very low53.2Low85 Ų85131.1 Ų131.152%0.52167%0.67SS.*G310 helixtrans-71.8-10.6177.9-47.60000112.5H530 L536H530-T534 WeakPolarHBondContact O-CB 3.48Å; H530-T534 PolarHBondContact O-N 2.78Å; H530-T534 PolarHBondContact O-OG1 2.98Å; T534-L536 PolarHBondContact O-N 3.27Å
535R50.7Low51.1Low234 Ų234135.3 Ų135.388%0.88369%0.69SS**G310 helixtrans-67.3-8.7170-130.9178.6-168.8-178.23.3113.3S533S533-R535 PolarHBondContact O-N 3.42Å
536L49.4Very low49.1Very low153 Ų153138.4 Ų138.480%0.80170%0.704SS**G310 helixtrans-111.5-7.1-179.3-102.2145.4000115.5S533 T534S533-L536 PolarHBondContact O-N 3.37Å; T534-L536 PolarHBondContact O-N 3.27Å
537L37.6Very low47.2Very low146 Ų146139.4 Ų139.476%0.76472%0.717SS**  trans-142.5111.7172.7-74.5172.3000111.8A539L537-A539 PolarHBondContact O-N 3.43Å
538K43.1Very low45.8Very low219 Ų219141.7 Ų141.795%0.95273%0.725SS**  trans-65.5120.8163.4-93.8179.3172.6177.30109.2
539A32Very low45Very low94 Ų94142.6 Ų142.678%0.77773%0.731SS**  trans-158.3134.8147.100000110.9L537L537-A539 PolarHBondContact O-N 3.43Å
540I43.2Very low44.6Very low160 Ų160142.9 Ų142.982%0.82173%0.734SS**  trans-73.2133.4172.7-67.7158.9000108.7
541T28.6Very low45.5Very low138 Ų138139.2 Ų139.285%0.84772%0.723SS**  trans-151.1121.1146.7-13.30000112.2
542V40.9Very low46.3Very low119 Ų119138.1 Ų138.172%0.72171%0.71SS**  trans-70137.4161.2173.30000108.2
543K31.3Very low47.2Very low161 Ų161133.6 Ų133.670%0.770%0.697SS**  168.2127.7126.5-93.2-165.7168.7-161.70114.6
544H31.3Very low48.5Very low144 Ų144132.4 Ų132.467%0.66769%0.686SS**  trans79.687.5131.4-623.3000118.2K546H544-K546 PolarHBondContact O-N 2.87Å
545D32.1Very low50.1Low160 Ų160132 Ų13286%0.85668%0.679SS**  trans-58.7113.4150-79.9-33.5000109.8
546K33.9Very low51.8Low198 Ų198123.8 Ų123.886%0.86165%0.648SS**  trans-96.8105.7152.3-79.4-171.2175.9-175.10107H544 T548H544-K546 PolarHBondContact O-N 2.87Å; K546-T548 PolarHBondContact O-N 3Å
547V37.3Very low53.6Low130 Ų130122.5 Ų122.579%0.78864%0.638SS**  trans-65.6118.5175.5172.80000110
548T43.1Very low56.1Low109 Ų109119.3 Ų119.367%0.66962%0.624SS**  trans169.6127.3151.941.10000106.6K546K546-T548 PolarHBondContact O-N 3Å
549H53.6Low58.3Low154 Ų154109.9 Ų109.971%0.71358%0.584SS**SBendcis-150.4133.57.8-89-83.7000109.1Q555H549-Q555 PolarHBondContact O-NE2 3.15Å
550M60.1Low61.1Low126 Ų126110 Ų11062%0.62157%0.568SS**  trans57137.1173.1-56.4-170.2-159.500118.5V554 Q555M550-V554 HydrophobicContact CB-CB 4.38Å; M550-V554 HydrophobicContact CB-CG1 4.19Å; M550-V554 HydrophobicContact CG-CG1 4.17Å; M550-V554 HydrophobicContact SD-CG1 3.78Å; M550-Q555 HydrophobicContact CB-CG 3.93Å; M550-Q555 PolarHBondContact O-NE2 3.09Å
551S80.6Confident63.4Low53 Ų53105.8 Ų105.837%0.37155%0.554SS.*  trans-70.1153.9171.569.40000111.2E553 V554 Q555S551-E553 WeakPolarHBondContact CB-OE2 3.39Å; S551-E553 PolarHBondContact O-N 3.17Å; S551-E553 VanDerWaalsContact O-N 3.15Å; S551-E553 PolarHBondContact OG-OE2 3.41Å; S551-V554 PolarHBondContact O-N 3.09Å; S551-V554 WeakPolarHBondContact OG-CG2 3.26Å; S551-V554 PolarHBondContact OG-N 3.34Å; S551-Q555 PolarHBondContact O-N 2.77Å
552P76.9Confident66.4Low41 Ų4199.4 Ų99.427%0.26652%0.515SS..Hα-helixtrans-54.8-33.1178.2-26.535.5000113.6Q555 Y556P552-Q555 PolarHBondContact O-N 3.37Å; P552-Y556 WeakPolarHBondContact O-CB 3.09Å; P552-Y556 PolarHBondContact O-N 3.02Å
553E80.2Confident68.9Low99 Ų9995.1 Ų95.146%0.46349%0.487SS..Hα-helixtrans-65.8-41176.4-63.770.6-150.700111.8Q520 S551 Y556 Q557Q520-E553 PolarHBondContact NE2-OE1 3.16Å; Q520-E553 VanDerWaalsContact NE2-OE1 3.12Å; S551-E553 WeakPolarHBondContact CB-OE2 3.39Å; S551-E553 PolarHBondContact O-N 3.17Å; S551-E553 VanDerWaalsContact O-N 3.15Å; S551-E553 PolarHBondContact OG-OE2 3.41Å; E553-Y556 PolarHBondContact O-N 3.28Å; E553-Q557 WeakPolarHBondContact O-CG 3.29Å; E553-Q557 PolarHBondContact O-N 2.91Å; E553-Q557 VanDerWaalsContact O-N 3.07Å
554V82.9Confident71.9Confident58 Ų5891.7 Ų91.735%0.35248%0.48SS..Hα-helixtrans-70-41.5177.2173.50000110.4M550 S551 Y556 Q557 V558M550-V554 HydrophobicContact CB-CB 4.38Å; M550-V554 HydrophobicContact CB-CG1 4.19Å; M550-V554 HydrophobicContact CG-CG1 4.17Å; M550-V554 HydrophobicContact SD-CG1 3.78Å; S551-V554 PolarHBondContact O-N 3.09Å; S551-V554 WeakPolarHBondContact OG-CG2 3.26Å; S551-V554 PolarHBondContact OG-N 3.34Å; V554-Y556 VanDerWaalsContact C-N 3.31Å; V554-Y556 PolarHBondContact O-N 3.02Å; V554-Q557 PolarHBondContact O-N 2.92Å; V554-V558 WeakPolarHBondContact O-CG2 3.41Å; V554-V558 PolarHBondContact O-N 3.25Å
555Q82.9Confident74.8Confident77 Ų7785.8 Ų85.836%0.3645%0.454SS..Hα-helixtrans-59.5-43.6174.9-67.1177.93.500111.5L516 H549 M550 S551 P552 Q557 V558 L559L516-Q555 HydrophobicContact CD1-CB 3.77Å; H549-Q555 PolarHBondContact O-NE2 3.15Å; M550-Q555 HydrophobicContact CB-CG 3.93Å; M550-Q555 PolarHBondContact O-NE2 3.09Å; S551-Q555 PolarHBondContact O-N 2.77Å; P552-Q555 PolarHBondContact O-N 3.37Å; Q555-Q557 PolarHBondContact O-N 3.4Å; Q555-V558 PolarHBondContact O-N 3.45Å; Q555-L559 WeakPolarHBondContact O-CG 3.45Å; Q555-L559 PolarHBondContact O-N 2.7Å; Q555-L559 VanDerWaalsContact O-N 3.08Å
556Y86.7Confident77.8Confident61 Ų6178.2 Ų78.224%0.23941%0.414CS..Hα-helixtrans-59.5-44.7174.9-175.3-93.7000112.6M513 L516 K517 P552 E553 V554 V558 L559 Q560M513-Y556 HydrophobicContact CE-CE2 4.27Å; M513-Y556 HydrophobicContact CG-CD2 3.78Å; M513-Y556 HydrophobicContact CG-CE2 3.28Å; M513-Y556 HydrophobicContact SD-CD2 4.4Å; M513-Y556 HydrophobicContact SD-CE2 3.54Å; M513-Y556 VanDerWaalsContact SD-CE2 3.54Å; L516-Y556 HydrophobicContact CD2-CD2 4.38Å; K517-Y556 HydrophobicContact CD-CE2 4.29Å; K517-Y556 VanDerWaalsContact CE-CZ 3.49Å; K517-Y556 VanDerWaalsContact CE-OH 3.26Å; K517-Y556 WeakPolarHBondContact CE-OH 3.11Å; K517-Y556 HydrophobicContact CG-CE2 4.21Å; K517-Y556 PolarHBondContact NZ-OH 3.15Å; P552-Y556 WeakPolarHBondContact O-CB 3.09Å; P552-Y556 PolarHBondContact O-N 3.02Å; E553-Y556 PolarHBondContact O-N 3.28Å; V554-Y556 VanDerWaalsContact C-N 3.31Å; V554-Y556 PolarHBondContact O-N 3.02Å; Y556-V558 PolarHBondContact O-N 2.91Å; Y556-L559 PolarHBondContact O-N 3.21Å; Y556-Q560 WeakPolarHBondContact O-CB 3.36Å; Y556-Q560 PolarHBondContact O-N 3.12Å
557Q88.6Confident80.7Confident125 Ų12572.7 Ų72.758%0.58439%0.394SS*.Hα-helixtrans-62.7-40.1177.7-75175-2.300112.4E553 V554 Q555 Q560 S561E553-Q557 WeakPolarHBondContact O-CG 3.29Å; E553-Q557 PolarHBondContact O-N 2.91Å; E553-Q557 VanDerWaalsContact O-N 3.07Å; V554-Q557 PolarHBondContact O-N 2.92Å; Q555-Q557 PolarHBondContact O-N 3.4Å; Q557-Q560 PolarHBondContact O-N 2.95Å; Q557-S561 PolarHBondContact O-N 3.33Å
558V88.8Confident83.4Confident80 Ų8070.6 Ų70.649%0.48538%0.377SS..Hα-helixtrans-62.6-48.1176.5171.90000110.9V554 Q555 Y556 Q560 S561 A562V554-V558 WeakPolarHBondContact O-CG2 3.41Å; V554-V558 PolarHBondContact O-N 3.25Å; Q555-V558 PolarHBondContact O-N 3.45Å; Y556-V558 PolarHBondContact O-N 2.91Å; V558-Q560 VanDerWaalsContact C-N 3.27Å; V558-Q560 PolarHBondContact O-N 2.93Å; V558-S561 WeakPolarHBondContact O-CB 3.39Å; V558-S561 PolarHBondContact O-N 2.77Å; V558-A562 PolarHBondContact O-N 3.32Å
559L89.1Confident85.9Confident20 Ų2065.4 Ų65.411%0.10535%0.346CS..Hα-helixtrans-61.5-38176.4-65174.5000111.6Y509 E512 M513 Q555 Y556 A562 L563Y509-L559 HydrophobicContact CD1-CD2 3.48Å; Y509-L559 VanDerWaalsContact CD1-CD2 3.48Å; Y509-L559 HydrophobicContact CE1-CD2 3.89Å; E512-L559 HydrophobicContact CB-CD1 4.29Å; E512-L559 HydrophobicContact CB-CD2 4.47Å; E512-L559 HydrophobicContact CG-CD1 4.03Å; E512-L559 HydrophobicContact CG-CD2 4.27Å; M513-L559 HydrophobicContact CB-CB 4.49Å; M513-L559 HydrophobicContact CB-CD1 4.15Å; M513-L559 VanDerWaalsContact CE-C 3.49Å; M513-L559 HydrophobicContact CE-CB 3.7Å; Q555-L559 WeakPolarHBondContact O-CG 3.45Å; Q555-L559 PolarHBondContact O-N 2.7Å; Q555-L559 VanDerWaalsContact O-N 3.08Å; Y556-L559 PolarHBondContact O-N 3.21Å; L559-A562 WeakPolarHBondContact O-CB 3.36Å; L559-A562 PolarHBondContact O-N 2.83Å; L559-L563 WeakPolarHBondContact O-CG 3.33Å; L559-L563 PolarHBondContact O-N 3.2Å; L559-L563 VanDerWaalsContact O-N 3.16Å
560Q91.3Very high87.8Confident96 Ų9661.4 Ų61.445%0.44933%0.327SS..Hα-helixtrans-66.1-42.1176-175.2175.7-8.700112M513 Y556 Q557 V558 A562 L563 V564M513-Q560 HydrophobicContact CE-CB 3.89Å; M513-Q560 VanDerWaalsContact CE-N 3.31Å; Y556-Q560 WeakPolarHBondContact O-CB 3.36Å; Y556-Q560 PolarHBondContact O-N 3.12Å; Q557-Q560 PolarHBondContact O-N 2.95Å; V558-Q560 VanDerWaalsContact C-N 3.27Å; V558-Q560 PolarHBondContact O-N 2.93Å; Q560-A562 VanDerWaalsContact C-N 3.28Å; Q560-A562 PolarHBondContact O-N 2.92Å; Q560-L563 PolarHBondContact O-N 3.36Å; Q560-V564 WeakPolarHBondContact O-CG2 3.48Å; Q560-V564 PolarHBondContact O-N 3.3Å; Q560-V564 VanDerWaalsContact O-N 3.08Å
561S91.5Very high89.4Confident73 Ų7358.4 Ų58.451%0.5132%0.319SS..Hα-helixtrans-59.4-41.6174.9-169.30000111.3Q557 V558 L563 V564 T565Q557-S561 PolarHBondContact O-N 3.33Å; V558-S561 WeakPolarHBondContact O-CB 3.39Å; V558-S561 PolarHBondContact O-N 2.77Å; S561-L563 PolarHBondContact O-N 3.03Å; S561-V564 PolarHBondContact O-N 3.28Å; S561-T565 PolarHBondContact O-N 3.18Å; S561-T565 PolarHBondContact O-OG1 2.96Å
562A92.3Very high90Very high4 Ų456.8 Ų56.83%0.03331%0.305CS..Hα-helixtrans-60.8-44.6176.900000112.5L454 Y509 V558 L559 Q560 V564 T565 F566L454-A562 HydrophobicContact CD1-CB 3.6Å; L454-A562 HydrophobicContact CD2-CB 3.94Å; L454-A562 HydrophobicContact CG-CB 4.36Å; Y509-A562 HydrophobicContact CD1-CB 3.62Å; Y509-A562 HydrophobicContact CE1-CB 3.64Å; Y509-A562 HydrophobicContact CG-CB 4.3Å; V558-A562 PolarHBondContact O-N 3.32Å; L559-A562 WeakPolarHBondContact O-CB 3.36Å; L559-A562 PolarHBondContact O-N 2.83Å; Q560-A562 VanDerWaalsContact C-N 3.28Å; Q560-A562 PolarHBondContact O-N 2.92Å; A562-V564 PolarHBondContact O-N 3.19Å; A562-T565 WeakPolarHBondContact O-CB 3.34Å; A562-T565 PolarHBondContact O-N 3.24Å; A562-F566 HydrophobicContact CB-CE2 4.46Å; A562-F566 HydrophobicContact CB-CZ 4.42Å; A562-F566 WeakPolarHBondContact O-CD2 3.5Å; A562-F566 WeakPolarHBondContact O-CG 3.43Å; A562-F566 PolarHBondContact O-N 2.65Å; A562-F566 VanDerWaalsContact O-N 3.11Å
563L93.3Very high90.8Very high28 Ų2854.9 Ų54.915%0.14729%0.293CS..Hα-helixtrans-62.7-41.7177-67.1178.6000112.2R506 M513 L559 Q560 S561 T565 F566 D567R506-L563 HydrophobicContact CG-CD2 4.19Å; M513-L563 HydrophobicContact CE-CD1 3.56Å; M513-L563 HydrophobicContact CE-CG 4.41Å; M513-L563 HydrophobicContact SD-CD1 4.1Å; L559-L563 WeakPolarHBondContact O-CG 3.33Å; L559-L563 PolarHBondContact O-N 3.2Å; L559-L563 VanDerWaalsContact O-N 3.16Å; Q560-L563 PolarHBondContact O-N 3.36Å; S561-L563 PolarHBondContact O-N 3.03Å; L563-T565 VanDerWaalsContact C-N 3.28Å; L563-T565 PolarHBondContact O-N 2.99Å; L563-F566 HydrophobicContact CD2-CD2 4.14Å; L563-F566 HydrophobicContact CD2-CE2 4.46Å; L563-F566 PolarHBondContact O-N 2.84Å; L563-F566 VanDerWaalsContact O-N 3.12Å; L563-D567 PolarHBondContact O-N 3.04Å
564V93.8Very high91.4Very high89 Ų8953.5 Ų53.554%0.53929%0.292SS..Hα-helixtrans-60.7-39.8176172.30000111.1Q560 S561 A562 F566 D567 L568Q560-V564 WeakPolarHBondContact O-CG2 3.48Å; Q560-V564 PolarHBondContact O-N 3.3Å; Q560-V564 VanDerWaalsContact O-N 3.08Å; S561-V564 PolarHBondContact O-N 3.28Å; A562-V564 PolarHBondContact O-N 3.19Å; V564-F566 VanDerWaalsContact C-N 3.34Å; V564-F566 PolarHBondContact O-N 2.96Å; V564-D567 PolarHBondContact O-N 3.36Å; V564-L568 PolarHBondContact O-N 3.43Å
565T93.1Very high91.9Very high21 Ų2154.1 Ų54.113%0.12929%0.287CS..Hα-helixtrans-60.5-42.5174.2-64.80000111.9L454 M457 S561 A562 L563 L568 M569L454-T565 HydrophobicContact CD2-CG2 3.91Å; M457-T565 HydrophobicContact CB-CG2 4.39Å; M457-T565 HydrophobicContact CG-CG2 3.73Å; M457-T565 HydrophobicContact SD-CG2 3.37Å; M457-T565 WeakPolarHBondContact SD-CG2 3.31Å; S561-T565 PolarHBondContact O-N 3.18Å; S561-T565 PolarHBondContact O-OG1 2.96Å; A562-T565 WeakPolarHBondContact O-CB 3.34Å; A562-T565 PolarHBondContact O-N 3.24Å; L563-T565 VanDerWaalsContact C-N 3.28Å; L563-T565 PolarHBondContact O-N 2.99Å; T565-L568 WeakPolarHBondContact O-CB 3.35Å; T565-L568 PolarHBondContact O-N 3.38Å; T565-M569 HydrophobicContact CG2-CE 3.85Å; T565-M569 WeakPolarHBondContact O-CG 3.23Å; T565-M569 PolarHBondContact O-N 3.4Å
566F95Very high92.3Very high1 Ų150.5 Ų50.50%0.00427%0.271CS..Hα-helixtrans-65.9-39.7177-56.3-28.9000112.4L453 L454 I502 R506 Y509 A562 L563 V564 L568 M569 E570L453-F566 HydrophobicContact CB-CD1 4.2Å; L453-F566 HydrophobicContact CB-CE1 3.71Å; L453-F566 HydrophobicContact CD1-CD1 3.95Å; L453-F566 HydrophobicContact CD1-CE1 4.01Å; L453-F566 HydrophobicContact CG-CE1 4.49Å; L454-F566 HydrophobicContact CD2-CD1 4.43Å; L454-F566 HydrophobicContact CD2-CE1 3.61Å; L454-F566 HydrophobicContact CD2-CZ 3.97Å; L454-F566 HydrophobicContact CG-CE1 3.98Å; L454-F566 HydrophobicContact CG-CZ 4.08Å; I502-F566 HydrophobicContact CG2-CB 4.38Å; R506-F566 HydrophobicContact CB-CD2 4.43Å; Y509-F566 AromaticContact CD2-CE2 3.64Å; Y509-F566 HydrophobicContact CD2-CE2 3.64Å; Y509-F566 AromaticContact CD2-CZ 3.87Å; Y509-F566 HydrophobicContact CD2-CZ 3.87Å; Y509-F566 HydrophobicContact CE2-CE2 4.17Å; Y509-F566 AromaticContact CE2-CZ 3.91Å; Y509-F566 HydrophobicContact CE2-CZ 3.91Å; Y509-F566 HydrophobicContact CG-CE2 4.03Å; A562-F566 HydrophobicContact CB-CE2 4.46Å; A562-F566 HydrophobicContact CB-CZ 4.42Å; A562-F566 WeakPolarHBondContact O-CD2 3.5Å; A562-F566 WeakPolarHBondContact O-CG 3.43Å; A562-F566 PolarHBondContact O-N 2.65Å; A562-F566 VanDerWaalsContact O-N 3.11Å; L563-F566 HydrophobicContact CD2-CD2 4.14Å; L563-F566 HydrophobicContact CD2-CE2 4.46Å; L563-F566 PolarHBondContact O-N 2.84Å; L563-F566 VanDerWaalsContact O-N 3.12Å; V564-F566 VanDerWaalsContact C-N 3.34Å; V564-F566 PolarHBondContact O-N 2.96Å; F566-L568 VanDerWaalsContact C-N 3.31Å; F566-L568 PolarHBondContact O-N 3.11Å; F566-M569 PolarHBondContact O-N 2.98Å; F566-E570 WeakPolarHBondContact O-CB 3.45Å; F566-E570 PolarHBondContact O-N 3.29Å
567D93.8Very high92.5Very high82 Ų8249.5 Ų49.544%0.43927%0.27SS..Hα-helixtrans-65.3-36.5176.6-65.9-15.7000111.5R506 L563 V564 E570 S571R506-D567 IonicContact CZ-OD1 3.79Å; R506-D567 IonicContact NE-OD1 2.91Å; R506-D567 IonicContact NH2-OD1 2.78Å; R506-D567 PolarHBondContact NH2-OD1 3.13Å; L563-D567 PolarHBondContact O-N 3.04Å; V564-D567 PolarHBondContact O-N 3.36Å; D567-E570 PolarHBondContact O-N 2.94Å; D567-S571 WeakPolarHBondContact O-CB 3.18Å; D567-S571 PolarHBondContact O-N 2.99Å
568L93.9Very high92.5Very high86 Ų8647.5 Ų47.545%0.4526%0.26SS..Hα-helixtrans-62.6-47172.8-179.464000111.5M461 V564 T565 F566 E570 S571 L572M461-L568 HydrophobicContact CE-CD1 4.35Å; M461-L568 HydrophobicContact CE-CD2 3.54Å; M461-L568 HydrophobicContact CE-CG 3.68Å; M461-L568 HydrophobicContact SD-CD2 4.21Å; M461-L568 HydrophobicContact SD-CG 4.19Å; V564-L568 PolarHBondContact O-N 3.43Å; T565-L568 WeakPolarHBondContact O-CB 3.35Å; T565-L568 PolarHBondContact O-N 3.38Å; F566-L568 VanDerWaalsContact C-N 3.31Å; F566-L568 PolarHBondContact O-N 3.11Å; L568-E570 PolarHBondContact O-N 2.89Å; L568-S571 PolarHBondContact O-N 2.96Å; L568-S571 PolarHBondContact O-OG 3.05Å; L568-L572 PolarHBondContact O-N 3.41Å
569M94.7Very high92.4Very high0 Ų043.7 Ų43.70%024%0.237CC..Hα-helixtrans-59.9-46.3175.9-68.1177.7-179.300111.6L453 M457 I460 M461 I502 T565 F566 S571 L572 V573L453-M569 HydrophobicContact CB-CE 4.38Å; L453-M569 HydrophobicContact CB-SD 4.29Å; L453-M569 HydrophobicContact CD1-SD 4.47Å; L453-M569 WeakPolarHBondContact O-CE 3.22Å; M457-M569 HydrophobicContact CB-CE 3.8Å; M457-M569 HydrophobicContact CG-CE 3.66Å; I460-M569 HydrophobicContact CB-CE 4.36Å; I460-M569 HydrophobicContact CD1-CE 4.37Å; I460-M569 HydrophobicContact CG2-CE 4.23Å; I460-M569 HydrophobicContact CG2-CG 4.39Å; I460-M569 HydrophobicContact CG2-SD 4.09Å; M461-M569 HydrophobicContact SD-CG 3.98Å; I502-M569 HydrophobicContact CD1-CB 3.92Å; T565-M569 HydrophobicContact CG2-CE 3.85Å; T565-M569 WeakPolarHBondContact O-CG 3.23Å; T565-M569 PolarHBondContact O-N 3.4Å; F566-M569 PolarHBondContact O-N 2.98Å; M569-S571 VanDerWaalsContact C-N 3.32Å; M569-S571 PolarHBondContact O-N 3.09Å; M569-L572 PolarHBondContact O-N 2.99Å; M569-V573 WeakPolarHBondContact O-CG2 3.49Å; M569-V573 PolarHBondContact O-N 2.82Å
570E94.1Very high92.2Very high70 Ų7043.8 Ų43.833%0.32724%0.239SC..Hα-helixtrans-63.5-38.2179.3-170171.9-122.600111.8I502 R506 F566 D567 L568 L572 V573 V574I502-E570 HydrophobicContact CD1-CB 4.5Å; R506-E570 IonicContact CZ-OE1 2.75Å; R506-E570 IonicContact CZ-OE2 3.77Å; R506-E570 VanDerWaalsContact NH1-CD 3.3Å; R506-E570 IonicContact NH1-OE1 3.74Å; R506-E570 PolarHBondContact NH1-OE1 2.89Å; R506-E570 IonicContact NH1-OE2 3.67Å; R506-E570 PolarHBondContact NH1-OE2 3.39Å; R506-E570 IonicContact NH2-OE1 2.84Å; R506-E570 IonicContact NH2-OE2 2.6Å; R506-E570 PolarHBondContact NH2-OE2 3.28Å; F566-E570 WeakPolarHBondContact O-CB 3.45Å; F566-E570 PolarHBondContact O-N 3.29Å; D567-E570 PolarHBondContact O-N 2.94Å; L568-E570 PolarHBondContact O-N 2.89Å; E570-L572 VanDerWaalsContact C-N 3.26Å; E570-L572 PolarHBondContact O-N 3.27Å; E570-V573 WeakPolarHBondContact O-CB 3.44Å; E570-V573 PolarHBondContact O-N 3.5Å; E570-V573 VanDerWaalsContact O-N 3.15Å; E570-V574 HydrophobicContact CG-CG2 4.49Å; E570-V574 WeakPolarHBondContact O-CG2 3.47Å; E570-V574 PolarHBondContact O-N 2.82Å
571S94.3Very high91.9Very high63 Ų6345.7 Ų45.744%0.44125%0.247SC..Hα-helixtrans-60-36.6175.778.70000112.7D567 L568 M569 R575D567-S571 WeakPolarHBondContact O-CB 3.18Å; D567-S571 PolarHBondContact O-N 2.99Å; L568-S571 PolarHBondContact O-N 2.96Å; L568-S571 PolarHBondContact O-OG 3.05Å; M569-S571 VanDerWaalsContact C-N 3.32Å; M569-S571 PolarHBondContact O-N 3.09Å; S571-R575 WeakPolarHBondContact O-CB 3.35Å; S571-R575 PolarHBondContact O-N 3.21Å
572L93.1Very high91.5Very high18 Ų1846.5 Ų46.59%0.09424%0.243CC..Hα-helixtrans-71.8-40175.1-73.3179.1000111.9M461 L464 L568 M569 E570 R575 I576M461-L572 HydrophobicContact CE-CD1 3.41Å; M461-L572 VanDerWaalsContact CE-CD1 3.41Å; M461-L572 HydrophobicContact SD-CD1 3.75Å; L464-L572 HydrophobicContact CB-CB 4.23Å; L464-L572 HydrophobicContact CB-CD1 4.06Å; L464-L572 HydrophobicContact CD1-CB 3.96Å; L464-L572 HydrophobicContact CD1-CD1 4.17Å; L568-L572 PolarHBondContact O-N 3.41Å; M569-L572 PolarHBondContact O-N 2.99Å; E570-L572 VanDerWaalsContact C-N 3.26Å; E570-L572 PolarHBondContact O-N 3.27Å; L572-R575 PolarHBondContact O-N 3.12Å; L572-I576 WeakPolarHBondContact O-CD1 3.22Å; L572-I576 VanDerWaalsContact O-CG1 3.28Å; L572-I576 WeakPolarHBondContact O-CG1 3.2Å; L572-I576 PolarHBondContact O-N 3.46Å
573V93.8Very high90.4Very high2 Ų248.9 Ų48.91%0.01225%0.253CS..Hα-helixtrans-58.3-50.8174.5171.20000110.3L464 L495 L498 R499 M569 E570 R575 I576 D577L464-V573 HydrophobicContact CD1-CG2 4.39Å; L464-V573 HydrophobicContact CD2-CG2 4Å; L495-V573 HydrophobicContact CD2-CG1 4.27Å; L495-V573 HydrophobicContact CD2-CG2 4.07Å; L498-V573 HydrophobicContact CD2-CG2 3.86Å; R499-V573 HydrophobicContact CG-CG1 4.11Å; M569-V573 WeakPolarHBondContact O-CG2 3.49Å; M569-V573 PolarHBondContact O-N 2.82Å; E570-V573 WeakPolarHBondContact O-CB 3.44Å; E570-V573 PolarHBondContact O-N 3.5Å; E570-V573 VanDerWaalsContact O-N 3.15Å; V573-R575 VanDerWaalsContact C-N 3.32Å; V573-R575 PolarHBondContact O-N 2.95Å; V573-I576 WeakPolarHBondContact O-CB 3.48Å; V573-I576 PolarHBondContact O-N 2.9Å; V573-I576 VanDerWaalsContact O-N 3.1Å; V573-D577 PolarHBondContact O-N 3.13Å; V573-D577 VanDerWaalsContact O-N 3.1Å
574V93Very high89.1Confident70 Ų7055 Ų5542%0.42428%0.28SS..Hα-helixtrans-59.2-44.1177.9173.10000110.8E570 I576 D577 E578E570-V574 HydrophobicContact CG-CG2 4.49Å; E570-V574 WeakPolarHBondContact O-CG2 3.47Å; E570-V574 PolarHBondContact O-N 2.82Å; V574-I576 VanDerWaalsContact C-N 3.26Å; V574-I576 PolarHBondContact O-N 3.18Å; V574-D577 WeakPolarHBondContact O-CB 3.42Å; V574-D577 PolarHBondContact O-N 3.18Å; V574-D577 VanDerWaalsContact O-N 3.13Å; V574-E578 HydrophobicContact CG1-CG 4.49Å; V574-E578 WeakPolarHBondContact O-CG 3.32Å; V574-E578 PolarHBondContact O-N 2.89Å
575R92.6Very high87.1Confident70 Ų7053.6 Ų53.626%0.26429%0.285SS..Hα-helixtrans-63-33.6178-177.356.2-171.5154.69.5112.8S571 L572 V573 E578 I579 E582S571-R575 WeakPolarHBondContact O-CB 3.35Å; S571-R575 PolarHBondContact O-N 3.21Å; L572-R575 PolarHBondContact O-N 3.12Å; V573-R575 VanDerWaalsContact C-N 3.32Å; V573-R575 PolarHBondContact O-N 2.95Å; R575-E578 WeakPolarHBondContact CD-OE2 3.38Å; R575-E578 IonicContact CZ-OE2 3.64Å; R575-E578 IonicContact NE-OE2 2.71Å; R575-E578 IonicContact NH1-OE2 3.17Å; R575-E578 PolarHBondContact NH1-OE2 3.17Å; R575-I579 HydrophobicContact CG-CD1 4.16Å; R575-I579 WeakPolarHBondContact O-CD1 3.42Å; R575-I579 VanDerWaalsContact O-CG1 3.24Å; R575-I579 WeakPolarHBondContact O-CG1 3.28Å; R575-I579 PolarHBondContact O-N 2.86Å; R575-I579 VanDerWaalsContact O-N 3.11Å; R575-E582 IonicContact CZ-OE1 3.06Å; R575-E582 IonicContact NH1-OE1 2.62Å; R575-E582 PolarHBondContact NH1-OE1 3.12Å; R575-E582 IonicContact NH2-OE1 3.03Å
576I92.4Very high84.9Confident1 Ų159.3 Ų59.31%0.00531%0.307CS..Hα-helixtrans-66.5-39.9175.3-74.5163.3000110.9L464 L467 R468 L471 L495 L572 V573 V574 I579 T580L464-I576 HydrophobicContact CB-CD1 4.18Å; L464-I576 HydrophobicContact CD2-CD1 3.72Å; L467-I576 HydrophobicContact CB-CD1 4.07Å; R468-I576 HydrophobicContact CB-CG1 4.12Å; L471-I576 HydrophobicContact CD1-CG2 3.55Å; L495-I576 HydrophobicContact CD1-CG2 3.69Å; L572-I576 WeakPolarHBondContact O-CD1 3.22Å; L572-I576 VanDerWaalsContact O-CG1 3.28Å; L572-I576 WeakPolarHBondContact O-CG1 3.2Å; L572-I576 PolarHBondContact O-N 3.46Å; V573-I576 WeakPolarHBondContact O-CB 3.48Å; V573-I576 PolarHBondContact O-N 2.9Å; V573-I576 VanDerWaalsContact O-N 3.1Å; V574-I576 VanDerWaalsContact C-N 3.26Å; V574-I576 PolarHBondContact O-N 3.18Å; I576-I579 PolarHBondContact O-N 2.82Å; I576-T580 PolarHBondContact O-N 3.17Å; I576-T580 PolarHBondContact O-OG1 2.79Å
577D89.3Confident82.2Confident41 Ų4165 Ų6522%0.21935%0.345CS..Hα-helixtrans-64.4-47.5175-62.1-47.1000111.3R499 V573 V574 I579 T580 E581R499-D577 IonicContact CZ-OD2 3.24Å; R499-D577 IonicContact NH2-OD1 3.17Å; R499-D577 PolarHBondContact NH2-OD1 3.39Å; R499-D577 IonicContact NH2-OD2 2.65Å; R499-D577 PolarHBondContact NH2-OD2 3.49Å; V573-D577 PolarHBondContact O-N 3.13Å; V573-D577 VanDerWaalsContact O-N 3.1Å; V574-D577 WeakPolarHBondContact O-CB 3.42Å; V574-D577 PolarHBondContact O-N 3.18Å; V574-D577 VanDerWaalsContact O-N 3.13Å; D577-I579 VanDerWaalsContact C-N 3.29Å; D577-I579 PolarHBondContact O-N 2.86Å; D577-T580 CarbonylContact O-C 3.6Å; D577-T580 WeakPolarHBondContact O-CA 3.5Å; D577-T580 VanDerWaalsContact O-CB 3.32Å; D577-T580 WeakPolarHBondContact O-CB 3.36Å; D577-T580 PolarHBondContact O-N 3.06Å; D577-E581 PolarHBondContact O-N 2.97Å
578E89.6Confident79.7Confident82 Ų8273.1 Ų73.138%0.38338%0.379SS..Hα-helixtrans-54.2-45.6176.3-71.4174.4177.900111.5V574 R575 T580 E581 E582V574-E578 HydrophobicContact CG1-CG 4.49Å; V574-E578 WeakPolarHBondContact O-CG 3.32Å; V574-E578 PolarHBondContact O-N 2.89Å; R575-E578 WeakPolarHBondContact CD-OE2 3.38Å; R575-E578 IonicContact CZ-OE2 3.64Å; R575-E578 IonicContact NE-OE2 2.71Å; R575-E578 IonicContact NH1-OE2 3.17Å; R575-E578 PolarHBondContact NH1-OE2 3.17Å; E578-T580 VanDerWaalsContact C-N 3.28Å; E578-T580 PolarHBondContact O-N 3.48Å; E578-E581 PolarHBondContact O-N 2.73Å; E578-E582 WeakPolarHBondContact O-CB 3.42Å; E578-E582 VanDerWaalsContact O-CG 3.23Å; E578-E582 WeakPolarHBondContact O-CG 3.42Å; E578-E582 PolarHBondContact O-N 2.92Å
579I87.4Confident79Confident1 Ų172.5 Ų72.51%0.00538%0.376CS..Hα-helixtrans-62.4-39.6176.9-68.1162.7000110.6R468 L471 M472 R575 I576 D577 K583R468-I579 HydrophobicContact CG-CD1 3.8Å; L471-I579 HydrophobicContact CB-CG2 3.86Å; M472-I579 HydrophobicContact CG-CD1 4.05Å; M472-I579 HydrophobicContact CG-CG2 4.41Å; M472-I579 HydrophobicContact SD-CD1 3.68Å; M472-I579 HydrophobicContact SD-CG1 3.81Å; M472-I579 HydrophobicContact SD-CG2 3.84Å; R575-I579 HydrophobicContact CG-CD1 4.16Å; R575-I579 WeakPolarHBondContact O-CD1 3.42Å; R575-I579 VanDerWaalsContact O-CG1 3.24Å; R575-I579 WeakPolarHBondContact O-CG1 3.28Å; R575-I579 PolarHBondContact O-N 2.86Å; R575-I579 VanDerWaalsContact O-N 3.11Å; I576-I579 PolarHBondContact O-N 2.82Å; D577-I579 VanDerWaalsContact C-N 3.29Å; D577-I579 PolarHBondContact O-N 2.86Å; I579-K583 HydrophobicContact CG2-CG 4.47Å; I579-K583 WeakPolarHBondContact O-CB 3.45Å; I579-K583 WeakPolarHBondContact O-CG 3.33Å; I579-K583 PolarHBondContact O-N 3.08Å
580T84.2Confident78.1Confident22 Ų2276.3 Ų76.314%0.13540%0.396CS..Hα-helixtrans-64.4-45.5178.9-55.20000110.6I576 D577 E578 K583 Q584I576-T580 PolarHBondContact O-N 3.17Å; I576-T580 PolarHBondContact O-OG1 2.79Å; D577-T580 CarbonylContact O-C 3.6Å; D577-T580 WeakPolarHBondContact O-CA 3.5Å; D577-T580 VanDerWaalsContact O-CB 3.32Å; D577-T580 WeakPolarHBondContact O-CB 3.36Å; D577-T580 PolarHBondContact O-N 3.06Å; E578-T580 VanDerWaalsContact C-N 3.28Å; E578-T580 PolarHBondContact O-N 3.48Å; T580-K583 PolarHBondContact O-N 3.25Å; T580-Q584 WeakPolarHBondContact O-CG 3.36Å; T580-Q584 PolarHBondContact O-N 3.25Å; T580-Q584 VanDerWaalsContact O-N 3.09Å
581E84.1Confident77.2Confident136 Ų13676.6 Ų76.664%0.63640%0.399SS*.Hα-helixtrans-65.8-45.9177.7-68.7-177.8178.200112.3D577 E578 K583 Q584 G585D577-E581 PolarHBondContact O-N 2.97Å; E578-E581 PolarHBondContact O-N 2.73Å; E581-K583 PolarHBondContact O-N 3.24Å; E581-K583 VanDerWaalsContact O-N 3.12Å; E581-Q584 PolarHBondContact O-N 2.77Å; E581-Q584 VanDerWaalsContact O-N 3.14Å; E581-G585 PolarHBondContact O-N 3.13Å
582E82.8Confident76.2Confident89 Ų8977.4 Ų77.442%0.41640%0.397SS..Hα-helixtrans-56-30.2176.7-78.3175.5-152.700112.4R575 E578R575-E582 IonicContact CZ-OE1 3.06Å; R575-E582 IonicContact NH1-OE1 2.62Å; R575-E582 PolarHBondContact NH1-OE1 3.12Å; R575-E582 IonicContact NH2-OE1 3.03Å; E578-E582 WeakPolarHBondContact O-CB 3.42Å; E578-E582 VanDerWaalsContact O-CG 3.23Å; E578-E582 WeakPolarHBondContact O-CG 3.42Å; E578-E582 PolarHBondContact O-N 2.92Å
583K71.1Confident75.2Confident54 Ų5481.1 Ų81.124%0.23542%0.416CS..Hα-helixtrans-90.2-26.6-178.8-64.3-72.2-170.9152.40113.1M472 D474 I579 T580 E581M472-K583 PolarHBondContact O-NZ 3.18Å; D474-K583 WeakPolarHBondContact OD1-CE 3.4Å; D474-K583 IonicContact OD1-NZ 3.16Å; D474-K583 PolarHBondContact OD1-NZ 3.22Å; I579-K583 HydrophobicContact CG2-CG 4.47Å; I579-K583 WeakPolarHBondContact O-CB 3.45Å; I579-K583 WeakPolarHBondContact O-CG 3.33Å; I579-K583 PolarHBondContact O-N 3.08Å; T580-K583 PolarHBondContact O-N 3.25Å; E581-K583 PolarHBondContact O-N 3.24Å; E581-K583 VanDerWaalsContact O-N 3.12Å
584Q66.1Low73.9Confident156 Ų15686.4 Ų86.473%0.72944%0.443SS*.Hα-helixtrans-76-31.4170.7-71.7177.70.600112T580 E581T580-Q584 WeakPolarHBondContact O-CG 3.36Å; T580-Q584 PolarHBondContact O-N 3.25Å; T580-Q584 VanDerWaalsContact O-N 3.09Å; E581-Q584 PolarHBondContact O-N 2.77Å; E581-Q584 VanDerWaalsContact O-N 3.14Å
585G51.5Low72.6Confident61 Ų6187.6 Ų87.663%0.62944%0.444SS*.SBendtrans-83.2-0.7-178.500000116.3E581 P587E581-G585 PolarHBondContact O-N 3.13Å; G585-P587 VanDerWaalsContact O-CD 3.26Å; G585-P587 WeakPolarHBondContact O-CD 3.49Å
586K45.9Very low71.1Confident140 Ų14088.9 Ų88.961%0.60946%0.458SS*.  trans-94.4106.5174.8-77.4178.2-175.81760109.9
587P38.8Very low69.3Low122 Ų12296.3 Ų96.379%0.79250%0.496SS*.  trans-62.9139166.126.6-30.6000108.9G585G585-P587 VanDerWaalsContact O-CD 3.26Å; G585-P587 WeakPolarHBondContact O-CD 3.49Å
588H40.6Very low67.5Low251 Ų251101.3 Ų101.3100%1.16252%0.521SS*.  trans-60.20175.7-79.7-65.1000112.7

Retrieved 588 of 588 residues in 194.9 ms (Link to these results)

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