A0A096LS30_POEFO Loading...

KASH domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LS30, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 853 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
1M57.8Low82.4Confident145 Ų145114 Ų11471%0.71454%0.535SS*.  0124.60-77.1-69.8-88.800108.3R5 I9M1-R5 HydrophobicContact CE-CG 3.9Å; M1-I9 HydrophobicContact CE-CD1 4.26Å
2S79.8Confident83Confident75 Ų75106.8 Ų106.852%0.52451%0.505SS..  trans-65.3148.5174.41770000111.1E4 R5 R6S2-E4 VanDerWaalsContact C-N 3.27Å; S2-E4 PolarHBondContact O-N 3.45Å; S2-E4 PolarHBondContact OG-N 3.39Å; S2-R5 PolarHBondContact O-N 3.03Å; S2-R6 PolarHBondContact O-N 2.93Å
3M84Confident83.5Confident145 Ų145111 Ų11171%0.71451%0.513SS*.Hα-helixtrans-57.8-41174.6-176.6172.6178.700111.4R5 R6 L7M3-R5 VanDerWaalsContact C-N 3.3Å; M3-R5 PolarHBondContact O-N 3.42Å; M3-R6 WeakPolarHBondContact O-CB 3.17Å; M3-R6 PolarHBondContact O-N 3.48Å; M3-L7 HydrophobicContact CG-CD1 4.38Å; M3-L7 PolarHBondContact O-N 3.13Å
4E79.7Confident84.1Confident111 Ų111115.1 Ų115.152%0.51952%0.522SS..Hα-helixtrans-59.1-39.3176.5-166.4-156.3144.700112.4S2 R6 L7 K8S2-E4 VanDerWaalsContact C-N 3.27Å; S2-E4 PolarHBondContact O-N 3.45Å; S2-E4 PolarHBondContact OG-N 3.39Å; E4-R6 VanDerWaalsContact C-N 3.33Å; E4-R6 PolarHBondContact O-N 3.39Å; E4-L7 PolarHBondContact O-N 3.1Å; E4-K8 HydrophobicContact CG-CD 4.43Å; E4-K8 WeakPolarHBondContact O-CB 3.4Å; E4-K8 WeakPolarHBondContact O-CG 3.34Å; E4-K8 PolarHBondContact O-N 2.99Å; E4-K8 WeakPolarHBondContact OE1-CE 3.47Å; E4-K8 IonicContact OE1-NZ 3.43Å; E4-K8 PolarHBondContact OE1-NZ 3.5Å
5R83.1Confident84.6Confident155 Ų155109.4 Ų109.459%0.58550%0.497SS*.Hα-helixtrans-69.9-28.3176.8-173.3171.3175-171.7-2.4112.2M1 S2 M3 I9M1-R5 HydrophobicContact CE-CG 3.9Å; S2-R5 PolarHBondContact O-N 3.03Å; M3-R5 VanDerWaalsContact C-N 3.3Å; M3-R5 PolarHBondContact O-N 3.42Å; R5-I9 HydrophobicContact CG-CD1 4.27Å; R5-I9 VanDerWaalsContact O-CD1 3.3Å; R5-I9 WeakPolarHBondContact O-CD1 3.5Å; R5-I9 VanDerWaalsContact O-CG1 3.24Å; R5-I9 WeakPolarHBondContact O-CG1 3.23Å; R5-I9 PolarHBondContact O-N 2.98Å
6R84.8Confident85.2Confident156 Ų156107.4 Ų107.459%0.58949%0.485SS*.Hα-helixtrans-70-51.7171.6-71.4-178.7168.3167.9-4.4110.9S2 M3 E4 K8 I9 E10S2-R6 PolarHBondContact O-N 2.93Å; M3-R6 WeakPolarHBondContact O-CB 3.17Å; M3-R6 PolarHBondContact O-N 3.48Å; E4-R6 VanDerWaalsContact C-N 3.33Å; E4-R6 PolarHBondContact O-N 3.39Å; R6-K8 VanDerWaalsContact C-N 3.32Å; R6-K8 PolarHBondContact O-N 2.95Å; R6-I9 WeakPolarHBondContact O-CB 3.4Å; R6-I9 PolarHBondContact O-N 3.13Å; R6-E10 PolarHBondContact O-N 3.3Å
7L87.4Confident85.6Confident95 Ų95107.5 Ų107.550%0.49749%0.486SS..Hα-helixtrans-56.1-43.8178.7-66.8172000112.2M3 E4 I9 E10 E11M3-L7 HydrophobicContact CG-CD1 4.38Å; M3-L7 PolarHBondContact O-N 3.13Å; E4-L7 PolarHBondContact O-N 3.1Å; L7-I9 VanDerWaalsContact C-N 3.31Å; L7-I9 PolarHBondContact O-N 2.96Å; L7-E10 PolarHBondContact O-N 2.96Å; L7-E11 WeakPolarHBondContact O-CB 3.5Å; L7-E11 PolarHBondContact O-N 3.41Å
8K85.2Confident86Confident106 Ų106107.5 Ų107.546%0.46149%0.485SS..Hα-helixtrans-62.9-32.3176.2-77.7175.2170173.90113.5E4 R6 T12E4-K8 HydrophobicContact CG-CD 4.43Å; E4-K8 WeakPolarHBondContact O-CB 3.4Å; E4-K8 WeakPolarHBondContact O-CG 3.34Å; E4-K8 PolarHBondContact O-N 2.99Å; E4-K8 WeakPolarHBondContact OE1-CE 3.47Å; E4-K8 IonicContact OE1-NZ 3.43Å; E4-K8 PolarHBondContact OE1-NZ 3.5Å; R6-K8 VanDerWaalsContact C-N 3.32Å; R6-K8 PolarHBondContact O-N 2.95Å; K8-T12 WeakPolarHBondContact O-CB 3.35Å; K8-T12 PolarHBondContact O-N 2.95Å; K8-T12 PolarHBondContact O-OG1 3.37Å
9I85.1Confident86.5Confident94 Ų94101.9 Ų101.948%0.48246%0.46SS..Hα-helixtrans-74.7-45.3175.4-69.4166.6000110.5M1 R5 R6 L7 E11 T12 W13M1-I9 HydrophobicContact CE-CD1 4.26Å; R5-I9 HydrophobicContact CG-CD1 4.27Å; R5-I9 VanDerWaalsContact O-CD1 3.3Å; R5-I9 WeakPolarHBondContact O-CD1 3.5Å; R5-I9 VanDerWaalsContact O-CG1 3.24Å; R5-I9 WeakPolarHBondContact O-CG1 3.23Å; R5-I9 PolarHBondContact O-N 2.98Å; R6-I9 WeakPolarHBondContact O-CB 3.4Å; R6-I9 PolarHBondContact O-N 3.13Å; L7-I9 VanDerWaalsContact C-N 3.31Å; L7-I9 PolarHBondContact O-N 2.96Å; I9-E11 PolarHBondContact O-N 3.25Å; I9-T12 PolarHBondContact O-N 3.33Å; I9-W13 WeakPolarHBondContact O-CB 3.45Å; I9-W13 PolarHBondContact O-N 3Å
10E89.9Confident86.9Confident95 Ų95100.4 Ų100.444%0.44446%0.456SS..Hα-helixtrans-62.4-40.7178.2-70.4169.2-144.400112.3R6 L7 R14R6-E10 PolarHBondContact O-N 3.3Å; L7-E10 PolarHBondContact O-N 2.96Å; E10-R14 WeakPolarHBondContact O-CG 3.44Å; E10-R14 PolarHBondContact O-N 3.5Å; E10-R14 VanDerWaalsContact O-N 3.07Å
11E89.8Confident87.3Confident77 Ų7798.9 Ų98.936%0.3645%0.451SS..Hα-helixtrans-63.9-46.9173.8-165.7-160.4155.200111.3L7 I9 W13 R14 L15 R80 R86L7-E11 WeakPolarHBondContact O-CB 3.5Å; L7-E11 PolarHBondContact O-N 3.41Å; I9-E11 PolarHBondContact O-N 3.25Å; E11-W13 VanDerWaalsContact C-N 3.33Å; E11-W13 PolarHBondContact O-N 3.49Å; E11-R14 PolarHBondContact O-N 3.34Å; E11-L15 HydrophobicContact CG-CD1 4.31Å; E11-L15 WeakPolarHBondContact O-CG 3.28Å; E11-L15 PolarHBondContact O-N 3.34Å; E11-R80 IonicContact OE1-NH2 2.75Å; E11-R80 PolarHBondContact OE1-NH2 3.37Å; E11-R86 VanDerWaalsContact CD-NH2 3.35Å; E11-R86 IonicContact OE1-CZ 2.79Å; E11-R86 IonicContact OE1-NH1 3.5Å; E11-R86 PolarHBondContact OE1-NH1 3.1Å; E11-R86 IonicContact OE1-NH2 2.73Å; E11-R86 IonicContact OE2-CZ 2.8Å; E11-R86 IonicContact OE2-NH1 3.57Å; E11-R86 PolarHBondContact OE2-NH1 3.29Å; E11-R86 IonicContact OE2-NH2 2.65Å; E11-R86 PolarHBondContact OE2-NH2 2.99Å
12T89.3Confident89Confident27 Ų2793.7 Ų93.717%0.16643%0.426CS..Hα-helixtrans-59.2-44.5178.2-57.60000111.3K8 I9 R14 L15 W16 R86K8-T12 WeakPolarHBondContact O-CB 3.35Å; K8-T12 PolarHBondContact O-N 2.95Å; K8-T12 PolarHBondContact O-OG1 3.37Å; I9-T12 PolarHBondContact O-N 3.33Å; T12-R14 PolarHBondContact O-N 3.03Å; T12-L15 PolarHBondContact O-N 3.39Å; T12-W16 PolarHBondContact O-N 2.99Å; T12-R86 HydrophobicContact CG2-CB 3.96Å; T12-R86 HydrophobicContact CG2-CG 4.08Å; T12-R86 WeakPolarHBondContact OG1-CD 3.48Å; T12-R86 PolarHBondContact OG1-NE 3.23Å
13W89.6Confident89.8Confident162 Ų16290.5 Ų90.561%0.61440%0.403SS*.Hα-helixtrans-62.7-41.6177.6-178.582.1000112.5I9 E11 W16 Q17I9-W13 WeakPolarHBondContact O-CB 3.45Å; I9-W13 PolarHBondContact O-N 3Å; E11-W13 VanDerWaalsContact C-N 3.33Å; E11-W13 PolarHBondContact O-N 3.49Å; W13-W16 PolarHBondContact O-N 2.9Å; W13-Q17 VanDerWaalsContact CZ3-OE1 3.32Å; W13-Q17 WeakPolarHBondContact O-CB 3.43Å; W13-Q17 PolarHBondContact O-N 2.88Å
14R91.8Very high90.4Very high168 Ų16885.9 Ų85.963%0.63439%0.385SS*.Hα-helixtrans-63.6-40.4174-73175.9-177.2175.64.1112.5E10 E11 T12 Q17 K18E10-R14 WeakPolarHBondContact O-CG 3.44Å; E10-R14 PolarHBondContact O-N 3.5Å; E10-R14 VanDerWaalsContact O-N 3.07Å; E11-R14 PolarHBondContact O-N 3.34Å; T12-R14 PolarHBondContact O-N 3.03Å; R14-Q17 PolarHBondContact O-N 3.4Å; R14-K18 WeakPolarHBondContact O-CB 3.29Å; R14-K18 PolarHBondContact O-N 3.09Å
15L92Very high91.1Very high30 Ų3088.1 Ų88.116%0.15739%0.389CS..Hα-helixtrans-66-40.3176.6-68.1170.2000111.6E11 T12 F19 L81E11-L15 HydrophobicContact CG-CD1 4.31Å; E11-L15 WeakPolarHBondContact O-CG 3.28Å; E11-L15 PolarHBondContact O-N 3.34Å; T12-L15 PolarHBondContact O-N 3.39Å; L15-F19 WeakPolarHBondContact O-CB 3.48Å; L15-F19 PolarHBondContact O-N 2.66Å; L15-L81 HydrophobicContact CB-CD2 3.82Å; L15-L81 HydrophobicContact CD1-CD2 4.27Å
16W93.6Very high91.7Very high78 Ų7880.8 Ų80.830%0.29536%0.361SS..Hα-helixtrans-64.3-48.6173.1-7831.3000112T12 W13 K18 F19 L20 R86 D88 L93T12-W16 PolarHBondContact O-N 2.99Å; W13-W16 PolarHBondContact O-N 2.9Å; W16-K18 VanDerWaalsContact C-N 3.29Å; W16-K18 PolarHBondContact O-N 2.93Å; W16-F19 PolarHBondContact O-N 3.39Å; W16-L20 WeakPolarHBondContact O-CB 3.47Å; W16-L20 VanDerWaalsContact O-CG 3.32Å; W16-L20 WeakPolarHBondContact O-CG 3.47Å; W16-L20 PolarHBondContact O-N 3.22Å; W16-R86 PolarHBondContact NE1-O 2.88Å; W16-D88 HydrophobicContact CH2-CB 3.45Å; W16-D88 VanDerWaalsContact CH2-CB 3.45Å; W16-D88 HydrophobicContact CZ2-CB 3.89Å; W16-D88 HydrophobicContact CZ3-CB 4.21Å; W16-L93 HydrophobicContact CD2-CD1 4.12Å; W16-L93 HydrophobicContact CG-CD1 4.49Å; W16-L93 HydrophobicContact CZ2-CD1 4.13Å
17Q93.2Very high92.2Very high109 Ų10975.9 Ų75.951%0.50935%0.345SS..Hα-helixtrans-58.9-43.6-179.9-172.5-175.14.700110.8W13 R14 L20 D21W13-Q17 VanDerWaalsContact CZ3-OE1 3.32Å; W13-Q17 WeakPolarHBondContact O-CB 3.43Å; W13-Q17 PolarHBondContact O-N 2.88Å; R14-Q17 PolarHBondContact O-N 3.4Å; Q17-L20 PolarHBondContact O-N 3.25Å; Q17-D21 WeakPolarHBondContact O-CB 3.4Å; Q17-D21 PolarHBondContact O-N 2.93Å
18K92.7Very high92.7Very high107 Ų10775.6 Ų75.647%0.46534%0.344SS..Hα-helixtrans-62.9-47.5174.4177.2164.6-179.2167.70112.1R14 W16 L20 D21 D22R14-K18 WeakPolarHBondContact O-CB 3.29Å; R14-K18 PolarHBondContact O-N 3.09Å; W16-K18 VanDerWaalsContact C-N 3.29Å; W16-K18 PolarHBondContact O-N 2.93Å; K18-L20 VanDerWaalsContact C-N 3.28Å; K18-L20 PolarHBondContact O-N 3.31Å; K18-D21 PolarHBondContact O-N 3.26Å; K18-D22 WeakPolarHBondContact CE-OD2 3.33Å; K18-D22 WeakPolarHBondContact CG-OD2 3.29Å; K18-D22 WeakPolarHBondContact O-CB 3.5Å; K18-D22 PolarHBondContact O-N 3.23Å
19F94.8Very high93.2Very high1 Ų172.3 Ų72.30%0.00433%0.329CS..Hα-helixtrans-56.7-42.9177.4169.4-87.5000111.9L15 W16 Y23 I74 Q77 L81 L93 V97L15-F19 WeakPolarHBondContact O-CB 3.48Å; L15-F19 PolarHBondContact O-N 2.66Å; W16-F19 PolarHBondContact O-N 3.39Å; F19-Y23 HydrophobicContact CZ-CD2 4.07Å; F19-Y23 HydrophobicContact CZ-CG 4.44Å; F19-Y23 WeakPolarHBondContact O-CB 3.33Å; F19-Y23 PolarHBondContact O-N 3.49Å; F19-I74 HydrophobicContact CD2-CG2 4.41Å; F19-I74 HydrophobicContact CE2-CG2 3.67Å; F19-I74 HydrophobicContact CZ-CG2 4.29Å; F19-Q77 HydrophobicContact CD2-CB 4.14Å; F19-L81 HydrophobicContact CB-CD1 4.44Å; F19-L93 HydrophobicContact CD1-CD2 3.61Å; F19-L93 HydrophobicContact CE1-CD2 3.55Å; F19-V97 HydrophobicContact CE2-CG2 3.68Å; F19-V97 HydrophobicContact CZ-CG2 3.55Å
20L94.6Very high93.7Very high72 Ų7267.9 Ų67.938%0.37731%0.306SS..Hα-helixtrans-69.9-37.2-179.4-68.2171000112.4W16 Q17 K18 S24 L93 M96W16-L20 WeakPolarHBondContact O-CB 3.47Å; W16-L20 VanDerWaalsContact O-CG 3.32Å; W16-L20 WeakPolarHBondContact O-CG 3.47Å; W16-L20 PolarHBondContact O-N 3.22Å; Q17-L20 PolarHBondContact O-N 3.25Å; K18-L20 VanDerWaalsContact C-N 3.28Å; K18-L20 PolarHBondContact O-N 3.31Å; L20-S24 VanDerWaalsContact O-CB 3.26Å; L20-S24 WeakPolarHBondContact O-CB 3.36Å; L20-S24 PolarHBondContact O-N 2.99Å; L20-S24 PolarHBondContact O-OG 3.38Å; L20-L93 HydrophobicContact CD2-CD2 4.24Å; L20-M96 HydrophobicContact CD2-CE 3.87Å; L20-M96 HydrophobicContact CD2-SD 4.27Å
21D95.5Very high94Very high69 Ų6966.5 Ų66.537%0.36930%0.298SS..Hα-helixtrans-65.9-54.1173.6-175.317.4000110.9Q17 K18 Y23 S24 R25Q17-D21 WeakPolarHBondContact O-CB 3.4Å; Q17-D21 PolarHBondContact O-N 2.93Å; K18-D21 PolarHBondContact O-N 3.26Å; D21-Y23 VanDerWaalsContact C-N 3.31Å; D21-Y23 PolarHBondContact O-N 3.39Å; D21-S24 PolarHBondContact O-N 3.37Å; D21-S24 PolarHBondContact O-OG 3.46Å; D21-R25 WeakPolarHBondContact O-CG 3.38Å; D21-R25 PolarHBondContact O-N 3.29Å; D21-R25 IonicContact OD1-CZ 2.76Å; D21-R25 VanDerWaalsContact OD1-CZ 3.24Å; D21-R25 IonicContact OD1-NE 3.15Å; D21-R25 PolarHBondContact OD1-NE 3.02Å; D21-R25 IonicContact OD1-NH2 2.66Å; D21-R25 PolarHBondContact OD1-NH2 3.47Å; D21-R25 IonicContact OD2-CZ 2.75Å; D21-R25 IonicContact OD2-NE 2.64Å; D21-R25 IonicContact OD2-NH2 2.84Å; D21-R25 PolarHBondContact OD2-NH2 3.43Å
22D94.4Very high94.3Very high35 Ų3566.9 Ų66.919%0.18731%0.306CS..Hα-helixtrans-54.9-44.7176.2-70.7-19.2000111.3K18 F26 I74K18-D22 WeakPolarHBondContact CE-OD2 3.33Å; K18-D22 WeakPolarHBondContact CG-OD2 3.29Å; K18-D22 WeakPolarHBondContact O-CB 3.5Å; K18-D22 PolarHBondContact O-N 3.23Å; D22-F26 PolarHBondContact O-N 2.84Å; D22-I74 HydrophobicContact CB-CG1 4.25Å
23Y95.9Very high94.5Very high8 Ų865.8 Ų65.83%0.03130%0.299CS..Hα-helixtrans-66.5-43.5177.6-175.5-82.4000112.7F19 D21 R25 F26 E27 I74 M96F19-Y23 HydrophobicContact CZ-CD2 4.07Å; F19-Y23 HydrophobicContact CZ-CG 4.44Å; F19-Y23 WeakPolarHBondContact O-CB 3.33Å; F19-Y23 PolarHBondContact O-N 3.49Å; D21-Y23 VanDerWaalsContact C-N 3.31Å; D21-Y23 PolarHBondContact O-N 3.39Å; Y23-R25 VanDerWaalsContact C-N 3.32Å; Y23-R25 PolarHBondContact O-N 2.95Å; Y23-F26 WeakPolarHBondContact O-CB 3.24Å; Y23-F26 PolarHBondContact O-N 3.23Å; Y23-E27 HydrophobicContact CD1-CB 4.26Å; Y23-E27 HydrophobicContact CE1-CB 3.94Å; Y23-E27 HydrophobicContact CE1-CG 3.95Å; Y23-E27 WeakPolarHBondContact CE1-OE2 3.48Å; Y23-E27 WeakPolarHBondContact O-CB 3.39Å; Y23-E27 PolarHBondContact O-N 3.44Å; Y23-I74 HydrophobicContact CD2-CG2 3.92Å; Y23-M96 HydrophobicContact CD1-CE 3.35Å; Y23-M96 HydrophobicContact CE1-CB 4.36Å; Y23-M96 HydrophobicContact CE1-CE 3.53Å; Y23-M96 HydrophobicContact CE2-CB 4.04Å; Y23-M96 VanDerWaalsContact CE2-O 3.27Å; Y23-M96 WeakPolarHBondContact CE2-O 3.44Å; Y23-M96 HydrophobicContact CG-CE 3.93Å; Y23-M96 PolarHBondContact OH-O 3.34Å
24S95.7Very high94.8Very high48 Ų4860.8 Ų60.834%0.33628%0.283SS..Hα-helixtrans-61-41-176.8670000112.5L20 D21 E27 D28L20-S24 VanDerWaalsContact O-CB 3.26Å; L20-S24 WeakPolarHBondContact O-CB 3.36Å; L20-S24 PolarHBondContact O-N 2.99Å; L20-S24 PolarHBondContact O-OG 3.38Å; D21-S24 PolarHBondContact O-N 3.37Å; D21-S24 PolarHBondContact O-OG 3.46Å; S24-E27 PolarHBondContact O-N 3.03Å; S24-D28 PolarHBondContact O-N 3.49Å
25R95.1Very high94.9Very high158 Ų15860.2 Ų60.260%0.59629%0.285SS*.Hα-helixtrans-64-42.4176.2-61.2169.6-168-147.88.2111.8D21 Y23 W29D21-R25 WeakPolarHBondContact O-CG 3.38Å; D21-R25 PolarHBondContact O-N 3.29Å; D21-R25 IonicContact OD1-CZ 2.76Å; D21-R25 VanDerWaalsContact OD1-CZ 3.24Å; D21-R25 IonicContact OD1-NE 3.15Å; D21-R25 PolarHBondContact OD1-NE 3.02Å; D21-R25 IonicContact OD1-NH2 2.66Å; D21-R25 PolarHBondContact OD1-NH2 3.47Å; D21-R25 IonicContact OD2-CZ 2.75Å; D21-R25 IonicContact OD2-NE 2.64Å; D21-R25 IonicContact OD2-NH2 2.84Å; D21-R25 PolarHBondContact OD2-NH2 3.43Å; Y23-R25 VanDerWaalsContact C-N 3.32Å; Y23-R25 PolarHBondContact O-N 2.95Å; R25-W29 PolarHBondContact O-N 2.99Å; R25-W29 VanDerWaalsContact O-N 3.09Å
26F95.9Very high94.8Very high2 Ų261.7 Ų61.71%0.00930%0.295CS..Hα-helixtrans-64.7-41.4173.9173.2-99.5000111.8D22 Y23 D28 W29 L30 Q70 L71 I74 W104D22-F26 PolarHBondContact O-N 2.84Å; Y23-F26 WeakPolarHBondContact O-CB 3.24Å; Y23-F26 PolarHBondContact O-N 3.23Å; F26-D28 PolarHBondContact O-N 3.05Å; F26-W29 HydrophobicContact CD2-CE3 4.28Å; F26-W29 HydrophobicContact CE2-CE3 4.15Å; F26-W29 HydrophobicContact CE2-CZ3 4.1Å; F26-W29 PolarHBondContact O-N 3.46Å; F26-L30 HydrophobicContact CE1-CD2 3.86Å; F26-L30 HydrophobicContact CZ-CD2 4.17Å; F26-L30 WeakPolarHBondContact O-CB 3.15Å; F26-L30 PolarHBondContact O-N 3.27Å; F26-Q70 HydrophobicContact CD2-CB 4.48Å; F26-L71 HydrophobicContact CE1-CD1 3.91Å; F26-L71 HydrophobicContact CE2-CB 3.92Å; F26-L71 HydrophobicContact CZ-CB 4.01Å; F26-L71 HydrophobicContact CZ-CD1 3.8Å; F26-L71 HydrophobicContact CZ-CD2 4.16Å; F26-L71 HydrophobicContact CZ-CG 4.2Å; F26-I74 HydrophobicContact CB-CD1 3.47Å; F26-I74 VanDerWaalsContact CB-CD1 3.47Å; F26-I74 HydrophobicContact CD1-CD1 4.06Å; F26-I74 HydrophobicContact CD2-CD1 4.41Å; F26-I74 HydrophobicContact CG-CD1 3.72Å; F26-W104 HydrophobicContact CZ-CB 4.23Å
27E95.8Very high94.8Very high52 Ų5258 Ų5824%0.24328%0.281CS..Hα-helixtrans-64.1-39.1179.3-157.3-158.2135.600112.2Y23 S24 L30 K31Y23-E27 HydrophobicContact CD1-CB 4.26Å; Y23-E27 HydrophobicContact CE1-CB 3.94Å; Y23-E27 HydrophobicContact CE1-CG 3.95Å; Y23-E27 WeakPolarHBondContact CE1-OE2 3.48Å; Y23-E27 WeakPolarHBondContact O-CB 3.39Å; Y23-E27 PolarHBondContact O-N 3.44Å; S24-E27 PolarHBondContact O-N 3.03Å; E27-L30 PolarHBondContact O-N 3.22Å; E27-K31 VanDerWaalsContact CD-NZ 3.33Å; E27-K31 VanDerWaalsContact O-CG 3.24Å; E27-K31 WeakPolarHBondContact O-CG 3.13Å; E27-K31 PolarHBondContact O-N 2.88Å; E27-K31 WeakPolarHBondContact OE1-CE 3.41Å; E27-K31 IonicContact OE1-NZ 3.53Å; E27-K31 PolarHBondContact OE1-NZ 2.9Å
28D96.1Very high94.6Very high89 Ų8954.7 Ų54.748%0.47627%0.272SS..Hα-helixtrans-75.4-34.5178.2-73.7-14.4000113S24 F26 K31 T32S24-D28 PolarHBondContact O-N 3.49Å; F26-D28 PolarHBondContact O-N 3.05Å; D28-K31 IonicContact OD1-NZ 2.72Å; D28-K31 PolarHBondContact OD1-NZ 3.48Å; D28-T32 PolarHBondContact O-N 2.91Å; D28-T32 PolarHBondContact O-OG1 2.91Å
29W96.6Very high93.9Very high38 Ų3857 Ų5714%0.14429%0.289CS..Hα-helixtrans-61.5-44.7165.3173.183.3000111.2R25 F26 T32 S33 V64 C67 L107R25-W29 PolarHBondContact O-N 2.99Å; R25-W29 VanDerWaalsContact O-N 3.09Å; F26-W29 HydrophobicContact CD2-CE3 4.28Å; F26-W29 HydrophobicContact CE2-CE3 4.15Å; F26-W29 HydrophobicContact CE2-CZ3 4.1Å; F26-W29 PolarHBondContact O-N 3.46Å; W29-T32 WeakPolarHBondContact O-CB 3.44Å; W29-T32 PolarHBondContact O-N 3.18Å; W29-T32 VanDerWaalsContact O-N 3.13Å; W29-S33 VanDerWaalsContact CZ2-OG 3.29Å; W29-S33 WeakPolarHBondContact CZ2-OG 3.13Å; W29-S33 PolarHBondContact NE1-OG 3.15Å; W29-S33 WeakPolarHBondContact O-CB 3.08Å; W29-S33 PolarHBondContact O-N 3.37Å; W29-S33 PolarHBondContact O-OG 3.16Å; W29-S33 VanDerWaalsContact O-OG 3.05Å; W29-V64 HydrophobicContact CH2-CB 4.45Å; W29-V64 HydrophobicContact CH2-CG2 4.12Å; W29-V64 HydrophobicContact CZ2-CG2 4.18Å; W29-C67 HydrophobicContact CD2-CB 4.31Å; W29-C67 HydrophobicContact CE3-CB 4.16Å; W29-C67 HydrophobicContact CH2-CB 3.61Å; W29-C67 HydrophobicContact CZ2-CB 3.75Å; W29-C67 HydrophobicContact CZ3-CB 3.82Å; W29-L107 HydrophobicContact CH2-CD2 4.04Å; W29-L107 HydrophobicContact CZ3-CD2 4.31Å
30L96.3Very high93.4Very high0 Ų058.1 Ų58.10%030%0.297CS..Hα-helixtrans-64.2-46.4-177.9-173.462.9000111.3F26 E27 T32 S33 E34 R103 W104 L107F26-L30 HydrophobicContact CE1-CD2 3.86Å; F26-L30 HydrophobicContact CZ-CD2 4.17Å; F26-L30 WeakPolarHBondContact O-CB 3.15Å; F26-L30 PolarHBondContact O-N 3.27Å; E27-L30 PolarHBondContact O-N 3.22Å; L30-T32 PolarHBondContact O-N 2.58Å; L30-S33 PolarHBondContact O-N 3.3Å; L30-E34 HydrophobicContact CD1-CG 4.48Å; L30-E34 HydrophobicContact CG-CG 4.45Å; L30-E34 WeakPolarHBondContact O-CB 3.27Å; L30-E34 VanDerWaalsContact O-CG 3.24Å; L30-E34 WeakPolarHBondContact O-CG 3.42Å; L30-E34 PolarHBondContact O-N 3.12Å; L30-R103 HydrophobicContact CD2-CB 3.7Å; L30-R103 HydrophobicContact CG-CB 4.42Å; L30-W104 HydrophobicContact CD1-CB 4.4Å; L30-L107 HydrophobicContact CD1-CD2 3.75Å
31K96.1Very high92.8Very high67 Ų6758.6 Ų58.629%0.29130%0.299SS..Hα-helixtrans-55.3-34.6172.1-73.7164.9-164.4152.20113.1E27 D28 E34 K35E27-K31 VanDerWaalsContact CD-NZ 3.33Å; E27-K31 VanDerWaalsContact O-CG 3.24Å; E27-K31 WeakPolarHBondContact O-CG 3.13Å; E27-K31 PolarHBondContact O-N 2.88Å; E27-K31 WeakPolarHBondContact OE1-CE 3.41Å; E27-K31 IonicContact OE1-NZ 3.53Å; E27-K31 PolarHBondContact OE1-NZ 2.9Å; D28-K31 IonicContact OD1-NZ 2.72Å; D28-K31 PolarHBondContact OD1-NZ 3.48Å; K31-E34 WeakPolarHBondContact CA-OE2 3.45Å; K31-K35 WeakPolarHBondContact O-CD 3.37Å; K31-K35 VanDerWaalsContact O-CG 3.27Å; K31-K35 WeakPolarHBondContact O-CG 3.48Å; K31-K35 PolarHBondContact O-N 3.27Å
32T94.9Very high91.9Very high84 Ų8455.6 Ų55.652%0.51528%0.284SS..Hα-helixtrans-77-44.5-179.7-56.20000110.2D28 W29 L30 K35 T36D28-T32 PolarHBondContact O-N 2.91Å; D28-T32 PolarHBondContact O-OG1 2.91Å; W29-T32 WeakPolarHBondContact O-CB 3.44Å; W29-T32 PolarHBondContact O-N 3.18Å; W29-T32 VanDerWaalsContact O-N 3.13Å; L30-T32 PolarHBondContact O-N 2.58Å; T32-K35 WeakPolarHBondContact O-CB 3.41Å; T32-K35 PolarHBondContact O-N 2.82Å; T32-T36 PolarHBondContact O-N 3.09Å; T32-T36 VanDerWaalsContact O-N 3.07Å; T32-T36 PolarHBondContact O-OG1 2.74Å
33S94.8Very high91Very high4 Ų457.5 Ų57.53%0.02830%0.3CS..Hα-helixtrans-65.7-39177.3-62.80000113W29 L30 K35 T36 A37 F60W29-S33 VanDerWaalsContact CZ2-OG 3.29Å; W29-S33 WeakPolarHBondContact CZ2-OG 3.13Å; W29-S33 PolarHBondContact NE1-OG 3.15Å; W29-S33 WeakPolarHBondContact O-CB 3.08Å; W29-S33 PolarHBondContact O-N 3.37Å; W29-S33 PolarHBondContact O-OG 3.16Å; W29-S33 VanDerWaalsContact O-OG 3.05Å; L30-S33 PolarHBondContact O-N 3.3Å; S33-K35 VanDerWaalsContact C-N 3.31Å; S33-K35 PolarHBondContact O-N 3.37Å; S33-T36 PolarHBondContact O-N 3.25Å; S33-A37 PolarHBondContact O-N 3.37Å; S33-F60 WeakPolarHBondContact O-CZ 3.48Å
34E95.3Very high90.1Very high58 Ų5859.6 Ų59.627%0.27132%0.324SS..Hα-helixtrans-59.6-39.4172.2-75169.3143.100111.9L30 K31 A37 A38 R103L30-E34 HydrophobicContact CD1-CG 4.48Å; L30-E34 HydrophobicContact CG-CG 4.45Å; L30-E34 WeakPolarHBondContact O-CB 3.27Å; L30-E34 VanDerWaalsContact O-CG 3.24Å; L30-E34 WeakPolarHBondContact O-CG 3.42Å; L30-E34 PolarHBondContact O-N 3.12Å; K31-E34 WeakPolarHBondContact CA-OE2 3.45Å; E34-A37 PolarHBondContact O-N 3.1Å; E34-A38 PolarHBondContact O-N 3.28Å; E34-A38 VanDerWaalsContact O-N 3.07Å; E34-R103 WeakPolarHBondContact OE1-CB 3.31Å; E34-R103 IonicContact OE1-CZ 3.25Å; E34-R103 IonicContact OE1-NE 2.75Å; E34-R103 PolarHBondContact OE1-NE 3.28Å; E34-R103 IonicContact OE1-NH2 3.45Å; E34-R103 IonicContact OE2-CZ 2.71Å; E34-R103 IonicContact OE2-NE 3.1Å; E34-R103 PolarHBondContact OE2-NE 2.98Å; E34-R103 IonicContact OE2-NH2 2.74Å; E34-R103 PolarHBondContact OE2-NH2 2.98Å
35K93.1Very high89.7Confident156 Ų15658.3 Ų58.368%0.67831%0.314SS*.Hα-helixtrans-67.3-43.4174.8-70.8166.7-174175.80111.9K31 T32 S33 A37 A38K31-K35 WeakPolarHBondContact O-CD 3.37Å; K31-K35 VanDerWaalsContact O-CG 3.27Å; K31-K35 WeakPolarHBondContact O-CG 3.48Å; K31-K35 PolarHBondContact O-N 3.27Å; T32-K35 WeakPolarHBondContact O-CB 3.41Å; T32-K35 PolarHBondContact O-N 2.82Å; S33-K35 VanDerWaalsContact C-N 3.31Å; S33-K35 PolarHBondContact O-N 3.37Å; K35-A37 VanDerWaalsContact C-N 3.28Å; K35-A37 PolarHBondContact O-N 3.27Å; K35-A38 VanDerWaalsContact O-CB 3.22Å; K35-A38 WeakPolarHBondContact O-CB 3.4Å; K35-A38 PolarHBondContact O-N 2.95Å
36T91.3Very high89.4Confident61 Ų6153.2 Ų53.237%0.37430%0.298SS..Hα-helixtrans-59.2-39.8175-56.80000111.7T32 S33 A38 F60T32-T36 PolarHBondContact O-N 3.09Å; T32-T36 VanDerWaalsContact O-N 3.07Å; T32-T36 PolarHBondContact O-OG1 2.74Å; S33-T36 PolarHBondContact O-N 3.25Å; T36-A38 VanDerWaalsContact C-N 3.3Å; T36-A38 PolarHBondContact O-N 2.79Å; T36-F60 HydrophobicContact CG2-CD1 4.43Å; T36-F60 HydrophobicContact CG2-CE1 4.21Å; T36-F60 HydrophobicContact CG2-CE2 4.36Å; T36-F60 HydrophobicContact CG2-CZ 4.17Å
37A92.9Very high89Confident0 Ų054.8 Ų54.80%030%0.304CS..THydrogen-bonded Turntrans-77.4-9.8175.600000114.2S33 E34 K35 F60 L107 R110 V111 I114S33-A37 PolarHBondContact O-N 3.37Å; E34-A37 PolarHBondContact O-N 3.1Å; K35-A37 VanDerWaalsContact C-N 3.28Å; K35-A37 PolarHBondContact O-N 3.27Å; A37-F60 HydrophobicContact CB-CE1 4.37Å; A37-L107 HydrophobicContact CB-CD1 3.67Å; A37-R110 HydrophobicContact CB-CG 4.33Å; A37-R110 PolarHBondContact O-NE 3.34Å; A37-V111 HydrophobicContact CB-CG2 4.43Å; A37-I114 HydrophobicContact CB-CD1 4.46Å
38A88.4Confident88.7Confident39 Ų3956.5 Ų56.532%0.32232%0.318SS..THydrogen-bonded Turntrans-69-45.2-171.300000112.8E34 K35 T36 R110E34-A38 PolarHBondContact O-N 3.28Å; E34-A38 VanDerWaalsContact O-N 3.07Å; K35-A38 VanDerWaalsContact O-CB 3.22Å; K35-A38 WeakPolarHBondContact O-CB 3.4Å; K35-A38 PolarHBondContact O-N 2.95Å; T36-A38 VanDerWaalsContact C-N 3.3Å; T36-A38 PolarHBondContact O-N 2.79Å; A38-R110 PolarHBondContact O-NH2 3.4Å
39L79.3Confident88.5Confident156 Ų15654.5 Ų54.582%0.81731%0.309SS*.SBendtrans-128.782.8-176.4-66.1173.2000110.6
40P82.9Confident88.1Confident25 Ų2552.7 Ų52.716%0.16230%0.302CS..  trans-90.9128.5-176.633.5-31.8000112.2S42 F57 I114P40-S42 VanDerWaalsContact C-N 3.29Å; P40-S42 PolarHBondContact O-N 3.38Å; P40-S42 PolarHBondContact O-OG 3.03Å; P40-F57 HydrophobicContact CB-CE2 3.86Å; P40-F57 HydrophobicContact CB-CZ 3.79Å; P40-I114 HydrophobicContact CB-CD1 3.75Å; P40-I114 HydrophobicContact CB-CG1 3.93Å; P40-I114 HydrophobicContact CB-CG2 3.74Å; P40-I114 HydrophobicContact CG-CD1 3.65Å; P40-I114 HydrophobicContact CG-CG1 3.67Å; P40-I114 HydrophobicContact CG-CG2 4.33Å
41N81.9Confident87.9Confident82 Ų8255.8 Ų55.844%0.43932%0.316SS..SBendtrans-71.677.9-179.3-71.4-8.4000111.4V45 V49 E53N41-V45 HydrophobicContact CB-CG1 4Å; N41-V49 HydrophobicContact CB-CG1 4.48Å; N41-E53 HydrophobicContact CB-CB 4.41Å; N41-E53 HydrophobicContact CB-CG 3.9Å; N41-E53 PolarHBondContact N-OE1 2.92Å; N41-E53 WeakPolarHBondContact O-CG 3.1Å
42S76.6Confident87.8Confident6 Ų659.1 Ų59.14%0.04233%0.333CS..  trans-146.619.4-16153.80000114.9P40 R117P40-S42 VanDerWaalsContact C-N 3.29Å; P40-S42 PolarHBondContact O-N 3.38Å; P40-S42 PolarHBondContact O-OG 3.03Å; S42-R117 WeakPolarHBondContact O-CD 3.45Å; S42-R117 WeakPolarHBondContact O-CG 3.46Å; S42-R117 VanDerWaalsContact O-CZ 3.26Å; S42-R117 PolarHBondContact O-NE 3.14Å; S42-R117 PolarHBondContact O-NH2 3.25Å; S42-R117 PolarHBondContact OG-NH2 2.82Å
43S76.6Confident87.7Confident75 Ų7555.8 Ų55.852%0.52431%0.311SS..SBendtrans-170.5130.2171.2500000107.8R117S43-R117 VanDerWaalsContact CB-NH1 3.33Å; S43-R117 VanDerWaalsContact OG-CZ 3.31Å; S43-R117 PolarHBondContact OG-NH1 2.92Å; S43-R117 PolarHBondContact OG-NH2 2.98Å
44G77.3Confident87.6Confident51 Ų5156.7 Ų56.753%0.52632%0.315SS..SBendtrans66.553.3-169.600000111.4E193G44-E193 WeakPolarHBondContact CA-OE1 3.43Å
45V85.9Confident87.6Confident22 Ų2261.2 Ų61.213%0.13333%0.334CS..SBendtrans-146149.9-179.7-65.10000109.7N41 V49 A50 E193N41-V45 HydrophobicContact CB-CG1 4Å; V45-V49 HydrophobicContact CB-CG1 4.41Å; V45-A50 HydrophobicContact CG2-CB 4.15Å; V45-E193 VanDerWaalsContact C-CG 3.48Å
46L89Confident87.7Confident51 Ų5158.7 Ų58.727%0.26732%0.323SS..  trans-62.2147177.9-60.6169.6000111.8T48 V49 A50 E193 L195 D196L46-T48 VanDerWaalsContact C-N 3.27Å; L46-T48 PolarHBondContact O-N 3.47Å; L46-V49 HydrophobicContact CB-CB 4.38Å; L46-V49 HydrophobicContact CB-CG2 4.13Å; L46-V49 CarbonylContact O-C 3.52Å; L46-V49 WeakPolarHBondContact O-CA 3.46Å; L46-V49 WeakPolarHBondContact O-CB 3.34Å; L46-V49 PolarHBondContact O-N 2.7Å; L46-A50 PolarHBondContact O-N 3.37Å; L46-E193 HydrophobicContact CD2-CB 3.77Å; L46-L195 HydrophobicContact CD2-CB 3.83Å; L46-L195 HydrophobicContact CD2-CD1 4.23Å; L46-D196 WeakPolarHBondContact CA-OD2 3.19Å; L46-D196 WeakPolarHBondContact CD2-OD1 3.12Å
47Y89Confident87.8Confident35 Ų3555.8 Ų55.814%0.13731%0.305CS..Hα-helixtrans-52.5-41.2178.3174.1-134.3000113A50 K51 I122 R125 E126 E129 D196Y47-A50 PolarHBondContact O-N 3.02Å; Y47-K51 HydrophobicContact CD2-CD 4.47Å; Y47-K51 HydrophobicContact CE2-CD 4.03Å; Y47-K51 VanDerWaalsContact CE2-CE 3.49Å; Y47-K51 HydrophobicContact CE2-CG 4.45Å; Y47-K51 PolarHBondContact O-N 3.17Å; Y47-K51 PolarHBondContact OH-NZ 3.36Å; Y47-I122 HydrophobicContact CE2-CG2 4.35Å; Y47-R125 HydrophobicContact CD1-CG 4.28Å; Y47-R125 HydrophobicContact CD2-CB 4.27Å; Y47-R125 HydrophobicContact CD2-CG 4.01Å; Y47-R125 HydrophobicContact CE1-CG 3.92Å; Y47-R125 HydrophobicContact CE2-CB 3.9Å; Y47-R125 HydrophobicContact CE2-CG 3.65Å; Y47-R125 HydrophobicContact CG-CG 4.3Å; Y47-E126 WeakPolarHBondContact OH-CG 3.2Å; Y47-E129 PolarHBondContact OH-OE2 3.36Å; Y47-D196 PolarHBondContact N-OD2 3.11Å
48T89.2Confident88Confident87 Ų8758.3 Ų58.353%0.53432%0.317SS..Hα-helixtrans-61.9-48.7173.850.70000111.9L46 A50 K51 E52L46-T48 VanDerWaalsContact C-N 3.27Å; L46-T48 PolarHBondContact O-N 3.47Å; T48-A50 VanDerWaalsContact C-N 3.32Å; T48-A50 PolarHBondContact O-N 3.01Å; T48-K51 PolarHBondContact O-N 3.07Å; T48-E52 PolarHBondContact O-N 3.21Å
49V90.4Very high88.2Confident47 Ų4759.2 Ų59.229%0.28532%0.324SS..Hα-helixtrans-64.2-36.4176.9178.20000111.2N41 V45 L46 E52 E53N41-V49 HydrophobicContact CB-CG1 4.48Å; V45-V49 HydrophobicContact CB-CG1 4.41Å; L46-V49 HydrophobicContact CB-CB 4.38Å; L46-V49 HydrophobicContact CB-CG2 4.13Å; L46-V49 CarbonylContact O-C 3.52Å; L46-V49 WeakPolarHBondContact O-CA 3.46Å; L46-V49 WeakPolarHBondContact O-CB 3.34Å; L46-V49 PolarHBondContact O-N 2.7Å; V49-E52 PolarHBondContact O-N 3.05Å; V49-E53 VanDerWaalsContact O-CB 3.29Å; V49-E53 WeakPolarHBondContact O-CB 3.25Å; V49-E53 PolarHBondContact O-N 2.99Å
50A90.1Very high89Confident0 Ų052.5 Ų52.50%029%0.289CS..Hα-helixtrans-64.8-41.5173.700000111.8V45 L46 Y47 T48 E53 L54 L118 F121 I122V45-A50 HydrophobicContact CG2-CB 4.15Å; L46-A50 PolarHBondContact O-N 3.37Å; Y47-A50 PolarHBondContact O-N 3.02Å; T48-A50 VanDerWaalsContact C-N 3.32Å; T48-A50 PolarHBondContact O-N 3.01Å; A50-E53 PolarHBondContact O-N 3.39Å; A50-L54 VanDerWaalsContact O-CB 3.28Å; A50-L54 WeakPolarHBondContact O-CB 3.49Å; A50-L54 PolarHBondContact O-N 2.84Å; A50-L118 HydrophobicContact CB-CD2 4.11Å; A50-F121 HydrophobicContact CB-CD1 3.81Å; A50-F121 HydrophobicContact CB-CE1 3.81Å; A50-I122 HydrophobicContact CB-CD1 4.31Å; A50-I122 HydrophobicContact CB-CG1 4.33Å
51K91.2Very high89.6Confident65 Ų6555.6 Ų55.628%0.28330%0.301SS..Hα-helixtrans-65.6-35.5175.1-81.5-176.4164.6179.40112.4Y47 T48 K55 I122 E126Y47-K51 HydrophobicContact CD2-CD 4.47Å; Y47-K51 HydrophobicContact CE2-CD 4.03Å; Y47-K51 VanDerWaalsContact CE2-CE 3.49Å; Y47-K51 HydrophobicContact CE2-CG 4.45Å; Y47-K51 PolarHBondContact O-N 3.17Å; Y47-K51 PolarHBondContact OH-NZ 3.36Å; T48-K51 PolarHBondContact O-N 3.07Å; K51-K55 WeakPolarHBondContact O-CG 3.42Å; K51-K55 PolarHBondContact O-N 3.5Å; K51-I122 HydrophobicContact CB-CD1 4.48Å; K51-I122 HydrophobicContact CG-CD1 3.79Å; K51-I122 HydrophobicContact CG-CG1 4.03Å; K51-I122 HydrophobicContact CG-CG2 4.29Å; K51-E126 WeakPolarHBondContact CE-OE1 3.43Å; K51-E126 IonicContact NZ-OE1 3.56Å; K51-E126 PolarHBondContact NZ-OE1 3.38Å
52E93.4Very high90.1Very high138 Ų13859.1 Ų59.165%0.64531%0.308SS*.Hα-helixtrans-69.5-48.4172-70.4-175.7171.300112.6T48 V49 L54 K55 K56T48-E52 PolarHBondContact O-N 3.21Å; V49-E52 PolarHBondContact O-N 3.05Å; E52-L54 PolarHBondContact O-N 3.41Å; E52-K55 PolarHBondContact O-N 2.59Å; E52-K56 WeakPolarHBondContact O-CB 3.48Å; E52-K56 PolarHBondContact O-N 3.1Å
53E92.4Very high90.9Very high13 Ų1362.7 Ų62.76%0.06132%0.324CS..Hα-helixtrans-64.1-31.6179.8-164.678.2171.200111.3N41 V49 A50 K56 F57 L118N41-E53 HydrophobicContact CB-CB 4.41Å; N41-E53 HydrophobicContact CB-CG 3.9Å; N41-E53 PolarHBondContact N-OE1 2.92Å; N41-E53 WeakPolarHBondContact O-CG 3.1Å; V49-E53 VanDerWaalsContact O-CB 3.29Å; V49-E53 WeakPolarHBondContact O-CB 3.25Å; V49-E53 PolarHBondContact O-N 2.99Å; A50-E53 PolarHBondContact O-N 3.39Å; E53-K56 HydrophobicContact CG-CD 4.43Å; E53-K56 IonicContact OE1-NZ 3.74Å; E53-K56 PolarHBondContact OE1-NZ 3.48Å; E53-K56 WeakPolarHBondContact OE2-CD 3.37Å; E53-K56 WeakPolarHBondContact OE2-CE 3.38Å; E53-K56 IonicContact OE2-NZ 2.94Å; E53-K56 PolarHBondContact OE2-NZ 2.86Å; E53-F57 HydrophobicContact CG-CD2 3.95Å; E53-F57 HydrophobicContact CG-CE2 4.17Å; E53-F57 WeakPolarHBondContact O-CB 3.48Å; E53-F57 WeakPolarHBondContact O-CD2 3.5Å; E53-F57 PolarHBondContact O-N 3.16Å; E53-F57 WeakPolarHBondContact OE1-CE2 3.45Å; E53-L118 HydrophobicContact CB-CD1 4.39Å; E53-L118 HydrophobicContact CB-CD2 4.44Å; E53-L118 HydrophobicContact CG-CD1 4.21Å
54L94.1Very high91.7Very high23 Ų2359.2 Ų59.212%0.1230%0.3CS..Hα-helixtrans-61-55.8170.9176.459.3000111.1A50 E52 K56 F57 E58 L115 L118 K119 I122A50-L54 VanDerWaalsContact O-CB 3.28Å; A50-L54 WeakPolarHBondContact O-CB 3.49Å; A50-L54 PolarHBondContact O-N 2.84Å; E52-L54 PolarHBondContact O-N 3.41Å; L54-K56 VanDerWaalsContact C-N 3.25Å; L54-K56 PolarHBondContact O-N 3.3Å; L54-F57 PolarHBondContact O-N 2.88Å; L54-F57 VanDerWaalsContact O-N 3.08Å; L54-E58 HydrophobicContact CD1-CG 4.06Å; L54-E58 WeakPolarHBondContact O-CG 3.47Å; L54-E58 PolarHBondContact O-N 3.36Å; L54-L115 HydrophobicContact CD1-CD2 3.62Å; L54-L118 HydrophobicContact CB-CB 4.3Å; L54-L118 HydrophobicContact CB-CD1 4.43Å; L54-L118 HydrophobicContact CD1-CB 4.1Å; L54-K119 HydrophobicContact CD1-CD 4.41Å; L54-K119 HydrophobicContact CD1-CG 3.65Å; L54-K119 HydrophobicContact CD2-CG 4.01Å; L54-I122 HydrophobicContact CB-CD1 4.01Å; L54-I122 HydrophobicContact CD2-CD1 3.62Å; L54-I122 HydrophobicContact CG-CD1 4.42Å
55K94.8Very high92.4Very high153 Ų15361.4 Ų61.467%0.66530%0.296SS*.Hα-helixtrans-55.9-41.8179.4-70.2171.4-178.8179.60111.4K51 E52 E58 A59K51-K55 WeakPolarHBondContact O-CG 3.42Å; K51-K55 PolarHBondContact O-N 3.5Å; E52-K55 PolarHBondContact O-N 2.59Å; K55-E58 PolarHBondContact O-N 2.99Å; K55-A59 PolarHBondContact O-N 3.35Å
56K94.3Very high92.6Very high103 Ų10366.4 Ų66.445%0.44832%0.318SS..Hα-helixtrans-60-49.1173.6175.6-158.5-175-174.50112.5E52 E53 L54 A59 F60E52-K56 WeakPolarHBondContact O-CB 3.48Å; E52-K56 PolarHBondContact O-N 3.1Å; E53-K56 HydrophobicContact CG-CD 4.43Å; E53-K56 IonicContact OE1-NZ 3.74Å; E53-K56 PolarHBondContact OE1-NZ 3.48Å; E53-K56 WeakPolarHBondContact OE2-CD 3.37Å; E53-K56 WeakPolarHBondContact OE2-CE 3.38Å; E53-K56 IonicContact OE2-NZ 2.94Å; E53-K56 PolarHBondContact OE2-NZ 2.86Å; L54-K56 VanDerWaalsContact C-N 3.25Å; L54-K56 PolarHBondContact O-N 3.3Å; K56-A59 PolarHBondContact O-N 3.48Å; K56-F60 WeakPolarHBondContact O-CB 3.21Å; K56-F60 PolarHBondContact O-N 3.01Å
57F94.8Very high92.7Very high1 Ų164.4 Ų64.40%0.00431%0.309CS..Hα-helixtrans-72.1-25.9179.7-93.1-87000113.5P40 E53 L54 F60 Q61 V111 I114 L115P40-F57 HydrophobicContact CB-CE2 3.86Å; P40-F57 HydrophobicContact CB-CZ 3.79Å; E53-F57 HydrophobicContact CG-CD2 3.95Å; E53-F57 HydrophobicContact CG-CE2 4.17Å; E53-F57 WeakPolarHBondContact O-CB 3.48Å; E53-F57 WeakPolarHBondContact O-CD2 3.5Å; E53-F57 PolarHBondContact O-N 3.16Å; E53-F57 WeakPolarHBondContact OE1-CE2 3.45Å; L54-F57 PolarHBondContact O-N 2.88Å; L54-F57 VanDerWaalsContact O-N 3.08Å; F57-F60 AromaticContact CD1-CD1 3.85Å; F57-F60 HydrophobicContact CD1-CD1 3.85Å; F57-F60 AromaticContact CE1-CD1 3.82Å; F57-F60 HydrophobicContact CE1-CD1 3.82Å; F57-F60 HydrophobicContact CE1-CE1 4.15Å; F57-F60 PolarHBondContact O-N 2.7Å; F57-Q61 WeakPolarHBondContact O-CB 3.43Å; F57-Q61 PolarHBondContact O-N 2.92Å; F57-V111 HydrophobicContact CD1-CG1 4.38Å; F57-V111 HydrophobicContact CD1-CG2 4.47Å; F57-V111 HydrophobicContact CE1-CG2 4.41Å; F57-I114 HydrophobicContact CD1-CB 4.4Å; F57-I114 HydrophobicContact CD1-CD1 4.35Å; F57-I114 HydrophobicContact CD1-CG2 3.9Å; F57-I114 HydrophobicContact CD2-CG2 4Å; F57-I114 HydrophobicContact CE1-CB 4.49Å; F57-I114 HydrophobicContact CE1-CD1 3.66Å; F57-I114 HydrophobicContact CE1-CG2 4.06Å; F57-I114 HydrophobicContact CE2-CG2 4.14Å; F57-I114 HydrophobicContact CG-CG2 3.87Å; F57-I114 HydrophobicContact CZ-CD1 4Å; F57-I114 HydrophobicContact CZ-CG2 4.18Å; F57-L115 HydrophobicContact CB-CD2 3.61Å; F57-L115 HydrophobicContact CB-CG 4.1Å
58E96.1Very high92.9Very high53 Ų5364.7 Ų64.725%0.24831%0.312CS..Hα-helixtrans-73-34.8171.8-71.4-166.4142.100112.7L54 K55 R62 L115 K119L54-E58 HydrophobicContact CD1-CG 4.06Å; L54-E58 WeakPolarHBondContact O-CG 3.47Å; L54-E58 PolarHBondContact O-N 3.36Å; K55-E58 PolarHBondContact O-N 2.99Å; E58-R62 PolarHBondContact O-N 3.04Å; E58-R62 PolarHBondContact O-NH1 3.2Å; E58-L115 HydrophobicContact CG-CD2 3.68Å; E58-K119 WeakPolarHBondContact OE1-CE 3.45Å; E58-K119 IonicContact OE1-NZ 2.67Å; E58-K119 PolarHBondContact OE1-NZ 2.84Å
59A94.1Very high92.9Very high57 Ų5764.9 Ų64.947%0.47131%0.313SS..Hα-helixtrans-65.5-44168.700000110.8K55 K56 Q61 R62 Q63K55-A59 PolarHBondContact O-N 3.35Å; K56-A59 PolarHBondContact O-N 3.48Å; A59-Q61 PolarHBondContact O-N 2.79Å; A59-R62 WeakPolarHBondContact O-CB 3.38Å; A59-R62 PolarHBondContact O-N 2.86Å; A59-Q63 PolarHBondContact O-N 3Å
60F94.9Very high92.9Very high16 Ų1667 Ų677%0.0732%0.32CS..Hα-helixtrans-64.8-35.1177.1-176.4-126.9000113.1S33 T36 A37 K56 F57 R62 Q63 V64 L107 V111S33-F60 WeakPolarHBondContact O-CZ 3.48Å; T36-F60 HydrophobicContact CG2-CD1 4.43Å; T36-F60 HydrophobicContact CG2-CE1 4.21Å; T36-F60 HydrophobicContact CG2-CE2 4.36Å; T36-F60 HydrophobicContact CG2-CZ 4.17Å; A37-F60 HydrophobicContact CB-CE1 4.37Å; K56-F60 WeakPolarHBondContact O-CB 3.21Å; K56-F60 PolarHBondContact O-N 3.01Å; F57-F60 AromaticContact CD1-CD1 3.85Å; F57-F60 HydrophobicContact CD1-CD1 3.85Å; F57-F60 AromaticContact CE1-CD1 3.82Å; F57-F60 HydrophobicContact CE1-CD1 3.82Å; F57-F60 HydrophobicContact CE1-CE1 4.15Å; F57-F60 PolarHBondContact O-N 2.7Å; F60-R62 VanDerWaalsContact C-N 3.32Å; F60-R62 PolarHBondContact O-N 3.15Å; F60-Q63 WeakPolarHBondContact O-CB 3.34Å; F60-Q63 PolarHBondContact O-N 3.49Å; F60-V64 HydrophobicContact CD2-CG2 4.42Å; F60-V64 HydrophobicContact CE1-CG2 4.27Å; F60-V64 HydrophobicContact CE2-CG2 4.12Å; F60-V64 HydrophobicContact CZ-CG2 4.05Å; F60-V64 WeakPolarHBondContact O-CG2 3.32Å; F60-V64 PolarHBondContact O-N 3.3Å; F60-L107 HydrophobicContact CE1-CD1 4.34Å; F60-L107 HydrophobicContact CZ-CD1 4.28Å; F60-V111 HydrophobicContact CD1-CG2 3.81Å; F60-V111 HydrophobicContact CE1-CG2 3.54Å
61Q95.1Very high93.1Very high90 Ų9067.2 Ų67.242%0.42132%0.321SS..Hα-helixtrans-61.7-39.4173.9-171.4-174.912.300112F57 A59 V64 Q65 V111 L115F57-Q61 WeakPolarHBondContact O-CB 3.43Å; F57-Q61 PolarHBondContact O-N 2.92Å; A59-Q61 PolarHBondContact O-N 2.79Å; Q61-V64 PolarHBondContact O-N 3.44Å; Q61-Q65 WeakPolarHBondContact O-CB 3.3Å; Q61-Q65 PolarHBondContact O-N 2.99Å; Q61-V111 HydrophobicContact CB-CG1 3.99Å; Q61-V111 HydrophobicContact CG-CG1 4.24Å; Q61-L115 HydrophobicContact CB-CD1 3.93Å; Q61-L115 HydrophobicContact CG-CD1 4.18Å
62R93.8Very high93.2Very high155 Ų15569.2 Ų69.259%0.58533%0.331SS*.Hα-helixtrans-60.1-47.1173.8-67173.8176.692.5-10.5110.7E58 A59 F60 V64 Q65 E66E58-R62 PolarHBondContact O-N 3.04Å; E58-R62 PolarHBondContact O-NH1 3.2Å; A59-R62 WeakPolarHBondContact O-CB 3.38Å; A59-R62 PolarHBondContact O-N 2.86Å; F60-R62 VanDerWaalsContact C-N 3.32Å; F60-R62 PolarHBondContact O-N 3.15Å; R62-V64 PolarHBondContact O-N 2.97Å; R62-Q65 WeakPolarHBondContact O-CB 3.49Å; R62-Q65 PolarHBondContact O-N 3.3Å; R62-Q65 VanDerWaalsContact O-N 3.1Å; R62-E66 WeakPolarHBondContact O-CG 3.38Å; R62-E66 PolarHBondContact O-N 2.92Å
63Q93.4Very high93.2Very high82 Ų8266.1 Ų66.138%0.38332%0.319SS..Hα-helixtrans-59.7-42.4176-168-172.811.300113A59 F60 Q65 E66 C67A59-Q63 PolarHBondContact O-N 3Å; F60-Q63 WeakPolarHBondContact O-CB 3.34Å; F60-Q63 PolarHBondContact O-N 3.49Å; Q63-Q65 VanDerWaalsContact C-N 3.27Å; Q63-Q65 PolarHBondContact O-N 3.22Å; Q63-E66 PolarHBondContact O-N 2.93Å; Q63-C67 PolarHBondContact O-N 3.19Å; Q63-C67 VanDerWaalsContact O-N 3.1Å
64V92.6Very high93.3Very high2 Ų265.7 Ų65.71%0.01232%0.317CS..Hα-helixtrans-63.9-34.3176.5171.60000111.7W29 F60 Q61 R62 W104 L107 Q108W29-V64 HydrophobicContact CH2-CB 4.45Å; W29-V64 HydrophobicContact CH2-CG2 4.12Å; W29-V64 HydrophobicContact CZ2-CG2 4.18Å; F60-V64 HydrophobicContact CD2-CG2 4.42Å; F60-V64 HydrophobicContact CE1-CG2 4.27Å; F60-V64 HydrophobicContact CE2-CG2 4.12Å; F60-V64 HydrophobicContact CZ-CG2 4.05Å; F60-V64 WeakPolarHBondContact O-CG2 3.32Å; F60-V64 PolarHBondContact O-N 3.3Å; Q61-V64 PolarHBondContact O-N 3.44Å; R62-V64 PolarHBondContact O-N 2.97Å; V64-W104 PolarHBondContact O-NE1 3.44Å; V64-L107 HydrophobicContact CG2-CD2 4.16Å; V64-L107 HydrophobicContact CG2-CG 4.41Å; V64-Q108 HydrophobicContact CG1-CB 4.47Å; V64-Q108 HydrophobicContact CG1-CG 4.48Å
65Q91.1Very high93.4Very high97 Ų9765.3 Ų65.345%0.45332%0.315SS..Hα-helixtrans-74.8-37.5176.2-165.666.821.400112.4Q61 R62 Q63 L68Q61-Q65 WeakPolarHBondContact O-CB 3.3Å; Q61-Q65 PolarHBondContact O-N 2.99Å; R62-Q65 WeakPolarHBondContact O-CB 3.49Å; R62-Q65 PolarHBondContact O-N 3.3Å; R62-Q65 VanDerWaalsContact O-N 3.1Å; Q63-Q65 VanDerWaalsContact C-N 3.27Å; Q63-Q65 PolarHBondContact O-N 3.22Å; Q65-L68 WeakPolarHBondContact O-CB 3.41Å; Q65-L68 PolarHBondContact O-N 3.33Å
66E90.9Very high93.3Very high127 Ų12764.9 Ų64.959%0.59331%0.313SS*.Hα-helixtrans-61.5-43.4174.1-73.1163.1-15900111.6R62 Q63 L68 T69R62-E66 WeakPolarHBondContact O-CG 3.38Å; R62-E66 PolarHBondContact O-N 2.92Å; Q63-E66 PolarHBondContact O-N 2.93Å; E66-L68 PolarHBondContact O-N 3.21Å; E66-T69 PolarHBondContact O-N 3.38Å; E66-T69 PolarHBondContact O-OG1 3.44Å
67C91.4Very high93.2Very high9 Ų961.8 Ų61.86%0.06130%0.3CS..THydrogen-bonded Turntrans-67.7-10.1177.3-80.30000114.8W29 Q63 T69 Q70 L71W29-C67 HydrophobicContact CD2-CB 4.31Å; W29-C67 HydrophobicContact CE3-CB 4.16Å; W29-C67 HydrophobicContact CH2-CB 3.61Å; W29-C67 HydrophobicContact CZ2-CB 3.75Å; W29-C67 HydrophobicContact CZ3-CB 3.82Å; Q63-C67 PolarHBondContact O-N 3.19Å; Q63-C67 VanDerWaalsContact O-N 3.1Å; C67-T69 PolarHBondContact O-N 2.95Å; C67-Q70 WeakPolarHBondContact O-CB 3.27Å; C67-Q70 PolarHBondContact O-N 3.3Å; C67-Q70 VanDerWaalsContact O-N 3.17Å; C67-L71 PolarHBondContact O-N 3Å
68L92.3Very high93.2Very high40 Ų4063.5 Ų63.521%0.20931%0.307CS..Hα-helixtrans-56-39.8168.617756.8000111.1Q65 E66 Q70 L71 E72 W104Q65-L68 WeakPolarHBondContact O-CB 3.41Å; Q65-L68 PolarHBondContact O-N 3.33Å; E66-L68 PolarHBondContact O-N 3.21Å; L68-Q70 PolarHBondContact O-N 2.97Å; L68-L71 PolarHBondContact O-N 3Å; L68-L71 VanDerWaalsContact O-N 3.14Å; L68-E72 HydrophobicContact CD1-CG 4.07Å; L68-E72 HydrophobicContact CG-CG 4.27Å; L68-E72 WeakPolarHBondContact O-CG 3.06Å; L68-E72 PolarHBondContact O-N 3.48Å; L68-W104 HydrophobicContact CB-CZ2 4.1Å; L68-W104 HydrophobicContact CD1-CH2 3.88Å; L68-W104 HydrophobicContact CD1-CZ2 3.81Å; L68-W104 HydrophobicContact CD1-CZ3 4.47Å; L68-W104 HydrophobicContact CD2-CZ2 4.5Å; L68-W104 HydrophobicContact CG-CZ2 4.35Å
69T89.5Confident93.1Very high92 Ų9267.1 Ų67.156%0.56432%0.319SS*.Hα-helixtrans-60.3-32.9179.462.60000113E66 C67 L73E66-T69 PolarHBondContact O-N 3.38Å; E66-T69 PolarHBondContact O-OG1 3.44Å; C67-T69 PolarHBondContact O-N 2.95Å; T69-L73 WeakPolarHBondContact O-CB 3.47Å; T69-L73 PolarHBondContact O-N 3.32Å
70Q91.6Very high93Very high90 Ų9068.9 Ų68.942%0.42131%0.313SS..Hα-helixtrans-73.9-43.6176.9-59.9175.7-0.900110.6F26 C67 L68 L73 I74F26-Q70 HydrophobicContact CD2-CB 4.48Å; C67-Q70 WeakPolarHBondContact O-CB 3.27Å; C67-Q70 PolarHBondContact O-N 3.3Å; C67-Q70 VanDerWaalsContact O-N 3.17Å; L68-Q70 PolarHBondContact O-N 2.97Å; Q70-L73 WeakPolarHBondContact O-CB 3.37Å; Q70-L73 PolarHBondContact O-N 3.43Å; Q70-I74 WeakPolarHBondContact O-CD1 3.49Å; Q70-I74 VanDerWaalsContact O-CG1 3.31Å; Q70-I74 WeakPolarHBondContact O-CG1 3.33Å; Q70-I74 PolarHBondContact O-N 2.88Å
71L93.6Very high92.8Very high5 Ų568.3 Ų68.33%0.02631%0.311CS..Hα-helixtrans-62.9-40.8174.5-179.557000111.8F26 C67 L68 I74 N75 N101 W104F26-L71 HydrophobicContact CE1-CD1 3.91Å; F26-L71 HydrophobicContact CE2-CB 3.92Å; F26-L71 HydrophobicContact CZ-CB 4.01Å; F26-L71 HydrophobicContact CZ-CD1 3.8Å; F26-L71 HydrophobicContact CZ-CD2 4.16Å; F26-L71 HydrophobicContact CZ-CG 4.2Å; C67-L71 PolarHBondContact O-N 3Å; L68-L71 PolarHBondContact O-N 3Å; L68-L71 VanDerWaalsContact O-N 3.14Å; L71-I74 PolarHBondContact O-N 3.45Å; L71-N75 VanDerWaalsContact O-CB 3.32Å; L71-N75 WeakPolarHBondContact O-CB 3.46Å; L71-N75 PolarHBondContact O-N 3.11Å; L71-N75 PolarHBondContact O-ND2 3.47Å; L71-N101 WeakPolarHBondContact CD1-OD1 3.48Å; L71-W104 HydrophobicContact CD2-CB 3.68Å; L71-W104 HydrophobicContact CD2-CD2 3.64Å; L71-W104 HydrophobicContact CD2-CE3 3.95Å; L71-W104 HydrophobicContact CD2-CG 3.5Å
72E93.8Very high92.5Very high107 Ų10765.6 Ų65.650%0.530%0.304SS..Hα-helixtrans-63.5-39.8173.8-74.4-171.7153.600112.5L68 N75 K76L68-E72 HydrophobicContact CD1-CG 4.07Å; L68-E72 HydrophobicContact CG-CG 4.27Å; L68-E72 WeakPolarHBondContact O-CG 3.06Å; L68-E72 PolarHBondContact O-N 3.48Å; E72-N75 PolarHBondContact O-N 3.37Å; E72-K76 VanDerWaalsContact O-CB 3.29Å; E72-K76 WeakPolarHBondContact O-CB 3.32Å; E72-K76 PolarHBondContact O-N 3.3Å
73L93.6Very high92.3Very high73 Ų7368 Ų6838%0.38231%0.313SS..Hα-helixtrans-62.8-48.1174.617961.9000111.3T69 Q70 N75 K76 Q77T69-L73 WeakPolarHBondContact O-CB 3.47Å; T69-L73 PolarHBondContact O-N 3.32Å; Q70-L73 WeakPolarHBondContact O-CB 3.37Å; Q70-L73 PolarHBondContact O-N 3.43Å; L73-N75 PolarHBondContact O-N 2.94Å; L73-K76 WeakPolarHBondContact O-CA 3.38Å; L73-K76 WeakPolarHBondContact O-CB 3.28Å; L73-K76 PolarHBondContact O-N 3.32Å; L73-K76 VanDerWaalsContact O-N 3.09Å; L73-Q77 WeakPolarHBondContact O-CG 3.47Å; L73-Q77 PolarHBondContact O-N 3.45Å
74I94.1Very high92Very high4 Ų467.5 Ų67.52%0.02131%0.31CS..Hα-helixtrans-58-48.9176.1-71.6162.6000110.4F19 D22 Y23 F26 Q70 L71 K76 Q77 Y78F19-I74 HydrophobicContact CD2-CG2 4.41Å; F19-I74 HydrophobicContact CE2-CG2 3.67Å; F19-I74 HydrophobicContact CZ-CG2 4.29Å; D22-I74 HydrophobicContact CB-CG1 4.25Å; Y23-I74 HydrophobicContact CD2-CG2 3.92Å; F26-I74 HydrophobicContact CB-CD1 3.47Å; F26-I74 VanDerWaalsContact CB-CD1 3.47Å; F26-I74 HydrophobicContact CD1-CD1 4.06Å; F26-I74 HydrophobicContact CD2-CD1 4.41Å; F26-I74 HydrophobicContact CG-CD1 3.72Å; Q70-I74 WeakPolarHBondContact O-CD1 3.49Å; Q70-I74 VanDerWaalsContact O-CG1 3.31Å; Q70-I74 WeakPolarHBondContact O-CG1 3.33Å; Q70-I74 PolarHBondContact O-N 2.88Å; L71-I74 PolarHBondContact O-N 3.45Å; I74-K76 VanDerWaalsContact C-N 3.29Å; I74-K76 PolarHBondContact O-N 2.94Å; I74-Q77 PolarHBondContact O-N 3.43Å; I74-Y78 PolarHBondContact O-N 2.88Å
75N95.1Very high91.6Very high16 Ų1674.5 Ų74.59%0.08635%0.348CS..Hα-helixtrans-56.7-40.7173.4-84.7-62.3000112.1L71 E72 L73 Y78 R79 V97 N101L71-N75 VanDerWaalsContact O-CB 3.32Å; L71-N75 WeakPolarHBondContact O-CB 3.46Å; L71-N75 PolarHBondContact O-N 3.11Å; L71-N75 PolarHBondContact O-ND2 3.47Å; E72-N75 PolarHBondContact O-N 3.37Å; L73-N75 PolarHBondContact O-N 2.94Å; N75-Y78 PolarHBondContact O-N 3.36Å; N75-R79 WeakPolarHBondContact O-CB 3.48Å; N75-R79 WeakPolarHBondContact O-CG 3.4Å; N75-R79 PolarHBondContact O-N 3.05Å; N75-V97 VanDerWaalsContact OD1-CG1 3.25Å; N75-V97 WeakPolarHBondContact OD1-CG1 3.33Å; N75-N101 PolarHBondContact ND2-OD1 2.91Å; N75-N101 PolarHBondContact OD1-ND2 3.47Å
76K93.7Very high91.3Very high143 Ų14371.7 Ų71.762%0.62233%0.333SS*.Hα-helixtrans-67.1-39.9177.9-173.5174.9-179.3174.80112.3E72 L73 I74 R80E72-K76 VanDerWaalsContact O-CB 3.29Å; E72-K76 WeakPolarHBondContact O-CB 3.32Å; E72-K76 PolarHBondContact O-N 3.3Å; L73-K76 WeakPolarHBondContact O-CA 3.38Å; L73-K76 WeakPolarHBondContact O-CB 3.28Å; L73-K76 PolarHBondContact O-N 3.32Å; L73-K76 VanDerWaalsContact O-N 3.09Å; I74-K76 VanDerWaalsContact C-N 3.29Å; I74-K76 PolarHBondContact O-N 2.94Å; K76-R80 PolarHBondContact O-N 2.95Å
77Q92.7Very high91Very high38 Ų3868.2 Ų68.218%0.17832%0.32CS..Hα-helixtrans-63.7-45.1173.5-58.2-50.5-19.900111.3F19 L73 I74 R80 L81F19-Q77 HydrophobicContact CD2-CB 4.14Å; L73-Q77 WeakPolarHBondContact O-CG 3.47Å; L73-Q77 PolarHBondContact O-N 3.45Å; I74-Q77 PolarHBondContact O-N 3.43Å; Q77-R80 WeakPolarHBondContact O-CB 3.42Å; Q77-R80 PolarHBondContact O-N 3.03Å; Q77-L81 PolarHBondContact O-N 3.19Å
78Y94.1Very high90.7Very high38 Ų3868.4 Ų68.415%0.14932%0.321CS..Hα-helixtrans-63.3-45.6176.8170.1-99000112.6I74 N75 R80 L81 A82 T87 L93 R94 V97I74-Y78 PolarHBondContact O-N 2.88Å; N75-Y78 PolarHBondContact O-N 3.36Å; Y78-R80 PolarHBondContact O-N 2.61Å; Y78-L81 PolarHBondContact O-N 2.72Å; Y78-L81 VanDerWaalsContact O-N 3.15Å; Y78-A82 WeakPolarHBondContact O-CB 3.25Å; Y78-A82 PolarHBondContact O-N 3.43Å; Y78-T87 HydrophobicContact CE2-CG2 4.11Å; Y78-L93 HydrophobicContact CD2-CB 4.28Å; Y78-L93 HydrophobicContact CE2-CB 4.33Å; Y78-R94 HydrophobicContact CE2-CB 4Å; Y78-R94 VanDerWaalsContact OH-CB 3.31Å; Y78-R94 WeakPolarHBondContact OH-CB 3.34Å; Y78-R94 WeakPolarHBondContact OH-CG 3.29Å; Y78-V97 HydrophobicContact CD1-CB 4.44Å; Y78-V97 HydrophobicContact CD1-CG1 4.15Å; Y78-V97 HydrophobicContact CD1-CG2 4.27Å; Y78-V97 HydrophobicContact CD2-CG2 4.06Å; Y78-V97 HydrophobicContact CG-CB 4.34Å; Y78-V97 HydrophobicContact CG-CG1 4.42Å; Y78-V97 HydrophobicContact CG-CG2 3.73Å
79R93.1Very high89.9Confident128 Ų12872.5 Ų72.548%0.48335%0.353SS..Hα-helixtrans-57.4-34.8174.4-71.6167.5-162.9150.81.6111.9N75 R83N75-R79 WeakPolarHBondContact O-CB 3.48Å; N75-R79 WeakPolarHBondContact O-CG 3.4Å; N75-R79 PolarHBondContact O-N 3.05Å; R79-R83 WeakPolarHBondContact O-CB 3.5Å; R79-R83 WeakPolarHBondContact O-CD 3.19Å; R79-R83 VanDerWaalsContact O-CG 3.22Å; R79-R83 WeakPolarHBondContact O-CG 3.45Å; R79-R83 PolarHBondContact O-N 3.45Å; R79-R83 VanDerWaalsContact O-N 3.14Å
80R91.9Very high89.6Confident94 Ų9472 Ų7236%0.35535%0.353SS..Hα-helixtrans-66.5-52.3173.6-177.1-179.9177.3-151.1-18.8111.3E11 K76 Q77 Y78 A82 R83 E84E11-R80 IonicContact OE1-NH2 2.75Å; E11-R80 PolarHBondContact OE1-NH2 3.37Å; K76-R80 PolarHBondContact O-N 2.95Å; Q77-R80 WeakPolarHBondContact O-CB 3.42Å; Q77-R80 PolarHBondContact O-N 3.03Å; Y78-R80 PolarHBondContact O-N 2.61Å; R80-A82 VanDerWaalsContact C-N 3.28Å; R80-A82 PolarHBondContact O-N 3.36Å; R80-R83 PolarHBondContact O-N 2.96Å; R80-E84 HydrophobicContact CG-CG 4.48Å; R80-E84 WeakPolarHBondContact CG-OE1 3.47Å; R80-E84 IonicContact CZ-OE1 2.59Å; R80-E84 VanDerWaalsContact CZ-OE1 3.28Å; R80-E84 IonicContact NE-OE1 2.82Å; R80-E84 PolarHBondContact NE-OE1 3.35Å; R80-E84 IonicContact NE-OE2 3.3Å; R80-E84 IonicContact NH2-OE1 3.63Å; R80-E84 PolarHBondContact NH2-OE1 2.99Å; R80-E84 IonicContact NH2-OE2 2.7Å; R80-E84 WeakPolarHBondContact O-CG 3.44Å; R80-E84 PolarHBondContact O-N 2.97Å
81L90.6Very high89.3Confident4 Ų473.2 Ų73.22%0.02136%0.359CS..Hα-helixtrans-57-40.6178.1-73.5171.6000112.4L15 F19 Q77 Y78 N85 R86 T87 L93L15-L81 HydrophobicContact CB-CD2 3.82Å; L15-L81 HydrophobicContact CD1-CD2 4.27Å; F19-L81 HydrophobicContact CB-CD1 4.44Å; Q77-L81 PolarHBondContact O-N 3.19Å; Y78-L81 PolarHBondContact O-N 2.72Å; Y78-L81 VanDerWaalsContact O-N 3.15Å; L81-N85 PolarHBondContact O-N 3.41Å; L81-R86 HydrophobicContact CD2-CB 3.86Å; L81-R86 WeakPolarHBondContact O-CA 3.37Å; L81-R86 PolarHBondContact O-N 2.9Å; L81-T87 HydrophobicContact CB-CG2 4.29Å; L81-L93 HydrophobicContact CD1-CD1 4.47Å
82A89.1Confident89.1Confident33 Ų3380.9 Ų80.927%0.27339%0.387SS..Hα-helixtrans-64.8-48.5176.600000112.3Y78 R80 E84 N85 T87Y78-A82 WeakPolarHBondContact O-CB 3.25Å; Y78-A82 PolarHBondContact O-N 3.43Å; R80-A82 VanDerWaalsContact C-N 3.28Å; R80-A82 PolarHBondContact O-N 3.36Å; A82-E84 VanDerWaalsContact C-N 3.29Å; A82-E84 PolarHBondContact O-N 2.9Å; A82-N85 PolarHBondContact O-N 3.38Å; A82-N85 VanDerWaalsContact O-N 3.08Å; A82-T87 HydrophobicContact CB-CG2 4.14Å
83R89.8Confident88.9Confident207 Ų20776.2 Ų76.278%0.78137%0.365SS*.Hα-helixtrans-62-34.3178.2-73.9169.5-179.4-177.4-1.6113.3R79 R80 N85R79-R83 WeakPolarHBondContact O-CB 3.5Å; R79-R83 WeakPolarHBondContact O-CD 3.19Å; R79-R83 VanDerWaalsContact O-CG 3.22Å; R79-R83 WeakPolarHBondContact O-CG 3.45Å; R79-R83 PolarHBondContact O-N 3.45Å; R79-R83 VanDerWaalsContact O-N 3.14Å; R80-R83 PolarHBondContact O-N 2.96Å; R83-N85 PolarHBondContact O-N 3.01Å
84E87.6Confident88.8Confident70 Ų7079.2 Ų79.233%0.32737%0.372SS..THydrogen-bonded Turntrans-81.63.1178.4-66.2176.3-178.600112.9R80 A82 R86R80-E84 HydrophobicContact CG-CG 4.48Å; R80-E84 WeakPolarHBondContact CG-OE1 3.47Å; R80-E84 IonicContact CZ-OE1 2.59Å; R80-E84 VanDerWaalsContact CZ-OE1 3.28Å; R80-E84 IonicContact NE-OE1 2.82Å; R80-E84 PolarHBondContact NE-OE1 3.35Å; R80-E84 IonicContact NE-OE2 3.3Å; R80-E84 IonicContact NH2-OE1 3.63Å; R80-E84 PolarHBondContact NH2-OE1 2.99Å; R80-E84 IonicContact NH2-OE2 2.7Å; R80-E84 WeakPolarHBondContact O-CG 3.44Å; R80-E84 PolarHBondContact O-N 2.97Å; A82-E84 VanDerWaalsContact C-N 3.29Å; A82-E84 PolarHBondContact O-N 2.9Å; E84-R86 HydrophobicContact CB-CB 4.25Å; E84-R86 HydrophobicContact CB-CG 3.96Å; E84-R86 PolarHBondContact O-N 3.02Å; E84-R86 VanDerWaalsContact OE2-CD 3.28Å; E84-R86 WeakPolarHBondContact OE2-CD 3.08Å; E84-R86 IonicContact OE2-CZ 3.99Å; E84-R86 IonicContact OE2-NE 2.63Å; E84-R86 IonicContact OE2-NH1 3.54Å; E84-R86 PolarHBondContact OE2-NH1 2.97Å
85N84.1Confident88.7Confident149 Ų14985.2 Ų85.280%0.79740%0.4SS*.THydrogen-bonded Turntrans51.537.5-171.1-70.6-52.6000112.9L81 A82 R83L81-N85 PolarHBondContact O-N 3.41Å; A82-N85 PolarHBondContact O-N 3.38Å; A82-N85 VanDerWaalsContact O-N 3.08Å; R83-N85 PolarHBondContact O-N 3.01Å
86R85.3Confident88.7Confident39 Ų3986.2 Ų86.215%0.14740%0.404CS..  trans-106.818-177.6-78.2176.4172.3177.5-15.4112.8E11 T12 W16 L81 E84E11-R86 VanDerWaalsContact CD-NH2 3.35Å; E11-R86 IonicContact OE1-CZ 2.79Å; E11-R86 IonicContact OE1-NH1 3.5Å; E11-R86 PolarHBondContact OE1-NH1 3.1Å; E11-R86 IonicContact OE1-NH2 2.73Å; E11-R86 IonicContact OE2-CZ 2.8Å; E11-R86 IonicContact OE2-NH1 3.57Å; E11-R86 PolarHBondContact OE2-NH1 3.29Å; E11-R86 IonicContact OE2-NH2 2.65Å; E11-R86 PolarHBondContact OE2-NH2 2.99Å; T12-R86 HydrophobicContact CG2-CB 3.96Å; T12-R86 HydrophobicContact CG2-CG 4.08Å; T12-R86 WeakPolarHBondContact OG1-CD 3.48Å; T12-R86 PolarHBondContact OG1-NE 3.23Å; W16-R86 PolarHBondContact NE1-O 2.88Å; L81-R86 HydrophobicContact CD2-CB 3.86Å; L81-R86 WeakPolarHBondContact O-CA 3.37Å; L81-R86 PolarHBondContact O-N 2.9Å; E84-R86 HydrophobicContact CB-CB 4.25Å; E84-R86 HydrophobicContact CB-CG 3.96Å; E84-R86 PolarHBondContact O-N 3.02Å; E84-R86 VanDerWaalsContact OE2-CD 3.28Å; E84-R86 WeakPolarHBondContact OE2-CD 3.08Å; E84-R86 IonicContact OE2-CZ 3.99Å; E84-R86 IonicContact OE2-NE 2.63Å; E84-R86 IonicContact OE2-NH1 3.54Å; E84-R86 PolarHBondContact OE2-NH1 2.97Å
87T84.9Confident88.7Confident53 Ų5379.6 Ų79.633%0.32538%0.376SS..SBendtrans-80.7166.7175.444.30000112.7Y78 L81 A82Y78-T87 HydrophobicContact CE2-CG2 4.11Å; L81-T87 HydrophobicContact CB-CG2 4.29Å; A82-T87 HydrophobicContact CB-CG2 4.14Å
88D83.9Confident88.8Confident14 Ų1482.7 Ų82.78%0.07539%0.39CS..  trans-78147.3176.174.2-71.1000112.3W16 S90 H91 R92 L93W16-D88 HydrophobicContact CH2-CB 3.45Å; W16-D88 VanDerWaalsContact CH2-CB 3.45Å; W16-D88 HydrophobicContact CZ2-CB 3.89Å; W16-D88 HydrophobicContact CZ3-CB 4.21Å; D88-S90 PolarHBondContact O-N 3.25Å; D88-S90 WeakPolarHBondContact OD2-CA 3.47Å; D88-S90 WeakPolarHBondContact OD2-CB 3.2Å; D88-S90 PolarHBondContact OD2-N 3.22Å; D88-S90 PolarHBondContact OD2-OG 3.2Å; D88-H91 PolarHBondContact O-N 3.14Å; D88-H91 PolarHBondContact OD2-N 3.45Å; D88-R92 PolarHBondContact OD1-N 3.41Å; D88-R92 WeakPolarHBondContact OD2-CB 3.17Å; D88-R92 PolarHBondContact OD2-N 3.49Å; D88-L93 HydrophobicContact CB-CD1 4.35Å; D88-L93 HydrophobicContact CB-CG 4.49Å; D88-L93 VanDerWaalsContact OD1-CB 3.32Å; D88-L93 WeakPolarHBondContact OD1-CB 3.27Å; D88-L93 VanDerWaalsContact OD1-CG 3.29Å; D88-L93 WeakPolarHBondContact OD1-CG 3.4Å; D88-L93 PolarHBondContact OD1-N 3.02Å
89S76.9Confident88.9Confident125 Ų12583 Ų8387%0.87440%0.395SS*.THydrogen-bonded Turntrans-73.9-7.9178.357.30000114
90S81.8Confident89Confident83 Ų8377 Ų7758%0.5837%0.372SS*.THydrogen-bonded Turntrans-94.81.4174.837.60000113.3D88 R92D88-S90 PolarHBondContact O-N 3.25Å; D88-S90 WeakPolarHBondContact OD2-CA 3.47Å; D88-S90 WeakPolarHBondContact OD2-CB 3.2Å; D88-S90 PolarHBondContact OD2-N 3.22Å; D88-S90 PolarHBondContact OD2-OG 3.2Å; S90-R92 PolarHBondContact O-N 3.13Å
91H86.1Confident89.2Confident115 Ų11574.4 Ų74.453%0.53237%0.365SS..  trans55.412.1-174.6-55.1-49.8000116.1D88 L93 R94 E95D88-H91 PolarHBondContact O-N 3.14Å; D88-H91 PolarHBondContact OD2-N 3.45Å; H91-L93 VanDerWaalsContact C-N 3.31Å; H91-L93 PolarHBondContact O-N 3.19Å; H91-R94 WeakPolarHBondContact O-CA 3.39Å; H91-R94 VanDerWaalsContact O-CB 3.26Å; H91-R94 WeakPolarHBondContact O-CB 3.49Å; H91-R94 PolarHBondContact O-N 2.67Å; H91-E95 PolarHBondContact O-N 3.02Å
92R89.4Confident89.5Confident166 Ų16681.5 Ų81.563%0.62639%0.392SS*.Hα-helixtrans-60.3-37.6-176.1-177.2179.5173.9-176.5-0112.5D88 S90 R94 E95 M96D88-R92 PolarHBondContact OD1-N 3.41Å; D88-R92 WeakPolarHBondContact OD2-CB 3.17Å; D88-R92 PolarHBondContact OD2-N 3.49Å; S90-R92 PolarHBondContact O-N 3.13Å; R92-R94 VanDerWaalsContact C-N 3.27Å; R92-R94 PolarHBondContact O-N 2.98Å; R92-E95 PolarHBondContact O-N 2.95Å; R92-M96 HydrophobicContact CG-SD 4.18Å; R92-M96 VanDerWaalsContact O-CG 3.3Å; R92-M96 WeakPolarHBondContact O-CG 3.35Å; R92-M96 PolarHBondContact O-N 2.88Å
93L89.9Confident89.9Confident8 Ų881.9 Ų81.94%0.04239%0.386CS..Hα-helixtrans-64.9-33.7175.6-65173.3000111.6W16 F19 L20 Y78 L81 D88 H91 V97W16-L93 HydrophobicContact CD2-CD1 4.12Å; W16-L93 HydrophobicContact CG-CD1 4.49Å; W16-L93 HydrophobicContact CZ2-CD1 4.13Å; F19-L93 HydrophobicContact CD1-CD2 3.61Å; F19-L93 HydrophobicContact CE1-CD2 3.55Å; L20-L93 HydrophobicContact CD2-CD2 4.24Å; Y78-L93 HydrophobicContact CD2-CB 4.28Å; Y78-L93 HydrophobicContact CE2-CB 4.33Å; L81-L93 HydrophobicContact CD1-CD1 4.47Å; D88-L93 HydrophobicContact CB-CD1 4.35Å; D88-L93 HydrophobicContact CB-CG 4.49Å; D88-L93 VanDerWaalsContact OD1-CB 3.32Å; D88-L93 WeakPolarHBondContact OD1-CB 3.27Å; D88-L93 VanDerWaalsContact OD1-CG 3.29Å; D88-L93 WeakPolarHBondContact OD1-CG 3.4Å; D88-L93 PolarHBondContact OD1-N 3.02Å; H91-L93 VanDerWaalsContact C-N 3.31Å; H91-L93 PolarHBondContact O-N 3.19Å; L93-V97 WeakPolarHBondContact O-CG2 3.39Å; L93-V97 PolarHBondContact O-N 3.26Å
94R90.5Very high90.2Very high136 Ų13673 Ų7351%0.51335%0.352SS..Hα-helixtrans-70-44.3175.5177.3175.9172.9173.71.7111Y78 H91 R92 V97 H98Y78-R94 HydrophobicContact CE2-CB 4Å; Y78-R94 VanDerWaalsContact OH-CB 3.31Å; Y78-R94 WeakPolarHBondContact OH-CB 3.34Å; Y78-R94 WeakPolarHBondContact OH-CG 3.29Å; H91-R94 WeakPolarHBondContact O-CA 3.39Å; H91-R94 VanDerWaalsContact O-CB 3.26Å; H91-R94 WeakPolarHBondContact O-CB 3.49Å; H91-R94 PolarHBondContact O-N 2.67Å; R92-R94 VanDerWaalsContact C-N 3.27Å; R92-R94 PolarHBondContact O-N 2.98Å; R94-V97 PolarHBondContact O-N 2.99Å; R94-H98 PolarHBondContact O-CD2 2.91Å; R94-H98 PolarHBondContact O-N 3.03Å
95E93.3Very high90.6Very high131 Ų13172.6 Ų72.661%0.61235%0.353SS*.Hα-helixtrans-62.8-46.9178-67.3-177149.700112.2H91 R92 V97 H98 D99H91-E95 PolarHBondContact O-N 3.02Å; R92-E95 PolarHBondContact O-N 2.95Å; E95-V97 VanDerWaalsContact C-N 3.34Å; E95-V97 PolarHBondContact O-N 3Å; E95-H98 PolarHBondContact O-N 3.13Å; E95-D99 PolarHBondContact O-N 2.71Å
96M94.4Very high91.2Very high36 Ų3669.9 Ų69.918%0.17734%0.338CS..Hα-helixtrans-56.1-47.2176.4-72.4173.865.500111.5L20 Y23 R92 H98 D99 G100L20-M96 HydrophobicContact CD2-CE 3.87Å; L20-M96 HydrophobicContact CD2-SD 4.27Å; Y23-M96 HydrophobicContact CD1-CE 3.35Å; Y23-M96 HydrophobicContact CE1-CB 4.36Å; Y23-M96 HydrophobicContact CE1-CE 3.53Å; Y23-M96 HydrophobicContact CE2-CB 4.04Å; Y23-M96 VanDerWaalsContact CE2-O 3.27Å; Y23-M96 WeakPolarHBondContact CE2-O 3.44Å; Y23-M96 HydrophobicContact CG-CE 3.93Å; Y23-M96 PolarHBondContact OH-O 3.34Å; R92-M96 HydrophobicContact CG-SD 4.18Å; R92-M96 VanDerWaalsContact O-CG 3.3Å; R92-M96 WeakPolarHBondContact O-CG 3.35Å; R92-M96 PolarHBondContact O-N 2.88Å; M96-H98 PolarHBondContact O-N 3.19Å; M96-D99 PolarHBondContact O-N 3.36Å; M96-G100 PolarHBondContact O-N 2.93Å
97V93.8Very high91.7Very high5 Ų568.2 Ų68.23%0.0333%0.332CS..Hα-helixtrans-63.2-42.8177.7172.50000111.9F19 N75 Y78 L93 R94 E95 N101F19-V97 HydrophobicContact CE2-CG2 3.68Å; F19-V97 HydrophobicContact CZ-CG2 3.55Å; N75-V97 VanDerWaalsContact OD1-CG1 3.25Å; N75-V97 WeakPolarHBondContact OD1-CG1 3.33Å; Y78-V97 HydrophobicContact CD1-CB 4.44Å; Y78-V97 HydrophobicContact CD1-CG1 4.15Å; Y78-V97 HydrophobicContact CD1-CG2 4.27Å; Y78-V97 HydrophobicContact CD2-CG2 4.06Å; Y78-V97 HydrophobicContact CG-CB 4.34Å; Y78-V97 HydrophobicContact CG-CG1 4.42Å; Y78-V97 HydrophobicContact CG-CG2 3.73Å; L93-V97 WeakPolarHBondContact O-CG2 3.39Å; L93-V97 PolarHBondContact O-N 3.26Å; R94-V97 PolarHBondContact O-N 2.99Å; E95-V97 VanDerWaalsContact C-N 3.34Å; E95-V97 PolarHBondContact O-N 3Å; V97-N101 WeakPolarHBondContact CG1-ND2 3.25Å; V97-N101 WeakPolarHBondContact O-CB 3.42Å; V97-N101 PolarHBondContact O-N 3.45Å; V97-N101 PolarHBondContact O-ND2 2.89Å
98H94.1Very high92.1Very high103 Ų10368.9 Ų68.948%0.47733%0.331SS..Hα-helixtrans-67.5-39.7178.7-74.1-52.1000112.8R94 E95 M96 R102R94-H98 PolarHBondContact O-CD2 2.91Å; R94-H98 PolarHBondContact O-N 3.03Å; E95-H98 PolarHBondContact O-N 3.13Å; M96-H98 PolarHBondContact O-N 3.19Å; H98-R102 WeakPolarHBondContact O-CB 3.41Å; H98-R102 PolarHBondContact O-N 2.92Å
99D96Very high92.6Very high45 Ų4573.6 Ų73.624%0.24135%0.351CS..Hα-helixtrans-66.7-45.2175.6-173.659.1000112.1E95 M96 N101 R102 R103E95-D99 PolarHBondContact O-N 2.71Å; M96-D99 PolarHBondContact O-N 3.36Å; D99-N101 PolarHBondContact O-N 2.76Å; D99-R102 PolarHBondContact O-N 2.83Å; D99-R102 IonicContact OD1-CZ 3.07Å; D99-R102 IonicContact OD1-NE 3.93Å; D99-R102 PolarHBondContact OD1-NE 2.97Å; D99-R102 IonicContact OD1-NH2 3.14Å; D99-R102 PolarHBondContact OD1-NH2 3.01Å; D99-R103 WeakPolarHBondContact O-CB 3.18Å; D99-R103 WeakPolarHBondContact O-CG 3.32Å; D99-R103 PolarHBondContact O-N 2.69Å; D99-R103 WeakPolarHBondContact OD2-CD 3.4Å; D99-R103 IonicContact OD2-NE 3.71Å; D99-R103 IonicContact OD2-NH1 2.83Å; D99-R103 PolarHBondContact OD2-NH1 2.86Å
100G95.1Very high93.5Very high0 Ų073.7 Ų73.70%033%0.333CS..Hα-helixtrans-58.6-45.2176.900000112.9M96 W104M96-G100 PolarHBondContact O-N 2.93Å; G100-W104 WeakPolarHBondContact O-CB 3.35Å; G100-W104 PolarHBondContact O-N 2.86Å
101N96.1Very high94.2Very high40 Ų4069.9 Ų69.921%0.21431%0.306CS..Hα-helixtrans-61.9-50.7172.7-76-67.2000111.3L71 N75 V97 D99 R103 W104 D105L71-N101 WeakPolarHBondContact CD1-OD1 3.48Å; N75-N101 PolarHBondContact ND2-OD1 2.91Å; N75-N101 PolarHBondContact OD1-ND2 3.47Å; V97-N101 WeakPolarHBondContact CG1-ND2 3.25Å; V97-N101 WeakPolarHBondContact O-CB 3.42Å; V97-N101 PolarHBondContact O-N 3.45Å; V97-N101 PolarHBondContact O-ND2 2.89Å; D99-N101 PolarHBondContact O-N 2.76Å; N101-R103 VanDerWaalsContact C-N 3.3Å; N101-R103 PolarHBondContact O-N 3.39Å; N101-W104 PolarHBondContact O-N 3.35Å; N101-D105 WeakPolarHBondContact O-CB 3.23Å; N101-D105 PolarHBondContact O-N 3.34Å
102R97.1Very high94.5Very high154 Ų15466 Ų6658%0.58129%0.293SS*.Hα-helixtrans-57.8-39.5-179.1179.9-177.869.1154.5-0.3112.8H98 D99 D105 N106H98-R102 WeakPolarHBondContact O-CB 3.41Å; H98-R102 PolarHBondContact O-N 2.92Å; D99-R102 PolarHBondContact O-N 2.83Å; D99-R102 IonicContact OD1-CZ 3.07Å; D99-R102 IonicContact OD1-NE 3.93Å; D99-R102 PolarHBondContact OD1-NE 2.97Å; D99-R102 IonicContact OD1-NH2 3.14Å; D99-R102 PolarHBondContact OD1-NH2 3.01Å; R102-D105 WeakPolarHBondContact O-CB 3.45Å; R102-N106 WeakPolarHBondContact O-CB 3.47Å; R102-N106 PolarHBondContact O-N 3.16Å; R102-N106 VanDerWaalsContact O-N 3.07Å; R102-N106 PolarHBondContact O-ND2 3.15Å
103R97.3Very high94.7Very high41 Ų4160.2 Ų60.216%0.15528%0.281CS..Hα-helixtrans-74-40178.9-78.3169.562.2-158.1-5.4112.4L30 E34 D99 N101 N106 L107L30-R103 HydrophobicContact CD2-CB 3.7Å; L30-R103 HydrophobicContact CG-CB 4.42Å; E34-R103 WeakPolarHBondContact OE1-CB 3.31Å; E34-R103 IonicContact OE1-CZ 3.25Å; E34-R103 IonicContact OE1-NE 2.75Å; E34-R103 PolarHBondContact OE1-NE 3.28Å; E34-R103 IonicContact OE1-NH2 3.45Å; E34-R103 IonicContact OE2-CZ 2.71Å; E34-R103 IonicContact OE2-NE 3.1Å; E34-R103 PolarHBondContact OE2-NE 2.98Å; E34-R103 IonicContact OE2-NH2 2.74Å; E34-R103 PolarHBondContact OE2-NH2 2.98Å; D99-R103 WeakPolarHBondContact O-CB 3.18Å; D99-R103 WeakPolarHBondContact O-CG 3.32Å; D99-R103 PolarHBondContact O-N 2.69Å; D99-R103 WeakPolarHBondContact OD2-CD 3.4Å; D99-R103 IonicContact OD2-NE 3.71Å; D99-R103 IonicContact OD2-NH1 2.83Å; D99-R103 PolarHBondContact OD2-NH1 2.86Å; N101-R103 VanDerWaalsContact C-N 3.3Å; N101-R103 PolarHBondContact O-N 3.39Å; R103-N106 PolarHBondContact O-N 3.19Å; R103-L107 WeakPolarHBondContact O-CB 3.48Å; R103-L107 PolarHBondContact O-N 2.91Å
104W96.6Very high94.8Very high20 Ų2060.3 Ų60.38%0.07628%0.282CS..Hα-helixtrans-61.1-44.6170.7178.490.4000111.8F26 L30 V64 L68 L71 G100 N101 N106 L107 Q108F26-W104 HydrophobicContact CZ-CB 4.23Å; L30-W104 HydrophobicContact CD1-CB 4.4Å; V64-W104 PolarHBondContact O-NE1 3.44Å; L68-W104 HydrophobicContact CB-CZ2 4.1Å; L68-W104 HydrophobicContact CD1-CH2 3.88Å; L68-W104 HydrophobicContact CD1-CZ2 3.81Å; L68-W104 HydrophobicContact CD1-CZ3 4.47Å; L68-W104 HydrophobicContact CD2-CZ2 4.5Å; L68-W104 HydrophobicContact CG-CZ2 4.35Å; L71-W104 HydrophobicContact CD2-CB 3.68Å; L71-W104 HydrophobicContact CD2-CD2 3.64Å; L71-W104 HydrophobicContact CD2-CE3 3.95Å; L71-W104 HydrophobicContact CD2-CG 3.5Å; G100-W104 WeakPolarHBondContact O-CB 3.35Å; G100-W104 PolarHBondContact O-N 2.86Å; N101-W104 PolarHBondContact O-N 3.35Å; W104-N106 VanDerWaalsContact C-N 3.32Å; W104-N106 PolarHBondContact O-N 2.98Å; W104-L107 WeakPolarHBondContact O-CB 3.21Å; W104-L107 PolarHBondContact O-N 3.3Å; W104-Q108 HydrophobicContact CH2-CG 4.45Å; W104-Q108 HydrophobicContact CZ2-CG 4.47Å; W104-Q108 WeakPolarHBondContact O-CB 3.29Å; W104-Q108 PolarHBondContact O-N 3.03Å
105D95.6Very high94.9Very high62 Ų6254.4 Ų54.433%0.33226%0.26SS..Hα-helixtrans-52.7-48.4173-109.936.3000111.8N101 R102 Q108 K109N101-D105 WeakPolarHBondContact O-CB 3.23Å; N101-D105 PolarHBondContact O-N 3.34Å; R102-D105 WeakPolarHBondContact O-CB 3.45Å; D105-Q108 PolarHBondContact O-N 2.92Å; D105-K109 WeakPolarHBondContact O-CB 3.3Å; D105-K109 VanDerWaalsContact O-CD 3.24Å; D105-K109 WeakPolarHBondContact O-CD 3.34Å; D105-K109 WeakPolarHBondContact O-CG 3.32Å; D105-K109 PolarHBondContact O-N 3.17Å; D105-K109 IonicContact OD2-NZ 3.28Å; D105-K109 PolarHBondContact OD2-NZ 3.35Å
106N96.2Very high94.9Very high91 Ų9156 Ų5649%0.48726%0.261SS..Hα-helixtrans-68.4-39.4179.9-73.8-22.8000112.1R102 R103 W104 R110R102-N106 WeakPolarHBondContact O-CB 3.47Å; R102-N106 PolarHBondContact O-N 3.16Å; R102-N106 VanDerWaalsContact O-N 3.07Å; R102-N106 PolarHBondContact O-ND2 3.15Å; R103-N106 PolarHBondContact O-N 3.19Å; W104-N106 VanDerWaalsContact C-N 3.32Å; W104-N106 PolarHBondContact O-N 2.98Å; N106-R110 WeakPolarHBondContact O-CB 3.46Å; N106-R110 PolarHBondContact O-N 2.89Å
107L95.9Very high94.8Very high4 Ų459.7 Ų59.72%0.02127%0.273CS..Hα-helixtrans-61.4-48.7173.4172.863.3000111.1W29 L30 A37 F60 V64 R103 W104 K109 R110 V111W29-L107 HydrophobicContact CH2-CD2 4.04Å; W29-L107 HydrophobicContact CZ3-CD2 4.31Å; L30-L107 HydrophobicContact CD1-CD2 3.75Å; A37-L107 HydrophobicContact CB-CD1 3.67Å; F60-L107 HydrophobicContact CE1-CD1 4.34Å; F60-L107 HydrophobicContact CZ-CD1 4.28Å; V64-L107 HydrophobicContact CG2-CD2 4.16Å; V64-L107 HydrophobicContact CG2-CG 4.41Å; R103-L107 WeakPolarHBondContact O-CB 3.48Å; R103-L107 PolarHBondContact O-N 2.91Å; W104-L107 WeakPolarHBondContact O-CB 3.21Å; W104-L107 PolarHBondContact O-N 3.3Å; L107-K109 PolarHBondContact O-N 3.38Å; L107-R110 PolarHBondContact O-N 2.87Å; L107-V111 HydrophobicContact CD1-CG2 4.07Å; L107-V111 WeakPolarHBondContact O-CG2 3.31Å; L107-V111 PolarHBondContact O-N 3.3Å
108Q94.4Very high94.7Very high67 Ų6759.6 Ų59.631%0.31327%0.272SS..Hα-helixtrans-61.5-46.3179.8-163.1-163.338.600111.1V64 W104 D105 R110 V111 A112V64-Q108 HydrophobicContact CG1-CB 4.47Å; V64-Q108 HydrophobicContact CG1-CG 4.48Å; W104-Q108 HydrophobicContact CH2-CG 4.45Å; W104-Q108 HydrophobicContact CZ2-CG 4.47Å; W104-Q108 WeakPolarHBondContact O-CB 3.29Å; W104-Q108 PolarHBondContact O-N 3.03Å; D105-Q108 PolarHBondContact O-N 2.92Å; Q108-R110 VanDerWaalsContact C-N 3.32Å; Q108-R110 PolarHBondContact O-N 2.67Å; Q108-V111 PolarHBondContact O-N 2.93Å; Q108-A112 WeakPolarHBondContact O-CB 3.37Å; Q108-A112 PolarHBondContact O-N 3.2Å
109K95.1Very high94.7Very high114 Ų11459.5 Ų59.550%0.49627%0.27SS..Hα-helixtrans-60.2-40175.2-70.2161.1-161.5164.90111.9D105 L107 A113D105-K109 WeakPolarHBondContact O-CB 3.3Å; D105-K109 VanDerWaalsContact O-CD 3.24Å; D105-K109 WeakPolarHBondContact O-CD 3.34Å; D105-K109 WeakPolarHBondContact O-CG 3.32Å; D105-K109 PolarHBondContact O-N 3.17Å; D105-K109 IonicContact OD2-NZ 3.28Å; D105-K109 PolarHBondContact OD2-NZ 3.35Å; L107-K109 PolarHBondContact O-N 3.38Å; K109-A113 WeakPolarHBondContact O-CB 3.36Å; K109-A113 PolarHBondContact O-N 3.5Å
110R95.3Very high94.5Very high127 Ų12762.7 Ų62.748%0.47928%0.283SS..Hα-helixtrans-67.5-47.6177.8-170.9173.5-174.7121.52.4111.9A37 A38 N106 L107 Q108 A112 A113 I114A37-R110 HydrophobicContact CB-CG 4.33Å; A37-R110 PolarHBondContact O-NE 3.34Å; A38-R110 PolarHBondContact O-NH2 3.4Å; N106-R110 WeakPolarHBondContact O-CB 3.46Å; N106-R110 PolarHBondContact O-N 2.89Å; L107-R110 PolarHBondContact O-N 2.87Å; Q108-R110 VanDerWaalsContact C-N 3.32Å; Q108-R110 PolarHBondContact O-N 2.67Å; R110-A112 VanDerWaalsContact C-N 3.35Å; R110-A112 PolarHBondContact O-N 2.9Å; R110-A113 WeakPolarHBondContact O-CB 3.49Å; R110-A113 PolarHBondContact O-N 3.4Å; R110-A113 VanDerWaalsContact O-N 3.14Å; R110-I114 HydrophobicContact CG-CD1 4.05Å; R110-I114 WeakPolarHBondContact O-CD1 3.45Å; R110-I114 VanDerWaalsContact O-CG1 3.27Å; R110-I114 WeakPolarHBondContact O-CG1 3.46Å; R110-I114 PolarHBondContact O-N 2.81Å
111V95.3Very high94.2Very high2 Ų264.7 Ų64.71%0.01229%0.292CS..Hα-helixtrans-59.3-44.9175.3169.40000111.1A37 F57 F60 Q61 L107 Q108 A113 I114 L115A37-V111 HydrophobicContact CB-CG2 4.43Å; F57-V111 HydrophobicContact CD1-CG1 4.38Å; F57-V111 HydrophobicContact CD1-CG2 4.47Å; F57-V111 HydrophobicContact CE1-CG2 4.41Å; F60-V111 HydrophobicContact CD1-CG2 3.81Å; F60-V111 HydrophobicContact CE1-CG2 3.54Å; Q61-V111 HydrophobicContact CB-CG1 3.99Å; Q61-V111 HydrophobicContact CG-CG1 4.24Å; L107-V111 HydrophobicContact CD1-CG2 4.07Å; L107-V111 WeakPolarHBondContact O-CG2 3.31Å; L107-V111 PolarHBondContact O-N 3.3Å; Q108-V111 PolarHBondContact O-N 2.93Å; V111-A113 VanDerWaalsContact C-N 3.29Å; V111-A113 PolarHBondContact O-N 3.21Å; V111-I114 PolarHBondContact O-N 3.4Å; V111-L115 HydrophobicContact CG1-CD1 4Å; V111-L115 WeakPolarHBondContact O-CG 3.06Å; V111-L115 PolarHBondContact O-N 3.09Å
112A93.8Very high93.9Very high33 Ų3363.1 Ų63.127%0.27328%0.284SS..Hα-helixtrans-63.6-31.7176.100000113.3Q108 R110 R116Q108-A112 WeakPolarHBondContact O-CB 3.37Å; Q108-A112 PolarHBondContact O-N 3.2Å; R110-A112 VanDerWaalsContact C-N 3.35Å; R110-A112 PolarHBondContact O-N 2.9Å; A112-R116 WeakPolarHBondContact O-CB 3.21Å; A112-R116 PolarHBondContact O-N 3.45Å; A112-R116 VanDerWaalsContact O-N 3.16Å
113A93.6Very high93.7Very high46 Ų4658 Ų5838%0.3827%0.271SS..Hα-helixtrans-72-41.6174.100000112.7K109 R110 V111 R116 R117K109-A113 WeakPolarHBondContact O-CB 3.36Å; K109-A113 PolarHBondContact O-N 3.5Å; R110-A113 WeakPolarHBondContact O-CB 3.49Å; R110-A113 PolarHBondContact O-N 3.4Å; R110-A113 VanDerWaalsContact O-N 3.14Å; V111-A113 VanDerWaalsContact C-N 3.29Å; V111-A113 PolarHBondContact O-N 3.21Å; A113-R116 PolarHBondContact O-N 3.43Å; A113-R117 PolarHBondContact O-N 2.92Å; A113-R117 VanDerWaalsContact O-N 3.08Å
114I92.2Very high93.4Very high10 Ų1059.7 Ų59.75%0.05128%0.281CS..Hα-helixtrans-60.8-50.5176.5-66.8161.1000110.3A37 P40 F57 R110 V111 R116 R117 L118A37-I114 HydrophobicContact CB-CD1 4.46Å; P40-I114 HydrophobicContact CB-CD1 3.75Å; P40-I114 HydrophobicContact CB-CG1 3.93Å; P40-I114 HydrophobicContact CB-CG2 3.74Å; P40-I114 HydrophobicContact CG-CD1 3.65Å; P40-I114 HydrophobicContact CG-CG1 3.67Å; P40-I114 HydrophobicContact CG-CG2 4.33Å; F57-I114 HydrophobicContact CD1-CB 4.4Å; F57-I114 HydrophobicContact CD1-CD1 4.35Å; F57-I114 HydrophobicContact CD1-CG2 3.9Å; F57-I114 HydrophobicContact CD2-CG2 4Å; F57-I114 HydrophobicContact CE1-CB 4.49Å; F57-I114 HydrophobicContact CE1-CD1 3.66Å; F57-I114 HydrophobicContact CE1-CG2 4.06Å; F57-I114 HydrophobicContact CE2-CG2 4.14Å; F57-I114 HydrophobicContact CG-CG2 3.87Å; F57-I114 HydrophobicContact CZ-CD1 4Å; F57-I114 HydrophobicContact CZ-CG2 4.18Å; R110-I114 HydrophobicContact CG-CD1 4.05Å; R110-I114 WeakPolarHBondContact O-CD1 3.45Å; R110-I114 VanDerWaalsContact O-CG1 3.27Å; R110-I114 WeakPolarHBondContact O-CG1 3.46Å; R110-I114 PolarHBondContact O-N 2.81Å; V111-I114 PolarHBondContact O-N 3.4Å; I114-R116 PolarHBondContact O-N 3.45Å; I114-R117 PolarHBondContact O-N 2.94Å; I114-L118 HydrophobicContact CG2-CD1 3.85Å; I114-L118 PolarHBondContact O-N 3.36Å
115L92Very high93.3Very high11 Ų1159.7 Ų59.76%0.05828%0.281CS..Hα-helixtrans-59.8-42.7177.8-76.1172.4000112.6L54 F57 E58 Q61 V111 R117 L118 K119L54-L115 HydrophobicContact CD1-CD2 3.62Å; F57-L115 HydrophobicContact CB-CD2 3.61Å; F57-L115 HydrophobicContact CB-CG 4.1Å; E58-L115 HydrophobicContact CG-CD2 3.68Å; Q61-L115 HydrophobicContact CB-CD1 3.93Å; Q61-L115 HydrophobicContact CG-CD1 4.18Å; V111-L115 HydrophobicContact CG1-CD1 4Å; V111-L115 WeakPolarHBondContact O-CG 3.06Å; V111-L115 PolarHBondContact O-N 3.09Å; L115-R117 VanDerWaalsContact C-N 3.32Å; L115-R117 PolarHBondContact O-N 3.04Å; L115-L118 PolarHBondContact O-N 2.88Å; L115-K119 WeakPolarHBondContact O-CB 3.17Å; L115-K119 WeakPolarHBondContact O-CG 3.45Å; L115-K119 PolarHBondContact O-N 2.78Å
116R93.9Very high93.2Very high166 Ų16660.3 Ų60.363%0.62628%0.282SS*.Hα-helixtrans-61.8-39.9177-167.2-176.1-53.3100.67.9112A112 A113 I114 H120A112-R116 WeakPolarHBondContact O-CB 3.21Å; A112-R116 PolarHBondContact O-N 3.45Å; A112-R116 VanDerWaalsContact O-N 3.16Å; A113-R116 PolarHBondContact O-N 3.43Å; I114-R116 PolarHBondContact O-N 3.45Å; R116-H120 VanDerWaalsContact O-CB 3.29Å; R116-H120 WeakPolarHBondContact O-CB 3.25Å; R116-H120 PolarHBondContact O-N 2.74Å
117R91.8Very high93.1Very high113 Ų11360.5 Ų60.543%0.42628%0.28SS..Hα-helixtrans-68.2-46.7177.7-175.1164.666.8157.810.2111.9S42 S43 A113 I114 L115 H120 F121S42-R117 WeakPolarHBondContact O-CD 3.45Å; S42-R117 WeakPolarHBondContact O-CG 3.46Å; S42-R117 VanDerWaalsContact O-CZ 3.26Å; S42-R117 PolarHBondContact O-NE 3.14Å; S42-R117 PolarHBondContact O-NH2 3.25Å; S42-R117 PolarHBondContact OG-NH2 2.82Å; S43-R117 VanDerWaalsContact CB-NH1 3.33Å; S43-R117 VanDerWaalsContact OG-CZ 3.31Å; S43-R117 PolarHBondContact OG-NH1 2.92Å; S43-R117 PolarHBondContact OG-NH2 2.98Å; A113-R117 PolarHBondContact O-N 2.92Å; A113-R117 VanDerWaalsContact O-N 3.08Å; I114-R117 PolarHBondContact O-N 2.94Å; L115-R117 VanDerWaalsContact C-N 3.32Å; L115-R117 PolarHBondContact O-N 3.04Å; R117-H120 PolarHBondContact O-N 3.13Å; R117-F121 PolarHBondContact O-N 2.91Å
118L91.4Very high93.1Very high2 Ų260.3 Ų60.31%0.0128%0.279CS..Hα-helixtrans-60-49.6176.8-75.6167.2000111.7A50 E53 L54 I114 L115 H120 F121 I122A50-L118 HydrophobicContact CB-CD2 4.11Å; E53-L118 HydrophobicContact CB-CD1 4.39Å; E53-L118 HydrophobicContact CB-CD2 4.44Å; E53-L118 HydrophobicContact CG-CD1 4.21Å; L54-L118 HydrophobicContact CB-CB 4.3Å; L54-L118 HydrophobicContact CB-CD1 4.43Å; L54-L118 HydrophobicContact CD1-CB 4.1Å; I114-L118 HydrophobicContact CG2-CD1 3.85Å; I114-L118 PolarHBondContact O-N 3.36Å; L115-L118 PolarHBondContact O-N 2.88Å; L118-H120 VanDerWaalsContact C-N 3.34Å; L118-H120 PolarHBondContact O-N 3.32Å; L118-F121 PolarHBondContact O-N 2.96Å; L118-I122 WeakPolarHBondContact O-CB 3.39Å; L118-I122 WeakPolarHBondContact O-CD1 3.42Å; L118-I122 WeakPolarHBondContact O-CG1 3.47Å; L118-I122 PolarHBondContact O-N 2.99Å
119K93.8Very high93.1Very high102 Ų10258.7 Ų58.744%0.44327%0.272SS..Hα-helixtrans-61.5-40.1177.7-70.8-167.9178-156.40112.5L54 E58 L115 S123L54-K119 HydrophobicContact CD1-CD 4.41Å; L54-K119 HydrophobicContact CD1-CG 3.65Å; L54-K119 HydrophobicContact CD2-CG 4.01Å; E58-K119 WeakPolarHBondContact OE1-CE 3.45Å; E58-K119 IonicContact OE1-NZ 2.67Å; E58-K119 PolarHBondContact OE1-NZ 2.84Å; L115-K119 WeakPolarHBondContact O-CB 3.17Å; L115-K119 WeakPolarHBondContact O-CG 3.45Å; L115-K119 PolarHBondContact O-N 2.78Å; K119-S123 WeakPolarHBondContact O-CB 3.44Å; K119-S123 PolarHBondContact O-N 3.44Å
120H91.3Very high93.1Very high112 Ų11256.4 Ų56.452%0.51927%0.267SS..Hα-helixtrans-64.5-46.5178-177.436.5000112.4R116 R117 L118 I122 S123 Q124R116-H120 VanDerWaalsContact O-CB 3.29Å; R116-H120 WeakPolarHBondContact O-CB 3.25Å; R116-H120 PolarHBondContact O-N 2.74Å; R117-H120 PolarHBondContact O-N 3.13Å; L118-H120 VanDerWaalsContact C-N 3.34Å; L118-H120 PolarHBondContact O-N 3.32Å; H120-I122 PolarHBondContact O-N 3.24Å; H120-S123 PolarHBondContact O-N 3.26Å; H120-Q124 PolarHBondContact CE1-NE2 3.24Å; H120-Q124 WeakPolarHBondContact O-CG 3.4Å; H120-Q124 PolarHBondContact O-N 2.86Å
121F88.8Confident93Very high41 Ų4151.7 Ų51.718%0.1826%0.255CS..Hα-helixtrans-60.6-45177.8174.1-111.5000112.2A50 R117 L118 Q124 R125A50-F121 HydrophobicContact CB-CD1 3.81Å; A50-F121 HydrophobicContact CB-CE1 3.81Å; R117-F121 PolarHBondContact O-N 2.91Å; L118-F121 PolarHBondContact O-N 2.96Å; F121-Q124 PolarHBondContact O-N 3.23Å; F121-R125 PolarHBondContact O-N 3.45Å
122I90.8Very high93.1Very high7 Ų753 Ų534%0.03626%0.26CS..Hα-helixtrans-65.2-47.5177.8-71161.3000110.9Y47 A50 K51 L54 L118 H120 Q124 R125 E126Y47-I122 HydrophobicContact CE2-CG2 4.35Å; A50-I122 HydrophobicContact CB-CD1 4.31Å; A50-I122 HydrophobicContact CB-CG1 4.33Å; K51-I122 HydrophobicContact CB-CD1 4.48Å; K51-I122 HydrophobicContact CG-CD1 3.79Å; K51-I122 HydrophobicContact CG-CG1 4.03Å; K51-I122 HydrophobicContact CG-CG2 4.29Å; L54-I122 HydrophobicContact CB-CD1 4.01Å; L54-I122 HydrophobicContact CD2-CD1 3.62Å; L54-I122 HydrophobicContact CG-CD1 4.42Å; L118-I122 WeakPolarHBondContact O-CB 3.39Å; L118-I122 WeakPolarHBondContact O-CD1 3.42Å; L118-I122 WeakPolarHBondContact O-CG1 3.47Å; L118-I122 PolarHBondContact O-N 2.99Å; H120-I122 PolarHBondContact O-N 3.24Å; I122-Q124 VanDerWaalsContact C-N 3.31Å; I122-Q124 PolarHBondContact O-N 3.46Å; I122-R125 PolarHBondContact O-N 3.15Å; I122-R125 VanDerWaalsContact O-N 3.11Å; I122-E126 VanDerWaalsContact CG2-CD 3.48Å; I122-E126 HydrophobicContact CG2-CG 4.24Å; I122-E126 WeakPolarHBondContact CG2-OE1 3.39Å; I122-E126 WeakPolarHBondContact CG2-OE2 3.41Å; I122-E126 WeakPolarHBondContact O-CG 3.08Å; I122-E126 PolarHBondContact O-N 3.41Å
123S93.5Very high93.2Very high47 Ų4754.3 Ų54.333%0.32926%0.262SS..Hα-helixtrans-55.9-43.5177.1-162.30000111.7K119 H120 R125 E126 E127K119-S123 WeakPolarHBondContact O-CB 3.44Å; K119-S123 PolarHBondContact O-N 3.44Å; H120-S123 PolarHBondContact O-N 3.26Å; S123-R125 VanDerWaalsContact C-N 3.32Å; S123-R125 PolarHBondContact O-N 3.35Å; S123-E126 PolarHBondContact O-N 3Å; S123-E127 WeakPolarHBondContact CB-OE1 3.38Å; S123-E127 WeakPolarHBondContact O-CB 3.29Å; S123-E127 WeakPolarHBondContact O-CG 3.38Å; S123-E127 PolarHBondContact O-N 3.46Å; S123-E127 PolarHBondContact OG-OE1 3.02Å
124Q91.1Very high93.3Very high76 Ų7656 Ų5636%0.35527%0.271SS..Hα-helixtrans-62.9-35178.6-73.5-178.5-52.600113.5H120 F121 I122 F128 L188H120-Q124 PolarHBondContact CE1-NE2 3.24Å; H120-Q124 WeakPolarHBondContact O-CG 3.4Å; H120-Q124 PolarHBondContact O-N 2.86Å; F121-Q124 PolarHBondContact O-N 3.23Å; I122-Q124 VanDerWaalsContact C-N 3.31Å; I122-Q124 PolarHBondContact O-N 3.46Å; Q124-F128 PolarHBondContact O-N 3.28Å; Q124-L188 HydrophobicContact CB-CD2 4.02Å
125R92.6Very high93.5Very high20 Ų2055.9 Ų55.98%0.07527%0.271CS..Hα-helixtrans-74.2-43.1175.3176.160.5-170.2176.29.1111.5Y47 F121 I122 S123 F128 E129 E203Y47-R125 HydrophobicContact CD1-CG 4.28Å; Y47-R125 HydrophobicContact CD2-CB 4.27Å; Y47-R125 HydrophobicContact CD2-CG 4.01Å; Y47-R125 HydrophobicContact CE1-CG 3.92Å; Y47-R125 HydrophobicContact CE2-CB 3.9Å; Y47-R125 HydrophobicContact CE2-CG 3.65Å; Y47-R125 HydrophobicContact CG-CG 4.3Å; F121-R125 PolarHBondContact O-N 3.45Å; I122-R125 PolarHBondContact O-N 3.15Å; I122-R125 VanDerWaalsContact O-N 3.11Å; S123-R125 VanDerWaalsContact C-N 3.32Å; S123-R125 PolarHBondContact O-N 3.35Å; R125-F128 PolarHBondContact O-N 3.42Å; R125-E129 HydrophobicContact CG-CG 4.48Å; R125-E129 IonicContact CZ-OE1 2.92Å; R125-E129 VanDerWaalsContact NE-CD 3.29Å; R125-E129 IonicContact NE-OE1 3.25Å; R125-E129 PolarHBondContact NE-OE1 3.41Å; R125-E129 IonicContact NH2-OE1 3.54Å; R125-E129 PolarHBondContact NH2-OE1 3.4Å; R125-E129 WeakPolarHBondContact O-CG 3.41Å; R125-E129 PolarHBondContact O-N 3.37Å; R125-E203 IonicContact CZ-OE1 3.74Å; R125-E203 IonicContact CZ-OE2 3.02Å; R125-E203 VanDerWaalsContact CZ-OE2 3.25Å; R125-E203 IonicContact NH1-OE2 2.71Å; R125-E203 PolarHBondContact NH1-OE2 2.87Å; R125-E203 VanDerWaalsContact NH2-CD 3.29Å; R125-E203 IonicContact NH2-OE1 3.42Å; R125-E203 PolarHBondContact NH2-OE1 2.79Å; R125-E203 IonicContact NH2-OE2 3.28Å; R125-E203 PolarHBondContact NH2-OE2 3.37Å
126E94.4Very high93.8Very high75 Ų7557.9 Ų57.935%0.3528%0.281SS..Hα-helixtrans-66.7-36.7178.1-68.1173.3158.200112.3Y47 K51 I122 S123 T130Y47-E126 WeakPolarHBondContact OH-CG 3.2Å; K51-E126 WeakPolarHBondContact CE-OE1 3.43Å; K51-E126 IonicContact NZ-OE1 3.56Å; K51-E126 PolarHBondContact NZ-OE1 3.38Å; I122-E126 VanDerWaalsContact CG2-CD 3.48Å; I122-E126 HydrophobicContact CG2-CG 4.24Å; I122-E126 WeakPolarHBondContact CG2-OE1 3.39Å; I122-E126 WeakPolarHBondContact CG2-OE2 3.41Å; I122-E126 WeakPolarHBondContact O-CG 3.08Å; I122-E126 PolarHBondContact O-N 3.41Å; S123-E126 PolarHBondContact O-N 3Å; E126-T130 WeakPolarHBondContact O-CB 3.46Å; E126-T130 PolarHBondContact O-N 3.16Å; E126-T130 PolarHBondContact O-OG1 2.93Å
127E93.9Very high93.9Very high95 Ų9555 Ų5544%0.44428%0.282SS..Hα-helixtrans-62.3-42.4171.9-75.8162.1-134.300111.5S123 A131S123-E127 WeakPolarHBondContact CB-OE1 3.38Å; S123-E127 WeakPolarHBondContact O-CB 3.29Å; S123-E127 WeakPolarHBondContact O-CG 3.38Å; S123-E127 PolarHBondContact O-N 3.46Å; S123-E127 PolarHBondContact OG-OE1 3.02Å; E127-A131 VanDerWaalsContact O-CB 3.27Å; E127-A131 WeakPolarHBondContact O-CB 3.4Å; E127-A131 PolarHBondContact O-N 3.37Å
128F95.5Very high94.2Very high1 Ų151.5 Ų51.50%0.00427%0.269CS..Hα-helixtrans-66.7-48.2174.9165.7-96.7000112.1Q124 R125 T130 A131 R132 V181 Q184 L188 I200 L204Q124-F128 PolarHBondContact O-N 3.28Å; R125-F128 PolarHBondContact O-N 3.42Å; F128-T130 VanDerWaalsContact C-N 3.32Å; F128-T130 PolarHBondContact O-N 3.08Å; F128-A131 PolarHBondContact O-N 3.49Å; F128-R132 VanDerWaalsContact O-CB 3.3Å; F128-R132 WeakPolarHBondContact O-CB 3.45Å; F128-R132 PolarHBondContact O-N 3.46Å; F128-V181 HydrophobicContact CD2-CG1 4.23Å; F128-V181 HydrophobicContact CE2-CG1 3.78Å; F128-V181 WeakPolarHBondContact CE2-O 3.5Å; F128-Q184 HydrophobicContact CD2-CB 4.11Å; F128-L188 HydrophobicContact CB-CD1 3.49Å; F128-L188 VanDerWaalsContact CB-CD1 3.49Å; F128-L188 HydrophobicContact CD1-CD1 4.08Å; F128-L188 HydrophobicContact CD2-CD1 4.39Å; F128-L188 HydrophobicContact CG-CD1 3.72Å; F128-I200 HydrophobicContact CD1-CG2 4.45Å; F128-I200 HydrophobicContact CE1-CG2 3.74Å; F128-I200 HydrophobicContact CZ-CG2 3.81Å; F128-L204 HydrophobicContact CE2-CD2 3.78Å; F128-L204 HydrophobicContact CZ-CD2 3.79Å; F128-L204 HydrophobicContact CZ-CG 4.25Å
129E94.1Very high94.5Very high33 Ų3351.4 Ų51.415%0.15427%0.268CS..Hα-helixtrans-54.9-49.2176.8-73.5169.4157.400110.1Y47 R125 A131 R132 D133Y47-E129 PolarHBondContact OH-OE2 3.36Å; R125-E129 HydrophobicContact CG-CG 4.48Å; R125-E129 IonicContact CZ-OE1 2.92Å; R125-E129 VanDerWaalsContact NE-CD 3.29Å; R125-E129 IonicContact NE-OE1 3.25Å; R125-E129 PolarHBondContact NE-OE1 3.41Å; R125-E129 IonicContact NH2-OE1 3.54Å; R125-E129 PolarHBondContact NH2-OE1 3.4Å; R125-E129 WeakPolarHBondContact O-CG 3.41Å; R125-E129 PolarHBondContact O-N 3.37Å; E129-A131 PolarHBondContact O-N 3.26Å; E129-R132 PolarHBondContact O-N 3.05Å; E129-D133 WeakPolarHBondContact O-CB 3.2Å; E129-D133 PolarHBondContact O-N 2.83Å
130T95.1Very high94.6Very high65 Ų6549.6 Ų49.640%0.39927%0.265SS..Hα-helixtrans-62-42.4177.5-54.20000112.8E126 F128 S134E126-T130 WeakPolarHBondContact O-CB 3.46Å; E126-T130 PolarHBondContact O-N 3.16Å; E126-T130 PolarHBondContact O-OG1 2.93Å; F128-T130 VanDerWaalsContact C-N 3.32Å; F128-T130 PolarHBondContact O-N 3.08Å; T130-S134 WeakPolarHBondContact O-CB 3.24Å; T130-S134 PolarHBondContact O-N 3.22Å; T130-S134 VanDerWaalsContact O-N 3.1Å
131A94.1Very high94.9Very high28 Ų2848.9 Ų48.923%0.23126%0.262CS..Hα-helixtrans-70.8-40-178.800000112.2E127 F128 E129 S134 I135 V181E127-A131 VanDerWaalsContact O-CB 3.27Å; E127-A131 WeakPolarHBondContact O-CB 3.4Å; E127-A131 PolarHBondContact O-N 3.37Å; F128-A131 PolarHBondContact O-N 3.49Å; E129-A131 PolarHBondContact O-N 3.26Å; A131-S134 PolarHBondContact O-N 2.93Å; A131-I135 PolarHBondContact O-N 3.39Å; A131-V181 HydrophobicContact CB-CG2 3.81Å
132R97.1Very high95.3Very high31 Ų3147.1 Ų47.112%0.11726%0.255CS..Hα-helixtrans-58.1-49.9171.6178-157.967.1-1591.9111F128 E129 S134 I135 L136 V181 E203 L207F128-R132 VanDerWaalsContact O-CB 3.3Å; F128-R132 WeakPolarHBondContact O-CB 3.45Å; F128-R132 PolarHBondContact O-N 3.46Å; E129-R132 PolarHBondContact O-N 3.05Å; R132-S134 VanDerWaalsContact C-N 3.3Å; R132-S134 PolarHBondContact O-N 2.97Å; R132-I135 PolarHBondContact O-N 2.98Å; R132-L136 HydrophobicContact CG-CD1 4.18Å; R132-L136 PolarHBondContact O-N 2.98Å; R132-V181 HydrophobicContact CB-CG1 4.03Å; R132-E203 IonicContact CZ-OE1 3.56Å; R132-E203 IonicContact NH1-OE1 3.31Å; R132-E203 PolarHBondContact NH1-OE1 2.81Å; R132-E203 IonicContact NH1-OE2 3.93Å; R132-E203 PolarHBondContact NH1-OE2 2.96Å; R132-E203 VanDerWaalsContact NH1-OE2 3.13Å; R132-L207 HydrophobicContact CG-CD2 4.19Å
133D95.9Very high95.5Very high59 Ų5948.3 Ų48.332%0.31626%0.261SS..Hα-helixtrans-66.6-33.7-175.9-66.8-9.7000111.9E129 I135 L136 V137E129-D133 WeakPolarHBondContact O-CB 3.2Å; E129-D133 PolarHBondContact O-N 2.83Å; D133-I135 VanDerWaalsContact C-N 3.32Å; D133-I135 PolarHBondContact O-N 3.4Å; D133-L136 PolarHBondContact O-N 2.78Å; D133-V137 WeakPolarHBondContact O-CG2 3.39Å; D133-V137 PolarHBondContact O-N 3.46Å
134S96.9Very high95.5Very high81 Ų8151.1 Ų51.157%0.56627%0.272SS*.Hα-helixtrans-60.8-36.9170.6-172.50000113.2T130 A131 R132 W138T130-S134 WeakPolarHBondContact O-CB 3.24Å; T130-S134 PolarHBondContact O-N 3.22Å; T130-S134 VanDerWaalsContact O-N 3.1Å; A131-S134 PolarHBondContact O-N 2.93Å; R132-S134 VanDerWaalsContact C-N 3.3Å; R132-S134 PolarHBondContact O-N 2.97Å; S134-W138 PolarHBondContact O-N 2.91Å
135I96.6Very high95.8Very high8 Ų851.1 Ų51.14%0.04127%0.272CS..Hα-helixtrans-72.9-42173.3-60.4-57.1000111.1A131 R132 D133 V137 W138 L139 K177 I178 V181 L207A131-I135 PolarHBondContact O-N 3.39Å; R132-I135 PolarHBondContact O-N 2.98Å; D133-I135 VanDerWaalsContact C-N 3.32Å; D133-I135 PolarHBondContact O-N 3.4Å; I135-V137 VanDerWaalsContact C-N 3.34Å; I135-V137 PolarHBondContact O-N 2.91Å; I135-W138 HydrophobicContact CG2-CE3 4.42Å; I135-W138 PolarHBondContact O-N 3.41Å; I135-L139 HydrophobicContact CG2-CD1 3.91Å; I135-L139 HydrophobicContact CG2-CG 4.16Å; I135-L139 WeakPolarHBondContact O-CG 3.22Å; I135-L139 PolarHBondContact O-N 2.8Å; I135-K177 HydrophobicContact CD1-CB 4.12Å; I135-I178 HydrophobicContact CD1-CG1 3.89Å; I135-I178 HydrophobicContact CG1-CG1 4.29Å; I135-I178 HydrophobicContact CG2-CD1 4.46Å; I135-I178 HydrophobicContact CG2-CG1 3.95Å; I135-V181 HydrophobicContact CG1-CG2 4.14Å; I135-L207 HydrophobicContact CB-CD1 4.48Å; I135-L207 HydrophobicContact CG2-CD1 3.89Å
136L96.9Very high95.8Very high54 Ų5450.1 Ų50.128%0.28327%0.268SS..Hα-helixtrans-59.5-42.3177.8-71.8172000112.2R132 D133 L139 T140 L207 Y210R132-L136 HydrophobicContact CG-CD1 4.18Å; R132-L136 PolarHBondContact O-N 2.98Å; D133-L136 PolarHBondContact O-N 2.78Å; L136-L139 PolarHBondContact O-N 3.26Å; L136-T140 WeakPolarHBondContact O-CB 3.45Å; L136-T140 PolarHBondContact O-N 2.99Å; L136-T140 PolarHBondContact O-OG1 3.5Å; L136-L207 HydrophobicContact CD2-CD1 3.66Å; L136-L207 HydrophobicContact CG-CD1 4.12Å; L136-Y210 HydrophobicContact CD2-CD1 4.34Å
137V97.1Very high95.8Very high105 Ų10548.5 Ų48.564%0.63626%0.263SS*.Hα-helixtrans-63.3-44.7175.71710000111.5D133 I135 T140 E141D133-V137 WeakPolarHBondContact O-CG2 3.39Å; D133-V137 PolarHBondContact O-N 3.46Å; I135-V137 VanDerWaalsContact C-N 3.34Å; I135-V137 PolarHBondContact O-N 2.91Å; V137-T140 PolarHBondContact O-N 3.04Å; V137-E141 PolarHBondContact O-N 3.45Å
138W97.8Very high95.8Very high40 Ų4048.1 Ų48.115%0.15226%0.264CS..Hα-helixtrans-65.6-40.2177.2167.674.6000112.9S134 I135 T140 E141 M142 E170 I171 N174 I178 F215S134-W138 PolarHBondContact O-N 2.91Å; I135-W138 HydrophobicContact CG2-CE3 4.42Å; I135-W138 PolarHBondContact O-N 3.41Å; W138-T140 VanDerWaalsContact C-N 3.35Å; W138-E141 PolarHBondContact O-N 3.26Å; W138-M142 HydrophobicContact CH2-CE 3.46Å; W138-M142 VanDerWaalsContact CH2-CE 3.46Å; W138-M142 HydrophobicContact CZ2-CE 3.46Å; W138-M142 VanDerWaalsContact CZ2-CE 3.46Å; W138-M142 HydrophobicContact CZ2-SD 4.13Å; W138-M142 HydrophobicContact CZ3-CE 4Å; W138-M142 WeakPolarHBondContact O-CB 3.39Å; W138-M142 PolarHBondContact O-N 3.4Å; W138-E170 HydrophobicContact CZ2-CB 4.46Å; W138-I171 HydrophobicContact CH2-CB 4.5Å; W138-I171 HydrophobicContact CH2-CG1 4.01Å; W138-I171 HydrophobicContact CZ2-CG1 4.22Å; W138-N174 HydrophobicContact CH2-CB 4.05Å; W138-N174 HydrophobicContact CZ2-CB 4.11Å; W138-N174 HydrophobicContact CZ3-CB 4.32Å; W138-I178 HydrophobicContact CH2-CD1 4.36Å; W138-I178 HydrophobicContact CZ3-CD1 3.82Å; W138-F215 AromaticContact CH2-CE1 3.68Å; W138-F215 HydrophobicContact CH2-CE1 3.68Å; W138-F215 AromaticContact CH2-CZ 3.94Å; W138-F215 HydrophobicContact CH2-CZ 3.94Å; W138-F215 AromaticContact CZ3-CE1 3.83Å; W138-F215 HydrophobicContact CZ3-CE1 3.83Å; W138-F215 AromaticContact CZ3-CZ 3.92Å; W138-F215 HydrophobicContact CZ3-CZ 3.92Å
139L97.3Very high95.7Very high0 Ų048.5 Ų48.50%027%0.266CS..Hα-helixtrans-60.5-45.4173.1-72.5169.7000111.2I135 L136 M142 D143 L207 Y210 F215I135-L139 HydrophobicContact CG2-CD1 3.91Å; I135-L139 HydrophobicContact CG2-CG 4.16Å; I135-L139 WeakPolarHBondContact O-CG 3.22Å; I135-L139 PolarHBondContact O-N 2.8Å; L136-L139 PolarHBondContact O-N 3.26Å; L139-M142 HydrophobicContact CD2-CE 4.29Å; L139-M142 PolarHBondContact O-N 3.07Å; L139-D143 VanDerWaalsContact O-CB 3.25Å; L139-D143 WeakPolarHBondContact O-CB 3.45Å; L139-D143 PolarHBondContact O-N 2.96Å; L139-L207 HydrophobicContact CD1-CD1 3.72Å; L139-Y210 HydrophobicContact CB-CD1 3.8Å; L139-Y210 HydrophobicContact CB-CE1 3.56Å; L139-Y210 HydrophobicContact CD1-CD1 3.8Å; L139-Y210 HydrophobicContact CD1-CE1 4.44Å; L139-Y210 HydrophobicContact CG-CD1 4.42Å; L139-F215 HydrophobicContact CD2-CD1 4.35Å; L139-F215 HydrophobicContact CD2-CE1 3.48Å; L139-F215 VanDerWaalsContact CD2-CE1 3.48Å; L139-F215 HydrophobicContact CD2-CZ 3.98Å
140T96.1Very high95.5Very high63 Ų6349 Ų4939%0.38727%0.269SS..Hα-helixtrans-62.6-45.1179.9-54.20000111.4L136 V137 W138 D143 L144L136-T140 WeakPolarHBondContact O-CB 3.45Å; L136-T140 PolarHBondContact O-N 2.99Å; L136-T140 PolarHBondContact O-OG1 3.5Å; V137-T140 PolarHBondContact O-N 3.04Å; W138-T140 VanDerWaalsContact C-N 3.35Å; T140-D143 PolarHBondContact O-N 2.98Å; T140-L144 HydrophobicContact CG2-CD1 4.19Å; T140-L144 WeakPolarHBondContact O-CB 3.3Å; T140-L144 VanDerWaalsContact O-CG 3.28Å; T140-L144 WeakPolarHBondContact O-CG 3.39Å; T140-L144 PolarHBondContact O-N 2.99Å
141E96.6Very high95.2Very high97 Ų9752.3 Ų52.345%0.45328%0.28SS..Hα-helixtrans-63.3-46.3176.9179.557.2-152.600111.5V137 W138 D143 L144 Q145V137-E141 PolarHBondContact O-N 3.45Å; W138-E141 PolarHBondContact O-N 3.26Å; E141-D143 VanDerWaalsContact C-N 3.31Å; E141-D143 PolarHBondContact O-N 3.39Å; E141-L144 PolarHBondContact O-N 2.83Å; E141-Q145 WeakPolarHBondContact O-CG 3.32Å; E141-Q145 PolarHBondContact O-N 2.97Å; E141-Q145 WeakPolarHBondContact OE1-CG 3.39Å; E141-Q145 PolarHBondContact OE1-NE2 3.44Å
142M97Very high94.7Very high5 Ų558.3 Ų58.33%0.02530%0.301CS..Hα-helixtrans-62.7-37.1176.2178.8168.848.100112.3W138 L139 Q145 L146 F167 I171 V214 F215W138-M142 HydrophobicContact CH2-CE 3.46Å; W138-M142 VanDerWaalsContact CH2-CE 3.46Å; W138-M142 HydrophobicContact CZ2-CE 3.46Å; W138-M142 VanDerWaalsContact CZ2-CE 3.46Å; W138-M142 HydrophobicContact CZ2-SD 4.13Å; W138-M142 HydrophobicContact CZ3-CE 4Å; W138-M142 WeakPolarHBondContact O-CB 3.39Å; W138-M142 PolarHBondContact O-N 3.4Å; L139-M142 HydrophobicContact CD2-CE 4.29Å; L139-M142 PolarHBondContact O-N 3.07Å; M142-Q145 PolarHBondContact O-N 3.33Å; M142-L146 WeakPolarHBondContact O-CB 3.38Å; M142-L146 PolarHBondContact O-N 3.39Å; M142-F167 HydrophobicContact CG-CD1 4.42Å; M142-F167 HydrophobicContact CG-CD2 4.39Å; M142-F167 HydrophobicContact CG-CG 4.26Å; M142-F167 HydrophobicContact SD-CB 4.05Å; M142-F167 HydrophobicContact SD-CG 4.27Å; M142-I171 HydrophobicContact CE-CD1 4.22Å; M142-I171 HydrophobicContact CE-CG1 3.81Å; M142-I171 HydrophobicContact SD-CD1 4.02Å; M142-I171 HydrophobicContact SD-CG1 3.85Å; M142-V214 HydrophobicContact CE-CG1 3.96Å; M142-V214 HydrophobicContact CG-CG1 4.35Å; M142-F215 HydrophobicContact CE-CD1 4.01Å; M142-F215 HydrophobicContact CE-CE1 3.74Å
143D95.5Very high94.2Very high32 Ų3257.9 Ų57.917%0.17130%0.302CS..Hα-helixtrans-68.3-39.4177.1-169.224.2000112.2L139 T140 E141 L146 T147 Y210 V214 R217L139-D143 VanDerWaalsContact O-CB 3.25Å; L139-D143 WeakPolarHBondContact O-CB 3.45Å; L139-D143 PolarHBondContact O-N 2.96Å; T140-D143 PolarHBondContact O-N 2.98Å; E141-D143 VanDerWaalsContact C-N 3.31Å; E141-D143 PolarHBondContact O-N 3.39Å; D143-L146 PolarHBondContact O-N 2.74Å; D143-T147 WeakPolarHBondContact O-CB 3.5Å; D143-T147 PolarHBondContact O-N 3.45Å; D143-T147 PolarHBondContact O-OG1 2.72Å; D143-Y210 WeakPolarHBondContact CB-OH 3.27Å; D143-Y210 PolarHBondContact OD2-OH 2.95Å; D143-V214 HydrophobicContact CB-CG1 4.23Å; D143-V214 HydrophobicContact CB-CG2 3.94Å; D143-R217 IonicContact OD1-CZ 2.7Å; D143-R217 IonicContact OD1-NH1 3.58Å; D143-R217 PolarHBondContact OD1-NH1 3.35Å; D143-R217 IonicContact OD1-NH2 3.32Å
144L94.8Very high93.9Very high105 Ų10564.6 Ų64.655%0.5533%0.332SS..Hα-helixtrans-64.4-46.3171.7-72.4170.5000111.8T140 E141 T147 N148T140-L144 HydrophobicContact CG2-CD1 4.19Å; T140-L144 WeakPolarHBondContact O-CB 3.3Å; T140-L144 VanDerWaalsContact O-CG 3.28Å; T140-L144 WeakPolarHBondContact O-CG 3.39Å; T140-L144 PolarHBondContact O-N 2.99Å; E141-L144 PolarHBondContact O-N 2.83Å; L144-T147 WeakPolarHBondContact O-CB 3.35Å; L144-T147 PolarHBondContact O-N 3.3Å; L144-N148 PolarHBondContact O-N 2.97Å
145Q95.9Very high93.4Very high76 Ų7663.5 Ų63.536%0.35532%0.323SS..Hα-helixtrans-64.3-40.8176.1-67.5-1772400111.9E141 M142 T147 N148 I149 F167E141-Q145 WeakPolarHBondContact O-CG 3.32Å; E141-Q145 PolarHBondContact O-N 2.97Å; E141-Q145 WeakPolarHBondContact OE1-CG 3.39Å; E141-Q145 PolarHBondContact OE1-NE2 3.44Å; M142-Q145 PolarHBondContact O-N 3.33Å; Q145-T147 VanDerWaalsContact C-N 3.3Å; Q145-T147 PolarHBondContact O-N 2.99Å; Q145-N148 WeakPolarHBondContact O-CB 3.47Å; Q145-N148 PolarHBondContact O-N 3.15Å; Q145-I149 WeakPolarHBondContact O-CG1 3.38Å; Q145-I149 PolarHBondContact O-N 3.08Å; Q145-F167 HydrophobicContact CB-CE1 4.3Å; Q145-F167 HydrophobicContact CB-CZ 3.7Å
146L94Very high93.1Very high0 Ų067.8 Ų67.80%035%0.346CS..Hα-helixtrans-60.9-40173.2-17964.4000111.5M142 D143 I149 E150 L164 F167 R217 V218 Y221M142-L146 WeakPolarHBondContact O-CB 3.38Å; M142-L146 PolarHBondContact O-N 3.39Å; D143-L146 PolarHBondContact O-N 2.74Å; L146-I149 PolarHBondContact O-N 3.26Å; L146-E150 HydrophobicContact CD1-CG 4.47Å; L146-E150 WeakPolarHBondContact CG-OE1 3.28Å; L146-E150 WeakPolarHBondContact O-CB 3.45Å; L146-E150 WeakPolarHBondContact O-CG 3.44Å; L146-E150 PolarHBondContact O-N 2.83Å; L146-L164 HydrophobicContact CD1-CD2 3.52Å; L146-F167 HydrophobicContact CB-CE2 4Å; L146-F167 HydrophobicContact CD1-CD2 4.35Å; L146-F167 HydrophobicContact CD1-CE2 4.16Å; L146-R217 HydrophobicContact CD2-CB 3.8Å; L146-R217 HydrophobicContact CD2-CG 3.96Å; L146-V218 HydrophobicContact CD1-CG2 4.3Å; L146-V218 HydrophobicContact CD2-CG2 3.8Å; L146-Y221 HydrophobicContact CD1-CD1 3.98Å
147T94.5Very high92.8Very high40 Ų4068.2 Ų68.225%0.24535%0.351CS..Hα-helixtrans-63.6-40.5175-550000111.5D143 L144 Q145 E150 H151 F152 R217D143-T147 WeakPolarHBondContact O-CB 3.5Å; D143-T147 PolarHBondContact O-N 3.45Å; D143-T147 PolarHBondContact O-OG1 2.72Å; L144-T147 WeakPolarHBondContact O-CB 3.35Å; L144-T147 PolarHBondContact O-N 3.3Å; Q145-T147 VanDerWaalsContact C-N 3.3Å; Q145-T147 PolarHBondContact O-N 2.99Å; T147-E150 PolarHBondContact O-N 2.82Å; T147-H151 PolarHBondContact O-N 2.75Å; T147-F152 HydrophobicContact CG2-CE2 4.31Å; T147-R217 PolarHBondContact OG1-NH2 3.25Å
148N93.3Very high92.6Very high87 Ų8769.2 Ų69.247%0.46535%0.349SS..Hα-helixtrans-58.9-51.3172.4-17620.7000111.2L144 Q145 E150 H151 F152 S153L144-N148 PolarHBondContact O-N 2.97Å; Q145-N148 WeakPolarHBondContact O-CB 3.47Å; Q145-N148 PolarHBondContact O-N 3.15Å; N148-E150 VanDerWaalsContact C-N 3.34Å; N148-E150 PolarHBondContact O-N 3.34Å; N148-H151 PolarHBondContact O-N 3.14Å; N148-F152 CarbonylContact O-C 3.58Å; N148-F152 PolarHBondContact O-N 3Å; N148-S153 WeakPolarHBondContact O-CB 3.2Å; N148-S153 PolarHBondContact O-N 3.44Å
149I92.4Very high92.2Very high9 Ų968.9 Ų68.95%0.04636%0.355CS..Hα-helixtrans-63.1-39.6-179.8-60168.6000111.4Q145 L146 K160 Q163 F167 Y221Q145-I149 WeakPolarHBondContact O-CG1 3.38Å; Q145-I149 PolarHBondContact O-N 3.08Å; L146-I149 PolarHBondContact O-N 3.26Å; I149-K160 HydrophobicContact CG2-CB 3.95Å; I149-K160 HydrophobicContact CG2-CD 3.93Å; I149-K160 HydrophobicContact CG2-CG 3.75Å; I149-K160 WeakPolarHBondContact O-CE 3.27Å; I149-K160 PolarHBondContact O-NZ 2.99Å; I149-Q163 HydrophobicContact CD1-CB 3.73Å; I149-Q163 HydrophobicContact CD1-CG 4.4Å; I149-F167 HydrophobicContact CD1-CE2 3.63Å; I149-F167 HydrophobicContact CD1-CZ 3.52Å; I149-Y221 HydrophobicContact CG2-CE1 3.92Å; I149-Y221 PolarHBondContact O-OH 3.44Å
150E89.8Confident92Very high43 Ų4370 Ų7020%0.20136%0.36CS..Hα-helixtrans-70.4-34.4180-82.4-169.9-110.300114.9L146 T147 N148 R217 Y221L146-E150 HydrophobicContact CD1-CG 4.47Å; L146-E150 WeakPolarHBondContact CG-OE1 3.28Å; L146-E150 WeakPolarHBondContact O-CB 3.45Å; L146-E150 WeakPolarHBondContact O-CG 3.44Å; L146-E150 PolarHBondContact O-N 2.83Å; T147-E150 PolarHBondContact O-N 2.82Å; N148-E150 VanDerWaalsContact C-N 3.34Å; N148-E150 PolarHBondContact O-N 3.34Å; E150-R217 IonicContact OE1-CZ 2.93Å; E150-R217 IonicContact OE1-NE 3.36Å; E150-R217 PolarHBondContact OE1-NE 2.91Å; E150-R217 IonicContact OE1-NH2 3.47Å; E150-R217 PolarHBondContact OE1-NH2 3.04Å; E150-Y221 HydrophobicContact CB-CE1 4.29Å; E150-Y221 HydrophobicContact CG-CD1 3.35Å; E150-Y221 HydrophobicContact CG-CD2 4Å; E150-Y221 HydrophobicContact CG-CE1 3.35Å; E150-Y221 HydrophobicContact CG-CE2 3.99Å; E150-Y221 HydrophobicContact CG-CG 3.71Å
151H89.5Confident91.8Very high136 Ų13667.7 Ų67.763%0.6335%0.345SS*.Hα-helixtrans-128.2-24.6-165.2-65.6-13.3000116.1T147 N148T147-H151 PolarHBondContact O-N 2.75Å; N148-H151 PolarHBondContact O-N 3.14Å
152F84.3Confident91.7Very high154 Ų15470.9 Ų70.968%0.67536%0.357SS*.THydrogen-bonded Turntrans-122.5-24.7-169.9-60.4-77.3000113.9T147 N148 E154T147-F152 HydrophobicContact CG2-CE2 4.31Å; N148-F152 CarbonylContact O-C 3.58Å; N148-F152 PolarHBondContact O-N 3Å; F152-E154 PolarHBondContact O-N 3.02Å
153S87.1Confident91.5Very high22 Ų2274.1 Ų74.115%0.15437%0.372CS..  trans-68.3125.1177.1169.70000111.8N148 C155 K160N148-S153 WeakPolarHBondContact O-CB 3.2Å; N148-S153 PolarHBondContact O-N 3.44Å; S153-C155 PolarHBondContact O-N 2.88Å; S153-C155 VanDerWaalsContact OG-CB 3.3Å; S153-C155 WeakPolarHBondContact OG-CB 3.34Å; S153-C155 PolarHBondContact OG-N 3.08Å; S153-C155 PolarHBondContact OG-SG 3.25Å; S153-K160 WeakPolarHBondContact O-CE 3.46Å; S153-K160 PolarHBondContact O-NZ 2.94Å; S153-K160 VanDerWaalsContact OG-CE 3.29Å; S153-K160 WeakPolarHBondContact OG-CE 3.35Å
154E87.9Confident91.5Very high199 Ų19972.6 Ų72.693%0.9336%0.364SS*.  trans-82.95.3172.2-58.8-173.8157.200113.1F152F152-E154 PolarHBondContact O-N 3.02Å
155C87.9Confident91.4Very high58 Ų5874 Ų7439%0.39236%0.362SS..  trans-63.5152.3-179.4-61.10000112.6S153 A159 K160S153-C155 PolarHBondContact O-N 2.88Å; S153-C155 VanDerWaalsContact OG-CB 3.3Å; S153-C155 WeakPolarHBondContact OG-CB 3.34Å; S153-C155 PolarHBondContact OG-N 3.08Å; S153-C155 PolarHBondContact OG-SG 3.25Å; C155-A159 HydrophobicContact CB-CB 4.08Å; C155-K160 HydrophobicContact CB-CG 4.08Å; C155-K160 WeakPolarHBondContact O-CE 3.42Å
156D90.6Very high91.3Very high98 Ų9872.6 Ų72.652%0.52436%0.363SS..  trans-68.9166.9176.688.2-65.5000112.2Q158 A159 K160D156-Q158 VanDerWaalsContact C-N 3.25Å; D156-Q158 PolarHBondContact O-N 2.74Å; D156-Q158 WeakPolarHBondContact OD2-CA 3.49Å; D156-Q158 WeakPolarHBondContact OD2-CB 3.48Å; D156-Q158 PolarHBondContact OD2-N 3.19Å; D156-A159 PolarHBondContact O-N 2.8Å; D156-A159 WeakPolarHBondContact OD1-CB 3.35Å; D156-A159 PolarHBondContact OD1-N 3.01Å; D156-K160 WeakPolarHBondContact O-CG 3.48Å; D156-K160 PolarHBondContact O-N 2.76Å; D156-K160 VanDerWaalsContact O-N 3.08Å
157V90.1Very high91.5Very high64 Ų6473 Ų7339%0.38837%0.365SS..Hα-helixtrans-59.8-35.8-177.6177.90000111.8K160 I161 L225V157-K160 PolarHBondContact O-N 2.89Å; V157-I161 HydrophobicContact CG1-CD1 3.86Å; V157-I161 HydrophobicContact CG1-CG1 4.43Å; V157-I161 WeakPolarHBondContact O-CB 3.5Å; V157-I161 VanDerWaalsContact O-CG1 3.28Å; V157-I161 WeakPolarHBondContact O-CG1 3.29Å; V157-I161 PolarHBondContact O-N 3.42Å; V157-L225 HydrophobicContact CG1-CB 4.24Å; V157-L225 HydrophobicContact CG1-CD2 4.4Å
158Q91.4Very high91.5Very high126 Ų12674.2 Ų74.259%0.58937%0.368SS*.Hα-helixtrans-75.1-39.9-177.7-165.873.3-52.100112.2D156 K160 I161 K162D156-Q158 VanDerWaalsContact C-N 3.25Å; D156-Q158 PolarHBondContact O-N 2.74Å; D156-Q158 WeakPolarHBondContact OD2-CA 3.49Å; D156-Q158 WeakPolarHBondContact OD2-CB 3.48Å; D156-Q158 PolarHBondContact OD2-N 3.19Å; Q158-K160 VanDerWaalsContact C-N 3.33Å; Q158-K160 PolarHBondContact O-N 3.41Å; Q158-I161 PolarHBondContact O-N 3.45Å; Q158-K162 PolarHBondContact O-N 2.94Å
159A90.3Very high91.6Very high33 Ų3374.9 Ų74.927%0.27337%0.368SS..Hα-helixtrans-62.2-40.1171.100000111.9C155 D156 K162 Q163C155-A159 HydrophobicContact CB-CB 4.08Å; D156-A159 PolarHBondContact O-N 2.8Å; D156-A159 WeakPolarHBondContact OD1-CB 3.35Å; D156-A159 PolarHBondContact OD1-N 3.01Å; A159-K162 WeakPolarHBondContact O-CB 3.36Å; A159-K162 PolarHBondContact O-N 2.71Å; A159-Q163 WeakPolarHBondContact O-CG 3.27Å; A159-Q163 PolarHBondContact O-N 2.75Å
160K92.8Very high91.7Very high24 Ų2478.2 Ų78.210%0.10438%0.384CS..Hα-helixtrans-65.2-42.1175.5-66.2-170.3176.1-167.90112.2I149 S153 C155 D156 V157 Q158 K162 Q163 L164 L225I149-K160 HydrophobicContact CG2-CB 3.95Å; I149-K160 HydrophobicContact CG2-CD 3.93Å; I149-K160 HydrophobicContact CG2-CG 3.75Å; I149-K160 WeakPolarHBondContact O-CE 3.27Å; I149-K160 PolarHBondContact O-NZ 2.99Å; S153-K160 WeakPolarHBondContact O-CE 3.46Å; S153-K160 PolarHBondContact O-NZ 2.94Å; S153-K160 VanDerWaalsContact OG-CE 3.29Å; S153-K160 WeakPolarHBondContact OG-CE 3.35Å; C155-K160 HydrophobicContact CB-CG 4.08Å; C155-K160 WeakPolarHBondContact O-CE 3.42Å; D156-K160 WeakPolarHBondContact O-CG 3.48Å; D156-K160 PolarHBondContact O-N 2.76Å; D156-K160 VanDerWaalsContact O-N 3.08Å; V157-K160 PolarHBondContact O-N 2.89Å; Q158-K160 VanDerWaalsContact C-N 3.33Å; Q158-K160 PolarHBondContact O-N 3.41Å; K160-K162 VanDerWaalsContact C-N 3.3Å; K160-K162 PolarHBondContact O-N 3.21Å; K160-Q163 PolarHBondContact O-N 2.86Å; K160-L164 VanDerWaalsContact O-CG 3.31Å; K160-L164 WeakPolarHBondContact O-CG 3.48Å; K160-L164 PolarHBondContact O-N 2.78Å; K160-L225 HydrophobicContact CB-CD1 3.69Å
161I93.4Very high92Very high13 Ų1377.2 Ų77.27%0.06738%0.38CS..Hα-helixtrans-59-40.8171.8-75.1171.2000111.2V157 Q158 L164 R165 Y222 L225V157-I161 HydrophobicContact CG1-CD1 3.86Å; V157-I161 HydrophobicContact CG1-CG1 4.43Å; V157-I161 WeakPolarHBondContact O-CB 3.5Å; V157-I161 VanDerWaalsContact O-CG1 3.28Å; V157-I161 WeakPolarHBondContact O-CG1 3.29Å; V157-I161 PolarHBondContact O-N 3.42Å; Q158-I161 PolarHBondContact O-N 3.45Å; I161-L164 PolarHBondContact O-N 3.41Å; I161-R165 WeakPolarHBondContact O-CG 3.49Å; I161-R165 PolarHBondContact O-N 3.04Å; I161-R165 VanDerWaalsContact O-N 3.16Å; I161-Y222 HydrophobicContact CG2-CE2 3.98Å; I161-L225 HydrophobicContact CD1-CB 4.03Å; I161-L225 HydrophobicContact CG1-CB 3.75Å; I161-L225 HydrophobicContact CG1-CD1 4.12Å
162K93.6Very high92.3Very high164 Ų16478.7 Ų78.771%0.71338%0.381SS*.Hα-helixtrans-64.2-42.1176.4-173.6-179.9178.4-1780112.4Q158 A159 K160 R165 A166Q158-K162 PolarHBondContact O-N 2.94Å; A159-K162 WeakPolarHBondContact O-CB 3.36Å; A159-K162 PolarHBondContact O-N 2.71Å; K160-K162 VanDerWaalsContact C-N 3.3Å; K160-K162 PolarHBondContact O-N 3.21Å; K162-R165 PolarHBondContact O-N 3.3Å; K162-A166 PolarHBondContact O-N 2.95Å
163Q93.4Very high92.8Very high74 Ų7476.6 Ų76.635%0.34638%0.376SS..Hα-helixtrans-66.1-40.9176.8-71.4169.2-25.900112.1I149 A159 K160 R165 A166 F167I149-Q163 HydrophobicContact CD1-CB 3.73Å; I149-Q163 HydrophobicContact CD1-CG 4.4Å; A159-Q163 WeakPolarHBondContact O-CG 3.27Å; A159-Q163 PolarHBondContact O-N 2.75Å; K160-Q163 PolarHBondContact O-N 2.86Å; Q163-R165 VanDerWaalsContact C-N 3.29Å; Q163-R165 PolarHBondContact O-N 3.26Å; Q163-A166 WeakPolarHBondContact O-CA 3.47Å; Q163-A166 VanDerWaalsContact O-CB 3.29Å; Q163-A166 WeakPolarHBondContact O-CB 3.44Å; Q163-A166 PolarHBondContact O-N 3.43Å; Q163-F167 PolarHBondContact O-N 2.87Å; Q163-F167 VanDerWaalsContact O-N 3.12Å
164L94.4Very high93.2Very high0 Ų076.6 Ų76.60%037%0.374CS..Hα-helixtrans-65.7-30.4177.1-66.5168.8000113.1L146 K160 I161 A166 F167 Q168 V218 Y221 Y222 L225L146-L164 HydrophobicContact CD1-CD2 3.52Å; K160-L164 VanDerWaalsContact O-CG 3.31Å; K160-L164 WeakPolarHBondContact O-CG 3.48Å; K160-L164 PolarHBondContact O-N 2.78Å; I161-L164 PolarHBondContact O-N 3.41Å; L164-A166 VanDerWaalsContact C-N 3.34Å; L164-F167 HydrophobicContact CD2-CD2 4.03Å; L164-F167 HydrophobicContact CD2-CE2 4.37Å; L164-F167 PolarHBondContact O-N 3.26Å; L164-Q168 WeakPolarHBondContact O-CG 3.42Å; L164-Q168 PolarHBondContact O-N 3.48Å; L164-V218 HydrophobicContact CD2-CG1 4.31Å; L164-Y221 HydrophobicContact CD1-CD1 3.54Å; L164-Y221 HydrophobicContact CD1-CE1 3.9Å; L164-Y221 HydrophobicContact CD1-CG 4.16Å; L164-Y221 HydrophobicContact CD2-CD1 3.8Å; L164-Y221 HydrophobicContact CD2-CE1 4.4Å; L164-Y221 HydrophobicContact CG-CD1 4.24Å; L164-Y222 HydrophobicContact CB-CD2 3.96Å; L164-L225 HydrophobicContact CD1-CD1 3.85Å
165R93.4Very high93.5Very high135 Ų13569 Ų6951%0.50934%0.341SS..Hα-helixtrans-67.5-32.5169.6-71.8178.7-178.2168.43.3112.7I161 K162 Q163 Q168 Q169 Y222I161-R165 WeakPolarHBondContact O-CG 3.49Å; I161-R165 PolarHBondContact O-N 3.04Å; I161-R165 VanDerWaalsContact O-N 3.16Å; K162-R165 PolarHBondContact O-N 3.3Å; Q163-R165 VanDerWaalsContact C-N 3.29Å; Q163-R165 PolarHBondContact O-N 3.26Å; R165-Q168 PolarHBondContact O-N 2.96Å; R165-Q169 PolarHBondContact O-N 3.38Å; R165-Y222 HydrophobicContact CG-CE2 3.75Å; R165-Y222 PolarHBondContact NE-OH 2.98Å; R165-Y222 PolarHBondContact NH2-OH 3.47Å; R165-Y222 VanDerWaalsContact NH2-OH 3.1Å
166A94.4Very high93.8Very high46 Ų4669.3 Ų69.338%0.3835%0.349SS..Hα-helixtrans-64.9-45.2172.400000110.9K162 Q163 L164 Q168 Q169 E170K162-A166 PolarHBondContact O-N 2.95Å; Q163-A166 WeakPolarHBondContact O-CA 3.47Å; Q163-A166 VanDerWaalsContact O-CB 3.29Å; Q163-A166 WeakPolarHBondContact O-CB 3.44Å; Q163-A166 PolarHBondContact O-N 3.43Å; L164-A166 VanDerWaalsContact C-N 3.34Å; A166-Q168 PolarHBondContact O-N 3.33Å; A166-Q169 CarbonylContact O-C 3.58Å; A166-Q169 WeakPolarHBondContact O-CA 3.46Å; A166-Q169 WeakPolarHBondContact O-CB 3.47Å; A166-Q169 PolarHBondContact O-N 3.49Å; A166-Q169 VanDerWaalsContact O-N 3.08Å; A166-E170 PolarHBondContact O-N 2.89Å
167F96.8Very high94Very high8 Ų870.2 Ų70.24%0.03535%0.348CS..Hα-helixtrans-60.2-42.2173.6-62.9-15000112.7M142 Q145 L146 I149 Q163 L164 Q169 E170 I171 V218M142-F167 HydrophobicContact CG-CD1 4.42Å; M142-F167 HydrophobicContact CG-CD2 4.39Å; M142-F167 HydrophobicContact CG-CG 4.26Å; M142-F167 HydrophobicContact SD-CB 4.05Å; M142-F167 HydrophobicContact SD-CG 4.27Å; Q145-F167 HydrophobicContact CB-CE1 4.3Å; Q145-F167 HydrophobicContact CB-CZ 3.7Å; L146-F167 HydrophobicContact CB-CE2 4Å; L146-F167 HydrophobicContact CD1-CD2 4.35Å; L146-F167 HydrophobicContact CD1-CE2 4.16Å; I149-F167 HydrophobicContact CD1-CE2 3.63Å; I149-F167 HydrophobicContact CD1-CZ 3.52Å; Q163-F167 PolarHBondContact O-N 2.87Å; Q163-F167 VanDerWaalsContact O-N 3.12Å; L164-F167 HydrophobicContact CD2-CD2 4.03Å; L164-F167 HydrophobicContact CD2-CE2 4.37Å; L164-F167 PolarHBondContact O-N 3.26Å; F167-Q169 VanDerWaalsContact C-N 3.27Å; F167-Q169 PolarHBondContact O-N 3.24Å; F167-E170 PolarHBondContact O-N 3.31Å; F167-I171 WeakPolarHBondContact O-CB 3.29Å; F167-I171 WeakPolarHBondContact O-CD1 3.27Å; F167-I171 WeakPolarHBondContact O-CG1 3.36Å; F167-I171 PolarHBondContact O-N 2.99Å; F167-V218 HydrophobicContact CB-CG1 3.97Å; F167-V218 HydrophobicContact CB-CG2 4.32Å; F167-V218 HydrophobicContact CD2-CG1 4.5Å; F167-V218 HydrophobicContact CD2-CG2 4.15Å
168Q95.2Very high94.3Very high65 Ų6567.8 Ų67.830%0.30433%0.332SS..Hα-helixtrans-58.3-39.5174-73.2169-23.500112L164 R165 A166 Y172 V218L164-Q168 WeakPolarHBondContact O-CG 3.42Å; L164-Q168 PolarHBondContact O-N 3.48Å; R165-Q168 PolarHBondContact O-N 2.96Å; A166-Q168 PolarHBondContact O-N 3.33Å; Q168-Y172 PolarHBondContact O-N 2.86Å; Q168-Y172 VanDerWaalsContact O-N 3.15Å; Q168-V218 HydrophobicContact CG-CG1 4.13Å
169Q94.9Very high94.5Very high102 Ų10266.7 Ų66.748%0.47733%0.327SS..Hα-helixtrans-70.9-38.1175.9-17459.568.600112.9R165 A166 F167 Y172 L173R165-Q169 PolarHBondContact O-N 3.38Å; A166-Q169 CarbonylContact O-C 3.58Å; A166-Q169 WeakPolarHBondContact O-CA 3.46Å; A166-Q169 WeakPolarHBondContact O-CB 3.47Å; A166-Q169 PolarHBondContact O-N 3.49Å; A166-Q169 VanDerWaalsContact O-N 3.08Å; F167-Q169 VanDerWaalsContact C-N 3.27Å; F167-Q169 PolarHBondContact O-N 3.24Å; Q169-Y172 PolarHBondContact O-N 3Å; Q169-L173 HydrophobicContact CG-CD1 4.26Å; Q169-L173 VanDerWaalsContact O-CG 3.27Å; Q169-L173 WeakPolarHBondContact O-CG 3.32Å; Q169-L173 PolarHBondContact O-N 3.09Å
170E95.5Very high94.7Very high78 Ų7868.7 Ų68.736%0.36433%0.333SS..Hα-helixtrans-68.8-38.2175.8-75.7-177.5-129.900112.6W138 A166 F167 L173 N174W138-E170 HydrophobicContact CZ2-CB 4.46Å; A166-E170 PolarHBondContact O-N 2.89Å; F167-E170 PolarHBondContact O-N 3.31Å; E170-L173 PolarHBondContact O-N 3.48Å; E170-N174 PolarHBondContact O-N 3.31Å; E170-N174 VanDerWaalsContact O-N 3.08Å; E170-N174 PolarHBondContact O-ND2 2.89Å
171I96.3Very high94.9Very high23 Ų2367.8 Ų67.812%0.11833%0.329CS..Hα-helixtrans-58.1-53.8171.4-69.4163.3000109W138 M142 F167 L173 N174 T175 F215 V218W138-I171 HydrophobicContact CH2-CB 4.5Å; W138-I171 HydrophobicContact CH2-CG1 4.01Å; W138-I171 HydrophobicContact CZ2-CG1 4.22Å; M142-I171 HydrophobicContact CE-CD1 4.22Å; M142-I171 HydrophobicContact CE-CG1 3.81Å; M142-I171 HydrophobicContact SD-CD1 4.02Å; M142-I171 HydrophobicContact SD-CG1 3.85Å; F167-I171 WeakPolarHBondContact O-CB 3.29Å; F167-I171 WeakPolarHBondContact O-CD1 3.27Å; F167-I171 WeakPolarHBondContact O-CG1 3.36Å; F167-I171 PolarHBondContact O-N 2.99Å; I171-L173 VanDerWaalsContact C-N 3.31Å; I171-L173 PolarHBondContact O-N 3.29Å; I171-N174 PolarHBondContact O-N 3.14Å; I171-T175 PolarHBondContact O-N 3.14Å; I171-T175 PolarHBondContact O-OG1 2.83Å; I171-F215 HydrophobicContact CD1-CB 4.3Å; I171-F215 HydrophobicContact CD1-CD1 3.61Å; I171-F215 HydrophobicContact CD1-CE1 4.23Å; I171-F215 HydrophobicContact CD1-CG 4.06Å; I171-F215 HydrophobicContact CG1-CD1 3.72Å; I171-F215 HydrophobicContact CG1-CE1 3.8Å; I171-F215 HydrophobicContact CG1-CG 4.38Å; I171-F215 HydrophobicContact CG1-CZ 4.49Å; I171-F215 HydrophobicContact CG2-CD1 4.19Å; I171-F215 HydrophobicContact CG2-CD2 4.05Å; I171-F215 HydrophobicContact CG2-CE1 4.17Å; I171-F215 HydrophobicContact CG2-CE2 4.02Å; I171-F215 HydrophobicContact CG2-CG 4.15Å; I171-F215 HydrophobicContact CG2-CZ 4.08Å; I171-V218 HydrophobicContact CD1-CB 4.48Å; I171-V218 HydrophobicContact CD1-CG2 4.31Å
172Y95.1Very high95.1Very high166 Ų16668.9 Ų68.965%0.65133%0.334SS*.Hα-helixtrans-54.3-43.5177.7176-92.8000113.2Q168 Q169 N174Q168-Y172 PolarHBondContact O-N 2.86Å; Q168-Y172 VanDerWaalsContact O-N 3.15Å; Q169-Y172 PolarHBondContact O-N 3Å; Y172-N174 VanDerWaalsContact C-N 3.3Å; Y172-N174 PolarHBondContact O-N 3.09Å
173L94.6Very high95.2Very high111 Ų11167 Ų6758%0.58132%0.322SS*.Hα-helixtrans-70-23.1179.4-71.2170.3000113.8Q169 E170 I171Q169-L173 HydrophobicContact CG-CD1 4.26Å; Q169-L173 VanDerWaalsContact O-CG 3.27Å; Q169-L173 WeakPolarHBondContact O-CG 3.32Å; Q169-L173 PolarHBondContact O-N 3.09Å; E170-L173 PolarHBondContact O-N 3.48Å; I171-L173 VanDerWaalsContact C-N 3.31Å; I171-L173 PolarHBondContact O-N 3.29Å
174N94.7Very high95.3Very high22 Ų2266.1 Ų66.112%0.11832%0.318CS..Hα-helixtrans-99.4-15.5178.8-71-70.4000114W138 E170 I171 Y172 A176 K177 I178W138-N174 HydrophobicContact CH2-CB 4.05Å; W138-N174 HydrophobicContact CZ2-CB 4.11Å; W138-N174 HydrophobicContact CZ3-CB 4.32Å; E170-N174 PolarHBondContact O-N 3.31Å; E170-N174 VanDerWaalsContact O-N 3.08Å; E170-N174 PolarHBondContact O-ND2 2.89Å; I171-N174 PolarHBondContact O-N 3.14Å; Y172-N174 VanDerWaalsContact C-N 3.3Å; Y172-N174 PolarHBondContact O-N 3.09Å; N174-A176 VanDerWaalsContact C-N 3.28Å; N174-A176 PolarHBondContact O-N 3.04Å; N174-A176 VanDerWaalsContact O-N 3.14Å; N174-K177 WeakPolarHBondContact O-CA 3.46Å; N174-K177 WeakPolarHBondContact O-CB 3.36Å; N174-K177 PolarHBondContact O-N 3.08Å; N174-K177 WeakPolarHBondContact OD1-CD 3.13Å; N174-K177 WeakPolarHBondContact OD1-CE 3.41Å; N174-K177 PolarHBondContact OD1-NZ 3.42Å; N174-I178 WeakPolarHBondContact O-CG1 3.48Å; N174-I178 PolarHBondContact O-N 3.28Å; N174-I178 VanDerWaalsContact O-N 3.14Å
175T94.9Very high95.4Very high38 Ų3866.1 Ų66.123%0.23332%0.318CS..Hα-helixtrans-45.4-48.2178.6-59.60000113.1I171 K177 I178 E179I171-T175 PolarHBondContact O-N 3.14Å; I171-T175 PolarHBondContact O-OG1 2.83Å; T175-K177 VanDerWaalsContact C-N 3.26Å; T175-K177 PolarHBondContact O-N 2.92Å; T175-I178 WeakPolarHBondContact O-CB 3.34Å; T175-I178 PolarHBondContact O-N 3.38Å; T175-I178 VanDerWaalsContact O-N 3.09Å; T175-E179 HydrophobicContact CG2-CG 4.4Å; T175-E179 WeakPolarHBondContact O-CG 3.32Å; T175-E179 PolarHBondContact O-N 3.12Å
176A94.8Very high95.5Very high66 Ų6665.3 Ų65.355%0.54532%0.32SS..Hα-helixtrans-64.7-25.1-17900000114.3N174 L180N174-A176 VanDerWaalsContact C-N 3.28Å; N174-A176 PolarHBondContact O-N 3.04Å; N174-A176 VanDerWaalsContact O-N 3.14Å; A176-L180 PolarHBondContact O-N 3.35Å
177K94.4Very high95.5Very high116 Ų11665.1 Ų65.150%0.50432%0.319SS..Hα-helixtrans-77-40.9172.1-56.9177.8-171.6163.90110.9I135 N174 T175 L180 V181I135-K177 HydrophobicContact CD1-CB 4.12Å; N174-K177 WeakPolarHBondContact O-CA 3.46Å; N174-K177 WeakPolarHBondContact O-CB 3.36Å; N174-K177 PolarHBondContact O-N 3.08Å; N174-K177 WeakPolarHBondContact OD1-CD 3.13Å; N174-K177 WeakPolarHBondContact OD1-CE 3.41Å; N174-K177 PolarHBondContact OD1-NZ 3.42Å; T175-K177 VanDerWaalsContact C-N 3.26Å; T175-K177 PolarHBondContact O-N 2.92Å; K177-L180 WeakPolarHBondContact O-CA 3.43Å; K177-L180 WeakPolarHBondContact O-CB 3.49Å; K177-L180 PolarHBondContact O-N 3.01Å; K177-L180 VanDerWaalsContact O-N 3.09Å; K177-V181 PolarHBondContact O-N 3.28Å
178I95.4Very high95.3Very high13 Ų1365.3 Ų65.37%0.06732%0.32CS..Hα-helixtrans-62.4-48.4178.3-60.5169.7000109.5I135 W138 N174 T175 L180 V181 F182 F215I135-I178 HydrophobicContact CD1-CG1 3.89Å; I135-I178 HydrophobicContact CG1-CG1 4.29Å; I135-I178 HydrophobicContact CG2-CD1 4.46Å; I135-I178 HydrophobicContact CG2-CG1 3.95Å; W138-I178 HydrophobicContact CH2-CD1 4.36Å; W138-I178 HydrophobicContact CZ3-CD1 3.82Å; N174-I178 WeakPolarHBondContact O-CG1 3.48Å; N174-I178 PolarHBondContact O-N 3.28Å; N174-I178 VanDerWaalsContact O-N 3.14Å; T175-I178 WeakPolarHBondContact O-CB 3.34Å; T175-I178 PolarHBondContact O-N 3.38Å; T175-I178 VanDerWaalsContact O-N 3.09Å; I178-L180 PolarHBondContact O-N 2.84Å; I178-V181 PolarHBondContact O-N 3.08Å; I178-V181 VanDerWaalsContact O-N 3.14Å; I178-F182 HydrophobicContact CG2-CD2 3.85Å; I178-F182 HydrophobicContact CG2-CE2 3.57Å; I178-F182 VanDerWaalsContact O-CD2 3.23Å; I178-F182 WeakPolarHBondContact O-CD2 3.49Å; I178-F182 PolarHBondContact O-N 3.32Å; I178-F215 HydrophobicContact CD1-CE2 4.28Å; I178-F215 HydrophobicContact CD1-CZ 3.73Å
179E96.1Very high95.2Very high103 Ų10364.5 Ų64.548%0.48132%0.317SS..Hα-helixtrans-58.5-30.9172.3-71.2177.8-172.700113.4T175 R183T175-E179 HydrophobicContact CG2-CG 4.4Å; T175-E179 WeakPolarHBondContact O-CG 3.32Å; T175-E179 PolarHBondContact O-N 3.12Å; E179-R183 WeakPolarHBondContact O-CB 3.44Å; E179-R183 WeakPolarHBondContact O-CG 3.02Å; E179-R183 PolarHBondContact O-N 3.31Å; E179-R183 VanDerWaalsContact O-N 3.09Å; E179-R183 PolarHBondContact O-NE 3.01Å; E179-R183 VanDerWaalsContact O-NE 3.13Å
180L95.1Very high95.1Very high76 Ų7667 Ų6740%0.39833%0.329SS..Hα-helixtrans-70-44.2175.2-179.262.3000111.3A176 K177 I178 R183 Q184A176-L180 PolarHBondContact O-N 3.35Å; K177-L180 WeakPolarHBondContact O-CA 3.43Å; K177-L180 WeakPolarHBondContact O-CB 3.49Å; K177-L180 PolarHBondContact O-N 3.01Å; K177-L180 VanDerWaalsContact O-N 3.09Å; I178-L180 PolarHBondContact O-N 2.84Å; L180-R183 PolarHBondContact O-N 3.16Å; L180-Q184 HydrophobicContact CD1-CG 4.26Å; L180-Q184 HydrophobicContact CG-CG 4.44Å; L180-Q184 WeakPolarHBondContact O-CB 3.41Å; L180-Q184 VanDerWaalsContact O-CG 3.27Å; L180-Q184 WeakPolarHBondContact O-CG 3.29Å; L180-Q184 PolarHBondContact O-N 3.45Å; L180-Q184 PolarHBondContact O-OE1 3.31Å
181V96.8Very high94.7Very high4 Ų468.9 Ų68.92%0.02434%0.336CS..Hα-helixtrans-59.2-46.91751740000110.9F128 A131 R132 I135 K177 I178 Q184 G185 L207F128-V181 HydrophobicContact CD2-CG1 4.23Å; F128-V181 HydrophobicContact CE2-CG1 3.78Å; F128-V181 WeakPolarHBondContact CE2-O 3.5Å; A131-V181 HydrophobicContact CB-CG2 3.81Å; R132-V181 HydrophobicContact CB-CG1 4.03Å; I135-V181 HydrophobicContact CG1-CG2 4.14Å; K177-V181 PolarHBondContact O-N 3.28Å; I178-V181 PolarHBondContact O-N 3.08Å; I178-V181 VanDerWaalsContact O-N 3.14Å; V181-Q184 PolarHBondContact O-N 3Å; V181-G185 PolarHBondContact O-N 3.32Å; V181-L207 HydrophobicContact CG1-CD2 3.9Å
182F96.9Very high94.4Very high37 Ų3768.7 Ų68.716%0.16234%0.336CS..Hα-helixtrans-58.6-51.2176.1-79.2-69.7000112I178 Q184 G185 E186 L204 L207 Q208I178-F182 HydrophobicContact CG2-CD2 3.85Å; I178-F182 HydrophobicContact CG2-CE2 3.57Å; I178-F182 VanDerWaalsContact O-CD2 3.23Å; I178-F182 WeakPolarHBondContact O-CD2 3.49Å; I178-F182 PolarHBondContact O-N 3.32Å; F182-Q184 VanDerWaalsContact C-N 3.28Å; F182-Q184 PolarHBondContact O-N 3.12Å; F182-G185 PolarHBondContact O-N 3.33Å; F182-G185 VanDerWaalsContact O-N 3.15Å; F182-E186 WeakPolarHBondContact O-CG 3.46Å; F182-E186 PolarHBondContact O-N 2.84Å; F182-L204 HydrophobicContact CD1-CB 4.4Å; F182-L204 HydrophobicContact CD1-CD1 4.45Å; F182-L204 HydrophobicContact CD1-CD2 3.71Å; F182-L204 HydrophobicContact CD1-CG 4.41Å; F182-L204 HydrophobicContact CE1-CB 4.15Å; F182-L204 HydrophobicContact CE1-CD2 3.91Å; F182-L204 WeakPolarHBondContact CE1-O 3.47Å; F182-L207 HydrophobicContact CE2-CD2 4.37Å; F182-L207 HydrophobicContact CZ-CB 4.44Å; F182-L207 HydrophobicContact CZ-CD2 4.14Å; F182-L207 HydrophobicContact CZ-CG 4.07Å; F182-Q208 HydrophobicContact CE1-CB 3.85Å; F182-Q208 HydrophobicContact CE1-CG 4.26Å; F182-Q208 HydrophobicContact CZ-CB 3.64Å; F182-Q208 HydrophobicContact CZ-CG 3.98Å
183R96.5Very high94.1Very high123 Ų12364.1 Ų64.146%0.46432%0.321SS..Hα-helixtrans-64-29.4178.2-73.6-179.1-73.797.2-2.5113.6E179 L180 A187E179-R183 WeakPolarHBondContact O-CB 3.44Å; E179-R183 WeakPolarHBondContact O-CG 3.02Å; E179-R183 PolarHBondContact O-N 3.31Å; E179-R183 VanDerWaalsContact O-N 3.09Å; E179-R183 PolarHBondContact O-NE 3.01Å; E179-R183 VanDerWaalsContact O-NE 3.13Å; L180-R183 PolarHBondContact O-N 3.16Å; R183-A187 WeakPolarHBondContact O-CB 3.46Å; R183-A187 PolarHBondContact O-N 2.88Å
184Q94.9Very high94Very high57 Ų5763.5 Ų63.527%0.26632%0.324SS..Hα-helixtrans-70-45.4172.7-77.7172.3-52.200111.1F128 L180 V181 F182 A187 L188F128-Q184 HydrophobicContact CD2-CB 4.11Å; L180-Q184 HydrophobicContact CD1-CG 4.26Å; L180-Q184 HydrophobicContact CG-CG 4.44Å; L180-Q184 WeakPolarHBondContact O-CB 3.41Å; L180-Q184 VanDerWaalsContact O-CG 3.27Å; L180-Q184 WeakPolarHBondContact O-CG 3.29Å; L180-Q184 PolarHBondContact O-N 3.45Å; L180-Q184 PolarHBondContact O-OE1 3.31Å; V181-Q184 PolarHBondContact O-N 3Å; F182-Q184 VanDerWaalsContact C-N 3.28Å; F182-Q184 PolarHBondContact O-N 3.12Å; Q184-A187 PolarHBondContact O-N 3.46Å; Q184-L188 WeakPolarHBondContact O-CG 3Å; Q184-L188 PolarHBondContact O-N 3.29Å
185G96.5Very high93.7Very high0 Ų068.5 Ų68.50%035%0.35CS..Hα-helixtrans-63.8-47.3177.100000112.7V181 F182 A187 L188 I189V181-G185 PolarHBondContact O-N 3.32Å; F182-G185 PolarHBondContact O-N 3.33Å; F182-G185 VanDerWaalsContact O-N 3.15Å; G185-A187 VanDerWaalsContact C-N 3.3Å; G185-A187 PolarHBondContact O-N 3.19Å; G185-L188 WeakPolarHBondContact O-CA 3.38Å; G185-L188 WeakPolarHBondContact O-CB 3.28Å; G185-L188 PolarHBondContact O-N 2.85Å; G185-I189 WeakPolarHBondContact O-CG1 3.4Å; G185-I189 PolarHBondContact O-N 2.95Å
186E95.1Very high93.6Very high118 Ų11868.1 Ų68.155%0.55135%0.346SS*.Hα-helixtrans-53.9-46.4172.2-71.5174.4160.400111.8F182 L188 I189 E190F182-E186 WeakPolarHBondContact O-CG 3.46Å; F182-E186 PolarHBondContact O-N 2.84Å; E186-L188 VanDerWaalsContact C-N 3.26Å; E186-L188 PolarHBondContact O-N 2.97Å; E186-I189 PolarHBondContact O-N 2.91Å; E186-E190 PolarHBondContact O-N 3.34Å
187A94.1Very high93.5Very high42 Ų4265.5 Ų65.535%0.34733%0.325SS..Hα-helixtrans-70.7-18.317900000113.8R183 Q184 G185 K191R183-A187 WeakPolarHBondContact O-CB 3.46Å; R183-A187 PolarHBondContact O-N 2.88Å; Q184-A187 PolarHBondContact O-N 3.46Å; G185-A187 VanDerWaalsContact C-N 3.3Å; G185-A187 PolarHBondContact O-N 3.19Å; A187-K191 WeakPolarHBondContact O-CD 3.4Å; A187-K191 WeakPolarHBondContact O-CG 3.47Å; A187-K191 PolarHBondContact O-NZ 2.96Å
188L93.7Very high93.4Very high12 Ų1262.2 Ų62.26%0.06332%0.319CS..Hα-helixtrans-84-39.4169.5-75.8169000111.9Q124 F128 Q184 G185 E186 E190 K191 S192 I200Q124-L188 HydrophobicContact CB-CD2 4.02Å; F128-L188 HydrophobicContact CB-CD1 3.49Å; F128-L188 VanDerWaalsContact CB-CD1 3.49Å; F128-L188 HydrophobicContact CD1-CD1 4.08Å; F128-L188 HydrophobicContact CD2-CD1 4.39Å; F128-L188 HydrophobicContact CG-CD1 3.72Å; Q184-L188 WeakPolarHBondContact O-CG 3Å; Q184-L188 PolarHBondContact O-N 3.29Å; G185-L188 WeakPolarHBondContact O-CA 3.38Å; G185-L188 WeakPolarHBondContact O-CB 3.28Å; G185-L188 PolarHBondContact O-N 2.85Å; E186-L188 VanDerWaalsContact C-N 3.26Å; E186-L188 PolarHBondContact O-N 2.97Å; L188-E190 VanDerWaalsContact C-N 3.3Å; L188-E190 PolarHBondContact O-N 3.4Å; L188-K191 CarbonylContact O-C 3.59Å; L188-K191 PolarHBondContact O-N 3.33Å; L188-S192 VanDerWaalsContact O-CB 3.27Å; L188-S192 WeakPolarHBondContact O-CB 3.49Å; L188-S192 PolarHBondContact O-N 2.66Å; L188-S192 PolarHBondContact O-OG 2.73Å; L188-I200 HydrophobicContact CB-CD1 3.56Å; L188-I200 HydrophobicContact CD1-CD1 4.41Å
189I93.7Very high93.4Very high47 Ų4764.9 Ų64.924%0.24134%0.336CS..Hα-helixtrans-56.3-44.6176.3-72.5165.3000110.6G185 E186 K191 A197 I200 E201 L204G185-I189 WeakPolarHBondContact O-CG1 3.4Å; G185-I189 PolarHBondContact O-N 2.95Å; E186-I189 PolarHBondContact O-N 2.91Å; I189-K191 PolarHBondContact O-N 3.31Å; I189-K191 VanDerWaalsContact O-N 3.16Å; I189-A197 HydrophobicContact CG2-CB 4.33Å; I189-I200 HydrophobicContact CD1-CB 4.16Å; I189-I200 HydrophobicContact CD1-CG2 4.23Å; I189-I200 HydrophobicContact CG1-CB 3.69Å; I189-I200 HydrophobicContact CG1-CG1 4.4Å; I189-I200 HydrophobicContact CG1-CG2 3.99Å; I189-E201 HydrophobicContact CD1-CB 4.05Å; I189-L204 HydrophobicContact CD1-CD1 3.9Å
190E92.1Very high93.3Very high156 Ų15660 Ų6073%0.72931%0.313SS*.THydrogen-bonded Turntrans-59.7-25176.6-169.6-164-152.500113.9E186 L188E186-E190 PolarHBondContact O-N 3.34Å; L188-E190 VanDerWaalsContact C-N 3.3Å; L188-E190 PolarHBondContact O-N 3.4Å
191K87.1Confident93.3Very high116 Ų11661.7 Ų61.750%0.50432%0.319SS..THydrogen-bonded Turntrans-117.7-7-167.1-60.8177.1-168.760.60114.3A187 L188 I189A187-K191 WeakPolarHBondContact O-CD 3.4Å; A187-K191 WeakPolarHBondContact O-CG 3.47Å; A187-K191 PolarHBondContact O-NZ 2.96Å; L188-K191 CarbonylContact O-C 3.59Å; L188-K191 PolarHBondContact O-N 3.33Å; I189-K191 PolarHBondContact O-N 3.31Å; I189-K191 VanDerWaalsContact O-N 3.16Å
192S89.5Confident93.3Very high19 Ų1967.8 Ų67.813%0.13335%0.347CS..SBendtrans-92.2163.2-179.6-61.20000111.5L188L188-S192 VanDerWaalsContact O-CB 3.27Å; L188-S192 WeakPolarHBondContact O-CB 3.49Å; L188-S192 PolarHBondContact O-N 2.66Å; L188-S192 PolarHBondContact O-OG 2.73Å
193E90.1Very high93.2Very high70 Ų7068.1 Ų68.133%0.32735%0.349SS..  trans-68.7152170-80.8-63.1123.200111.1G44 V45 L46 L195 D196 A197G44-E193 WeakPolarHBondContact CA-OE1 3.43Å; V45-E193 VanDerWaalsContact C-CG 3.48Å; L46-E193 HydrophobicContact CD2-CB 3.77Å; E193-L195 PolarHBondContact O-N 2.84Å; E193-D196 PolarHBondContact O-N 3.39Å; E193-A197 WeakPolarHBondContact O-CB 3.21Å; E193-A197 PolarHBondContact O-N 2.99Å
194P90.8Very high93.2Very high98 Ų9863 Ų6364%0.63633%0.331SS*.Hα-helixtrans-58-24.6-170.6-28.436.1000116.2A198P194-A198 WeakPolarHBondContact O-CB 3.33Å; P194-A198 PolarHBondContact O-N 3.19Å
195L90.2Very high93.3Very high127 Ų12765.7 Ų65.767%0.66534%0.344SS*.Hα-helixtrans-77.9-42175.7-66.5172.6000112.2L46 E193 V199L46-L195 HydrophobicContact CD2-CB 3.83Å; L46-L195 HydrophobicContact CD2-CD1 4.23Å; E193-L195 PolarHBondContact O-N 2.84Å; L195-V199 PolarHBondContact O-N 3.46Å
196D92.3Very high93.3Very high30 Ų3070.9 Ų70.916%0.1637%0.368CS..Hα-helixtrans-66.9-45.6174.4-64.3-18.3000109.4L46 Y47 E193 A198 V199 I200L46-D196 WeakPolarHBondContact CA-OD2 3.19Å; L46-D196 WeakPolarHBondContact CD2-OD1 3.12Å; Y47-D196 PolarHBondContact N-OD2 3.11Å; E193-D196 PolarHBondContact O-N 3.39Å; D196-A198 VanDerWaalsContact C-N 3.29Å; D196-A198 PolarHBondContact O-N 3.06Å; D196-V199 WeakPolarHBondContact O-CA 3.5Å; D196-V199 WeakPolarHBondContact O-CB 3.27Å; D196-V199 PolarHBondContact O-N 2.98Å; D196-I200 WeakPolarHBondContact O-CG1 3.35Å; D196-I200 PolarHBondContact O-N 2.76Å
197A92.9Very high93.4Very high11 Ų1165.3 Ų65.39%0.09134%0.342CS..Hα-helixtrans-54.1-43.3179.800000112.4I189 E193 V199 I200 E201I189-A197 HydrophobicContact CG2-CB 4.33Å; E193-A197 WeakPolarHBondContact O-CB 3.21Å; E193-A197 PolarHBondContact O-N 2.99Å; A197-V199 VanDerWaalsContact C-N 3.33Å; A197-V199 PolarHBondContact O-N 3.42Å; A197-I200 PolarHBondContact O-N 3.19Å; A197-E201 WeakPolarHBondContact O-CB 3.34Å; A197-E201 PolarHBondContact O-N 3.44Å
198A92.6Very high93.6Very high48 Ų4868 Ų6840%0.39735%0.347SS..Hα-helixtrans-63.5-34.7175.800000113.1P194 D196 E201 E202P194-A198 WeakPolarHBondContact O-CB 3.33Å; P194-A198 PolarHBondContact O-N 3.19Å; D196-A198 VanDerWaalsContact C-N 3.29Å; D196-A198 PolarHBondContact O-N 3.06Å; A198-E201 PolarHBondContact O-N 3.22Å; A198-E202 WeakPolarHBondContact O-CB 3.44Å; A198-E202 PolarHBondContact O-N 3.21Å
199V93.6Very high93.8Very high68 Ų6872.4 Ų72.441%0.41236%0.363SS..Hα-helixtrans-68.7-40.6173.8175.80000110.8L195 D196 A197 E201 E202 E203L195-V199 PolarHBondContact O-N 3.46Å; D196-V199 WeakPolarHBondContact O-CA 3.5Å; D196-V199 WeakPolarHBondContact O-CB 3.27Å; D196-V199 PolarHBondContact O-N 2.98Å; A197-V199 VanDerWaalsContact C-N 3.33Å; A197-V199 PolarHBondContact O-N 3.42Å; V199-E201 VanDerWaalsContact C-N 3.31Å; V199-E201 PolarHBondContact O-N 3.38Å; V199-E202 PolarHBondContact O-N 2.98Å; V199-E203 HydrophobicContact CG1-CG 4.33Å; V199-E203 WeakPolarHBondContact O-CB 3.46Å; V199-E203 WeakPolarHBondContact O-CG 3.34Å; V199-E203 PolarHBondContact O-N 3.1Å
200I94.6Very high94Very high1 Ų172.7 Ų72.71%0.00536%0.361CS..Hα-helixtrans-63.9-39.7174.9-35-162.4000110.8F128 L188 I189 D196 A197 L204F128-I200 HydrophobicContact CD1-CG2 4.45Å; F128-I200 HydrophobicContact CE1-CG2 3.74Å; F128-I200 HydrophobicContact CZ-CG2 3.81Å; L188-I200 HydrophobicContact CB-CD1 3.56Å; L188-I200 HydrophobicContact CD1-CD1 4.41Å; I189-I200 HydrophobicContact CD1-CB 4.16Å; I189-I200 HydrophobicContact CD1-CG2 4.23Å; I189-I200 HydrophobicContact CG1-CB 3.69Å; I189-I200 HydrophobicContact CG1-CG1 4.4Å; I189-I200 HydrophobicContact CG1-CG2 3.99Å; D196-I200 WeakPolarHBondContact O-CG1 3.35Å; D196-I200 PolarHBondContact O-N 2.76Å; A197-I200 PolarHBondContact O-N 3.19Å; I200-L204 WeakPolarHBondContact O-CB 3.5Å; I200-L204 VanDerWaalsContact O-CG 3.29Å; I200-L204 WeakPolarHBondContact O-CG 3.42Å; I200-L204 PolarHBondContact O-N 2.65Å
201E96Very high94.2Very high112 Ų11265.6 Ų65.652%0.52333%0.329SS..Hα-helixtrans-63.4-46.1178.2-168.6168.7-147.300111.3I189 A197 A198 V199 L204 E205I189-E201 HydrophobicContact CD1-CB 4.05Å; A197-E201 WeakPolarHBondContact O-CB 3.34Å; A197-E201 PolarHBondContact O-N 3.44Å; A198-E201 PolarHBondContact O-N 3.22Å; V199-E201 VanDerWaalsContact C-N 3.31Å; V199-E201 PolarHBondContact O-N 3.38Å; E201-L204 PolarHBondContact O-N 2.8Å; E201-E205 PolarHBondContact O-N 2.8Å
202E95.6Very high94.7Very high131 Ų13165.9 Ų65.961%0.61233%0.332SS*.Hα-helixtrans-61.3-48.7174.6-172.2165.8-143.600111.8A198 V199 L204 E205 E206A198-E202 WeakPolarHBondContact O-CB 3.44Å; A198-E202 PolarHBondContact O-N 3.21Å; V199-E202 PolarHBondContact O-N 2.98Å; E202-L204 VanDerWaalsContact C-N 3.29Å; E202-L204 PolarHBondContact O-N 2.79Å; E202-E205 PolarHBondContact O-N 3.46Å; E202-E206 WeakPolarHBondContact O-CG 3.41Å; E202-E206 PolarHBondContact O-N 2.78Å
203E95.6Very high95Very high45 Ų4570.4 Ų70.421%0.2135%0.351CS..Hα-helixtrans-58.3-36.2176.3-72.1170.1154.900113.2R125 R132 V199 L207R125-E203 IonicContact CZ-OE1 3.74Å; R125-E203 IonicContact CZ-OE2 3.02Å; R125-E203 VanDerWaalsContact CZ-OE2 3.25Å; R125-E203 IonicContact NH1-OE2 2.71Å; R125-E203 PolarHBondContact NH1-OE2 2.87Å; R125-E203 VanDerWaalsContact NH2-CD 3.29Å; R125-E203 IonicContact NH2-OE1 3.42Å; R125-E203 PolarHBondContact NH2-OE1 2.79Å; R125-E203 IonicContact NH2-OE2 3.28Å; R125-E203 PolarHBondContact NH2-OE2 3.37Å; R132-E203 IonicContact CZ-OE1 3.56Å; R132-E203 IonicContact NH1-OE1 3.31Å; R132-E203 PolarHBondContact NH1-OE1 2.81Å; R132-E203 IonicContact NH1-OE2 3.93Å; R132-E203 PolarHBondContact NH1-OE2 2.96Å; R132-E203 VanDerWaalsContact NH1-OE2 3.13Å; V199-E203 HydrophobicContact CG1-CG 4.33Å; V199-E203 WeakPolarHBondContact O-CB 3.46Å; V199-E203 WeakPolarHBondContact O-CG 3.34Å; V199-E203 PolarHBondContact O-N 3.1Å; E203-L207 WeakPolarHBondContact O-CB 3.48Å; E203-L207 PolarHBondContact O-N 3.47Å
204L97.3Very high95.3Very high15 Ų1567.1 Ų67.18%0.07934%0.336CS..Hα-helixtrans-72.8-43.4175-75.1-177000112.2F128 F182 I189 I200 E201 E202 E206 L207 Q208F128-L204 HydrophobicContact CE2-CD2 3.78Å; F128-L204 HydrophobicContact CZ-CD2 3.79Å; F128-L204 HydrophobicContact CZ-CG 4.25Å; F182-L204 HydrophobicContact CD1-CB 4.4Å; F182-L204 HydrophobicContact CD1-CD1 4.45Å; F182-L204 HydrophobicContact CD1-CD2 3.71Å; F182-L204 HydrophobicContact CD1-CG 4.41Å; F182-L204 HydrophobicContact CE1-CB 4.15Å; F182-L204 HydrophobicContact CE1-CD2 3.91Å; F182-L204 WeakPolarHBondContact CE1-O 3.47Å; I189-L204 HydrophobicContact CD1-CD1 3.9Å; I200-L204 WeakPolarHBondContact O-CB 3.5Å; I200-L204 VanDerWaalsContact O-CG 3.29Å; I200-L204 WeakPolarHBondContact O-CG 3.42Å; I200-L204 PolarHBondContact O-N 2.65Å; E201-L204 PolarHBondContact O-N 2.8Å; E202-L204 VanDerWaalsContact C-N 3.29Å; E202-L204 PolarHBondContact O-N 2.79Å; L204-E206 VanDerWaalsContact C-N 3.3Å; L204-E206 PolarHBondContact O-N 3.05Å; L204-L207 PolarHBondContact O-N 2.99Å; L204-Q208 WeakPolarHBondContact O-CB 3.17Å; L204-Q208 PolarHBondContact O-N 2.84Å
205E96.7Very high95.6Very high113 Ų11364.9 Ų64.953%0.52832%0.316SS..Hα-helixtrans-60.6-40.1177.1-78.1-160175.700111.6E201 E202 Q208 R209E201-E205 PolarHBondContact O-N 2.8Å; E202-E205 PolarHBondContact O-N 3.46Å; E205-Q208 PolarHBondContact O-N 2.92Å; E205-R209 VanDerWaalsContact O-CB 3.3Å; E205-R209 WeakPolarHBondContact O-CB 3.45Å; E205-R209 PolarHBondContact O-N 3.5Å
206E96.8Very high95.9Very high109 Ų10959.6 Ų59.651%0.50929%0.293SS..Hα-helixtrans-66-46.8176.9-60.1-128.2112.600111.9E202 L204 Q208 R209 Y210E202-E206 WeakPolarHBondContact O-CG 3.41Å; E202-E206 PolarHBondContact O-N 2.78Å; L204-E206 VanDerWaalsContact C-N 3.3Å; L204-E206 PolarHBondContact O-N 3.05Å; E206-Q208 VanDerWaalsContact C-N 3.33Å; E206-Q208 PolarHBondContact O-N 2.96Å; E206-R209 WeakPolarHBondContact O-CB 3.29Å; E206-R209 PolarHBondContact O-N 3.11Å; E206-R209 IonicContact OE1-NH1 2.73Å; E206-R209 PolarHBondContact OE1-NH1 2.77Å; E206-Y210 PolarHBondContact O-N 3.33Å
207L97Very high96.1Very high2 Ų261.1 Ų61.11%0.0130%0.296CS..Hα-helixtrans-59.5-44.1174.9175.662.5000111.4R132 I135 L136 L139 V181 F182 E203 L204 R209 Y210 C211R132-L207 HydrophobicContact CG-CD2 4.19Å; I135-L207 HydrophobicContact CB-CD1 4.48Å; I135-L207 HydrophobicContact CG2-CD1 3.89Å; L136-L207 HydrophobicContact CD2-CD1 3.66Å; L136-L207 HydrophobicContact CG-CD1 4.12Å; L139-L207 HydrophobicContact CD1-CD1 3.72Å; V181-L207 HydrophobicContact CG1-CD2 3.9Å; F182-L207 HydrophobicContact CE2-CD2 4.37Å; F182-L207 HydrophobicContact CZ-CB 4.44Å; F182-L207 HydrophobicContact CZ-CD2 4.14Å; F182-L207 HydrophobicContact CZ-CG 4.07Å; E203-L207 WeakPolarHBondContact O-CB 3.48Å; E203-L207 PolarHBondContact O-N 3.47Å; L204-L207 PolarHBondContact O-N 2.99Å; L207-R209 VanDerWaalsContact C-N 3.33Å; L207-R209 PolarHBondContact O-N 2.8Å; L207-Y210 PolarHBondContact O-N 3.36Å; L207-C211 PolarHBondContact O-N 3.41Å; L207-C211 PolarHBondContact O-SG 3.26Å; L207-C211 VanDerWaalsContact O-SG 3.37Å
208Q97.8Very high96.3Very high97 Ų9760.6 Ų60.645%0.45329%0.292SS..Hα-helixtrans-63.2-41.7-179.5-161.1-173.24100111.5F182 L204 E205 E206 Q212F182-Q208 HydrophobicContact CE1-CB 3.85Å; F182-Q208 HydrophobicContact CE1-CG 4.26Å; F182-Q208 HydrophobicContact CZ-CB 3.64Å; F182-Q208 HydrophobicContact CZ-CG 3.98Å; L204-Q208 WeakPolarHBondContact O-CB 3.17Å; L204-Q208 PolarHBondContact O-N 2.84Å; E205-Q208 PolarHBondContact O-N 2.92Å; E206-Q208 VanDerWaalsContact C-N 3.33Å; E206-Q208 PolarHBondContact O-N 2.96Å; Q208-Q212 VanDerWaalsContact O-CG 3.32Å; Q208-Q212 WeakPolarHBondContact O-CG 3.47Å; Q208-Q212 PolarHBondContact O-N 3.26Å; Q208-Q212 VanDerWaalsContact O-N 3.11Å
209R97.3Very high96.4Very high105 Ų10560.6 Ų60.640%0.39629%0.286SS..Hα-helixtrans-60.9-48.3175.1-165.8-173.6-50.9132.47.8110.8E205 E206 L207 Q212 E213E205-R209 VanDerWaalsContact O-CB 3.3Å; E205-R209 WeakPolarHBondContact O-CB 3.45Å; E205-R209 PolarHBondContact O-N 3.5Å; E206-R209 WeakPolarHBondContact O-CB 3.29Å; E206-R209 PolarHBondContact O-N 3.11Å; E206-R209 IonicContact OE1-NH1 2.73Å; E206-R209 PolarHBondContact OE1-NH1 2.77Å; L207-R209 VanDerWaalsContact C-N 3.33Å; L207-R209 PolarHBondContact O-N 2.8Å; R209-Q212 PolarHBondContact O-N 3.3Å; R209-E213 WeakPolarHBondContact O-CG 3.43Å; R209-E213 PolarHBondContact O-N 3.1Å
210Y97.8Very high96.4Very high53 Ų5364.2 Ų64.221%0.20829%0.292CS..Hα-helixtrans-66.9-39.4-179-166.8-138.5000112.6L136 L139 D143 E206 L207 Q212 E213 V214L136-Y210 HydrophobicContact CD2-CD1 4.34Å; L139-Y210 HydrophobicContact CB-CD1 3.8Å; L139-Y210 HydrophobicContact CB-CE1 3.56Å; L139-Y210 HydrophobicContact CD1-CD1 3.8Å; L139-Y210 HydrophobicContact CD1-CE1 4.44Å; L139-Y210 HydrophobicContact CG-CD1 4.42Å; D143-Y210 WeakPolarHBondContact CB-OH 3.27Å; D143-Y210 PolarHBondContact OD2-OH 2.95Å; E206-Y210 PolarHBondContact O-N 3.33Å; L207-Y210 PolarHBondContact O-N 3.36Å; Y210-Q212 PolarHBondContact O-N 3.35Å; Y210-E213 PolarHBondContact O-N 3.36Å; Y210-V214 HydrophobicContact CD2-CG2 3.83Å; Y210-V214 HydrophobicContact CE1-CG2 4.41Å; Y210-V214 HydrophobicContact CE2-CG2 3.45Å; Y210-V214 VanDerWaalsContact CE2-CG2 3.45Å; Y210-V214 HydrophobicContact CG-CG2 4.42Å; Y210-V214 WeakPolarHBondContact O-CG2 3.38Å; Y210-V214 PolarHBondContact O-N 2.74Å
211C97.4Very high96.4Very high8 Ų865 Ų655%0.05430%0.295CS..Hα-helixtrans-53.8-50.6169-72.30000112L207 E213 F215L207-C211 PolarHBondContact O-N 3.41Å; L207-C211 PolarHBondContact O-SG 3.26Å; L207-C211 VanDerWaalsContact O-SG 3.37Å; C211-E213 VanDerWaalsContact C-N 3.35Å; C211-E213 PolarHBondContact O-N 3.01Å; C211-F215 HydrophobicContact CB-CD2 4.34Å; C211-F215 HydrophobicContact CB-CE2 3.9Å; C211-F215 HydrophobicContact CB-CZ 4.11Å; C211-F215 VanDerWaalsContact O-CB 3.27Å; C211-F215 WeakPolarHBondContact O-CB 3.45Å; C211-F215 WeakPolarHBondContact O-CD1 3.28Å; C211-F215 WeakPolarHBondContact O-CD2 3.31Å; C211-F215 WeakPolarHBondContact O-CG 3.4Å; C211-F215 PolarHBondContact O-N 3.45Å
212Q96.3Very high96.3Very high122 Ų12261.7 Ų61.757%0.5728%0.278SS*.Hα-helixtrans-64-38.1-178.9-71174.324.200112.6Q208 R209 Y210 G216Q208-Q212 VanDerWaalsContact O-CG 3.32Å; Q208-Q212 WeakPolarHBondContact O-CG 3.47Å; Q208-Q212 PolarHBondContact O-N 3.26Å; Q208-Q212 VanDerWaalsContact O-N 3.11Å; R209-Q212 PolarHBondContact O-N 3.3Å; Y210-Q212 PolarHBondContact O-N 3.35Å; Q212-G216 WeakPolarHBondContact O-CA 3.31Å; Q212-G216 PolarHBondContact O-N 3.45Å
213E96.5Very high96.1Very high113 Ų11359.6 Ų59.653%0.52827%0.267SS..Hα-helixtrans-66.6-50.5179-75.2-179.7-169.400112R209 Y210 C211 R217 R220R209-E213 WeakPolarHBondContact O-CG 3.43Å; R209-E213 PolarHBondContact O-N 3.1Å; Y210-E213 PolarHBondContact O-N 3.36Å; C211-E213 VanDerWaalsContact C-N 3.35Å; C211-E213 PolarHBondContact O-N 3.01Å; E213-R217 WeakPolarHBondContact O-CB 3.19Å; E213-R217 PolarHBondContact O-N 3.49Å; E213-R220 PolarHBondContact O-NH2 3.36Å
214V97.3Very high96Very high2 Ų263.9 Ų63.91%0.01229%0.285CS..Hα-helixtrans-68-52-179.5-179.40000111.2M142 D143 Y210 G216 R217 V218M142-V214 HydrophobicContact CE-CG1 3.96Å; M142-V214 HydrophobicContact CG-CG1 4.35Å; D143-V214 HydrophobicContact CB-CG1 4.23Å; D143-V214 HydrophobicContact CB-CG2 3.94Å; Y210-V214 HydrophobicContact CD2-CG2 3.83Å; Y210-V214 HydrophobicContact CE1-CG2 4.41Å; Y210-V214 HydrophobicContact CE2-CG2 3.45Å; Y210-V214 VanDerWaalsContact CE2-CG2 3.45Å; Y210-V214 HydrophobicContact CG-CG2 4.42Å; Y210-V214 WeakPolarHBondContact O-CG2 3.38Å; Y210-V214 PolarHBondContact O-N 2.74Å; V214-G216 VanDerWaalsContact C-N 3.31Å; V214-G216 PolarHBondContact O-N 2.77Å; V214-R217 WeakPolarHBondContact O-CA 3.43Å; V214-R217 WeakPolarHBondContact O-CB 3.22Å; V214-R217 PolarHBondContact O-N 3.24Å; V214-V218 PolarHBondContact O-N 2.75Å
215F97.3Very high95.6Very high50 Ų5064 Ų6422%0.21929%0.285CS..Hα-helixtrans-62.6-41.4-179.5-58-10000111W138 L139 M142 I171 I178 C211 R217 V218 D219W138-F215 AromaticContact CH2-CE1 3.68Å; W138-F215 HydrophobicContact CH2-CE1 3.68Å; W138-F215 AromaticContact CH2-CZ 3.94Å; W138-F215 HydrophobicContact CH2-CZ 3.94Å; W138-F215 AromaticContact CZ3-CE1 3.83Å; W138-F215 HydrophobicContact CZ3-CE1 3.83Å; W138-F215 AromaticContact CZ3-CZ 3.92Å; W138-F215 HydrophobicContact CZ3-CZ 3.92Å; L139-F215 HydrophobicContact CD2-CD1 4.35Å; L139-F215 HydrophobicContact CD2-CE1 3.48Å; L139-F215 VanDerWaalsContact CD2-CE1 3.48Å; L139-F215 HydrophobicContact CD2-CZ 3.98Å; M142-F215 HydrophobicContact CE-CD1 4.01Å; M142-F215 HydrophobicContact CE-CE1 3.74Å; I171-F215 HydrophobicContact CD1-CB 4.3Å; I171-F215 HydrophobicContact CD1-CD1 3.61Å; I171-F215 HydrophobicContact CD1-CE1 4.23Å; I171-F215 HydrophobicContact CD1-CG 4.06Å; I171-F215 HydrophobicContact CG1-CD1 3.72Å; I171-F215 HydrophobicContact CG1-CE1 3.8Å; I171-F215 HydrophobicContact CG1-CG 4.38Å; I171-F215 HydrophobicContact CG1-CZ 4.49Å; I171-F215 HydrophobicContact CG2-CD1 4.19Å; I171-F215 HydrophobicContact CG2-CD2 4.05Å; I171-F215 HydrophobicContact CG2-CE1 4.17Å; I171-F215 HydrophobicContact CG2-CE2 4.02Å; I171-F215 HydrophobicContact CG2-CG 4.15Å; I171-F215 HydrophobicContact CG2-CZ 4.08Å; I178-F215 HydrophobicContact CD1-CE2 4.28Å; I178-F215 HydrophobicContact CD1-CZ 3.73Å; C211-F215 HydrophobicContact CB-CD2 4.34Å; C211-F215 HydrophobicContact CB-CE2 3.9Å; C211-F215 HydrophobicContact CB-CZ 4.11Å; C211-F215 VanDerWaalsContact O-CB 3.27Å; C211-F215 WeakPolarHBondContact O-CB 3.45Å; C211-F215 WeakPolarHBondContact O-CD1 3.28Å; C211-F215 WeakPolarHBondContact O-CD2 3.31Å; C211-F215 WeakPolarHBondContact O-CG 3.4Å; C211-F215 PolarHBondContact O-N 3.45Å; F215-R217 PolarHBondContact O-N 2.93Å; F215-V218 PolarHBondContact O-N 3.41Å; F215-D219 PolarHBondContact O-N 3.2Å
216G94.9Very high95.1Very high17 Ų1762.1 Ų62.118%0.17528%0.282CS..Hα-helixtrans-62.6-30.3173.600000112.6Q212 V214 R220Q212-G216 WeakPolarHBondContact O-CA 3.31Å; Q212-G216 PolarHBondContact O-N 3.45Å; V214-G216 VanDerWaalsContact C-N 3.31Å; V214-G216 PolarHBondContact O-N 2.77Å; G216-R220 VanDerWaalsContact C-NH1 3.3Å; G216-R220 VanDerWaalsContact O-CB 3.27Å; G216-R220 WeakPolarHBondContact O-CB 3.47Å; G216-R220 WeakPolarHBondContact O-CG 3.36Å; G216-R220 PolarHBondContact O-N 3.46Å; G216-R220 PolarHBondContact O-NE 3.01Å; G216-R220 PolarHBondContact O-NH1 2.86Å
217R97Very high94.4Very high61 Ų6166.6 Ų66.623%0.2329%0.294CS..Hα-helixtrans-75.4-41.8176.8-156.9173.6105.6-147.7-3.6111.8D143 L146 T147 E150 E213 V214 F215 D219 R220 Y221D143-R217 IonicContact OD1-CZ 2.7Å; D143-R217 IonicContact OD1-NH1 3.58Å; D143-R217 PolarHBondContact OD1-NH1 3.35Å; D143-R217 IonicContact OD1-NH2 3.32Å; L146-R217 HydrophobicContact CD2-CB 3.8Å; L146-R217 HydrophobicContact CD2-CG 3.96Å; T147-R217 PolarHBondContact OG1-NH2 3.25Å; E150-R217 IonicContact OE1-CZ 2.93Å; E150-R217 IonicContact OE1-NE 3.36Å; E150-R217 PolarHBondContact OE1-NE 2.91Å; E150-R217 IonicContact OE1-NH2 3.47Å; E150-R217 PolarHBondContact OE1-NH2 3.04Å; E213-R217 WeakPolarHBondContact O-CB 3.19Å; E213-R217 PolarHBondContact O-N 3.49Å; V214-R217 WeakPolarHBondContact O-CA 3.43Å; V214-R217 WeakPolarHBondContact O-CB 3.22Å; V214-R217 PolarHBondContact O-N 3.24Å; F215-R217 PolarHBondContact O-N 2.93Å; R217-D219 VanDerWaalsContact C-N 3.33Å; R217-D219 PolarHBondContact O-N 2.78Å; R217-R220 PolarHBondContact O-N 2.9Å; R217-Y221 WeakPolarHBondContact O-CB 3.5Å; R217-Y221 PolarHBondContact O-N 3.09Å
218V96.7Very high92.8Very high1 Ų171.6 Ų71.61%0.00632%0.32CS..Hα-helixtrans-53.8-51170.1177.70000110.3L146 L164 F167 Q168 I171 V214 F215 Y221 Y222L146-V218 HydrophobicContact CD1-CG2 4.3Å; L146-V218 HydrophobicContact CD2-CG2 3.8Å; L164-V218 HydrophobicContact CD2-CG1 4.31Å; F167-V218 HydrophobicContact CB-CG1 3.97Å; F167-V218 HydrophobicContact CB-CG2 4.32Å; F167-V218 HydrophobicContact CD2-CG1 4.5Å; F167-V218 HydrophobicContact CD2-CG2 4.15Å; Q168-V218 HydrophobicContact CG-CG1 4.13Å; I171-V218 HydrophobicContact CD1-CB 4.48Å; I171-V218 HydrophobicContact CD1-CG2 4.31Å; V214-V218 PolarHBondContact O-N 2.75Å; F215-V218 PolarHBondContact O-N 3.41Å; V218-Y221 PolarHBondContact O-N 2.78Å; V218-Y222 VanDerWaalsContact O-CB 3.32Å; V218-Y222 WeakPolarHBondContact O-CB 3.38Å; V218-Y222 PolarHBondContact O-N 3.07Å
219D94.4Very high90.7Very high48 Ų4872.6 Ų72.626%0.25734%0.335SS..Hα-helixtrans-62.6-49.1179.7178.565.4000113F215 R217 Y221 Y222 K223F215-D219 PolarHBondContact O-N 3.2Å; R217-D219 VanDerWaalsContact C-N 3.33Å; R217-D219 PolarHBondContact O-N 2.78Å; D219-Y221 VanDerWaalsContact C-N 3.3Å; D219-Y221 PolarHBondContact O-N 3.03Å; D219-Y222 PolarHBondContact O-N 2.96Å; D219-K223 WeakPolarHBondContact O-CB 3.45Å; D219-K223 WeakPolarHBondContact O-CG 3.49Å; D219-K223 PolarHBondContact O-N 2.95Å; D219-K223 WeakPolarHBondContact OD1-CD 3.5Å; D219-K223 WeakPolarHBondContact OD1-CE 3.46Å; D219-K223 IonicContact OD1-NZ 2.74Å; D219-K223 PolarHBondContact OD1-NZ 3.28Å; D219-K223 WeakPolarHBondContact OD2-CD 3.3Å; D219-K223 IonicContact OD2-NZ 3.37Å; D219-K223 PolarHBondContact OD2-NZ 3.19Å
220R94.6Very high88.3Confident144 Ų14475.6 Ų75.654%0.54336%0.358SS..Hα-helixtrans-59.6-40.3177.6-75.4-179.9-56.6-97.74111.7E213 G216 R217 K224E213-R220 PolarHBondContact O-NH2 3.36Å; G216-R220 VanDerWaalsContact C-NH1 3.3Å; G216-R220 VanDerWaalsContact O-CB 3.27Å; G216-R220 WeakPolarHBondContact O-CB 3.47Å; G216-R220 WeakPolarHBondContact O-CG 3.36Å; G216-R220 PolarHBondContact O-N 3.46Å; G216-R220 PolarHBondContact O-NE 3.01Å; G216-R220 PolarHBondContact O-NH1 2.86Å; R217-R220 PolarHBondContact O-N 2.9Å; R220-K224 VanDerWaalsContact O-CB 3.31Å; R220-K224 WeakPolarHBondContact O-CB 3.27Å; R220-K224 PolarHBondContact O-N 3.2Å
221Y94.6Very high85.7Confident17 Ų1777.6 Ų77.67%0.06739%0.386CS..Hα-helixtrans-74.6-40.2-179.8-173.9-137.5000112.2L146 I149 E150 L164 R217 V218 D219 K223 K224 L225L146-Y221 HydrophobicContact CD1-CD1 3.98Å; I149-Y221 HydrophobicContact CG2-CE1 3.92Å; I149-Y221 PolarHBondContact O-OH 3.44Å; E150-Y221 HydrophobicContact CB-CE1 4.29Å; E150-Y221 HydrophobicContact CG-CD1 3.35Å; E150-Y221 HydrophobicContact CG-CD2 4Å; E150-Y221 HydrophobicContact CG-CE1 3.35Å; E150-Y221 HydrophobicContact CG-CE2 3.99Å; E150-Y221 HydrophobicContact CG-CG 3.71Å; L164-Y221 HydrophobicContact CD1-CD1 3.54Å; L164-Y221 HydrophobicContact CD1-CE1 3.9Å; L164-Y221 HydrophobicContact CD1-CG 4.16Å; L164-Y221 HydrophobicContact CD2-CD1 3.8Å; L164-Y221 HydrophobicContact CD2-CE1 4.4Å; L164-Y221 HydrophobicContact CG-CD1 4.24Å; R217-Y221 WeakPolarHBondContact O-CB 3.5Å; R217-Y221 PolarHBondContact O-N 3.09Å; V218-Y221 PolarHBondContact O-N 2.78Å; D219-Y221 VanDerWaalsContact C-N 3.3Å; D219-Y221 PolarHBondContact O-N 3.03Å; Y221-K223 PolarHBondContact O-N 3.39Å; Y221-K224 HydrophobicContact CD2-CD 4.26Å; Y221-K224 WeakPolarHBondContact O-CB 3.35Å; Y221-K224 PolarHBondContact O-N 3Å; Y221-K224 VanDerWaalsContact O-N 3.11Å; Y221-L225 HydrophobicContact CD2-CG 4.23Å; Y221-L225 HydrophobicContact CE1-CD1 4.15Å; Y221-L225 HydrophobicContact CE2-CD1 4.1Å; Y221-L225 HydrophobicContact CE2-CD2 3.78Å; Y221-L225 HydrophobicContact CE2-CG 3.82Å; Y221-L225 PolarHBondContact O-N 3.33Å
222Y93.4Very high83.1Confident43 Ų4384.1 Ų84.117%0.16942%0.42CS..Hα-helixtrans-58.4-47.7172.3-179.9-101.9000112.1I161 L164 R165 V218 D219 K224 L225 T226I161-Y222 HydrophobicContact CG2-CE2 3.98Å; L164-Y222 HydrophobicContact CB-CD2 3.96Å; R165-Y222 HydrophobicContact CG-CE2 3.75Å; R165-Y222 PolarHBondContact NE-OH 2.98Å; R165-Y222 PolarHBondContact NH2-OH 3.47Å; R165-Y222 VanDerWaalsContact NH2-OH 3.1Å; V218-Y222 VanDerWaalsContact O-CB 3.32Å; V218-Y222 WeakPolarHBondContact O-CB 3.38Å; V218-Y222 PolarHBondContact O-N 3.07Å; D219-Y222 PolarHBondContact O-N 2.96Å; Y222-K224 VanDerWaalsContact C-N 3.26Å; Y222-K224 PolarHBondContact O-N 3.28Å; Y222-L225 PolarHBondContact O-N 3.2Å; Y222-T226 WeakPolarHBondContact O-CB 3.38Å; Y222-T226 PolarHBondContact O-N 3.34Å; Y222-T226 PolarHBondContact O-OG1 3.45Å
223K91.9Very high80.4Confident87 Ų8786 Ų8638%0.37843%0.433SS..Hα-helixtrans-65.8-25.7175.8-76.7166.3174.7154.50112.8D219 Y221 R227D219-K223 WeakPolarHBondContact O-CB 3.45Å; D219-K223 WeakPolarHBondContact O-CG 3.49Å; D219-K223 PolarHBondContact O-N 2.95Å; D219-K223 WeakPolarHBondContact OD1-CD 3.5Å; D219-K223 WeakPolarHBondContact OD1-CE 3.46Å; D219-K223 IonicContact OD1-NZ 2.74Å; D219-K223 PolarHBondContact OD1-NZ 3.28Å; D219-K223 WeakPolarHBondContact OD2-CD 3.3Å; D219-K223 IonicContact OD2-NZ 3.37Å; D219-K223 PolarHBondContact OD2-NZ 3.19Å; Y221-K223 PolarHBondContact O-N 3.39Å; K223-R227 WeakPolarHBondContact O-CB 3.41Å; K223-R227 VanDerWaalsContact O-CD 3.24Å; K223-R227 WeakPolarHBondContact O-CD 3.29Å; K223-R227 WeakPolarHBondContact O-CG 3.48Å
224K93Very high78Confident135 Ų13588.3 Ų88.359%0.58745%0.445SS*.Hα-helixtrans-74-45.3174.5-179.9-176.4173.4-169.80111.8R220 Y221 Y222R220-K224 VanDerWaalsContact O-CB 3.31Å; R220-K224 WeakPolarHBondContact O-CB 3.27Å; R220-K224 PolarHBondContact O-N 3.2Å; Y221-K224 HydrophobicContact CD2-CD 4.26Å; Y221-K224 WeakPolarHBondContact O-CB 3.35Å; Y221-K224 PolarHBondContact O-N 3Å; Y221-K224 VanDerWaalsContact O-N 3.11Å; Y222-K224 VanDerWaalsContact C-N 3.26Å; Y222-K224 PolarHBondContact O-N 3.28Å
225L89.5Confident75.3Confident18 Ų1896.3 Ų96.39%0.09449%0.486CS..Hα-helixtrans-68.9-45.7178.7-65.6-174.7000112V157 K160 I161 L164 Y221 Y222 R227 L228V157-L225 HydrophobicContact CG1-CB 4.24Å; V157-L225 HydrophobicContact CG1-CD2 4.4Å; K160-L225 HydrophobicContact CB-CD1 3.69Å; I161-L225 HydrophobicContact CD1-CB 4.03Å; I161-L225 HydrophobicContact CG1-CB 3.75Å; I161-L225 HydrophobicContact CG1-CD1 4.12Å; L164-L225 HydrophobicContact CD1-CD1 3.85Å; Y221-L225 HydrophobicContact CD2-CG 4.23Å; Y221-L225 HydrophobicContact CE1-CD1 4.15Å; Y221-L225 HydrophobicContact CE2-CD1 4.1Å; Y221-L225 HydrophobicContact CE2-CD2 3.78Å; Y221-L225 HydrophobicContact CE2-CG 3.82Å; Y221-L225 PolarHBondContact O-N 3.33Å; Y222-L225 PolarHBondContact O-N 3.2Å; L225-R227 PolarHBondContact O-N 3.37Å; L225-L228 PolarHBondContact O-N 2.84Å
226T86.1Confident72.5Confident73 Ų73101.5 Ų101.545%0.44852%0.516SS..THydrogen-bonded Turntrans-67.4-6.8-179.9-43.40000113.5Y222Y222-T226 WeakPolarHBondContact O-CB 3.38Å; Y222-T226 PolarHBondContact O-N 3.34Å; Y222-T226 PolarHBondContact O-OG1 3.45Å
227R81.3Confident69.9Low202 Ų202103.9 Ų103.976%0.76254%0.541SS*.THydrogen-bonded Turntrans-102.92176.7-75.3177.6-179.5-175.7-0.4114.3K223 L225K223-R227 WeakPolarHBondContact O-CB 3.41Å; K223-R227 VanDerWaalsContact O-CD 3.24Å; K223-R227 WeakPolarHBondContact O-CD 3.29Å; K223-R227 WeakPolarHBondContact O-CG 3.48Å; L225-R227 PolarHBondContact O-N 3.37Å
228L64.2Low67.1Low107 Ų107106.8 Ų106.856%0.5657%0.571SS**SBendtrans-73.9127.2166.7-10265.5000109L225 L230L225-L228 PolarHBondContact O-N 2.84Å; L228-L230 PolarHBondContact O-N 3.24Å
229P53.1Low64.6Low118 Ų118114 Ų11477%0.76661%0.61SS**PPolyproline II helixtrans-62.1128.5166.8-18.732.1000109.4A231P229-A231 PolarHBondContact O-N 3.15Å
230L47.6Very low61.9Low169 Ų169123 Ų12389%0.88564%0.64SS**PPolyproline II helixtrans-66.1123.5160.8-68.1171.2000107.1L228 D232L228-L230 PolarHBondContact O-N 3.24Å; L230-D232 PolarHBondContact O-N 3.13Å
231A43Very low59.4Low95 Ų95124.8 Ų124.879%0.78565%0.654SS**  trans-80.1100.7177.400000109.2P229 D233P229-A231 PolarHBondContact O-N 3.15Å; A231-D233 PolarHBondContact O-N 3.39Å
232D41.9Very low56.7Low144 Ų144132.3 Ų132.377%0.7770%0.695SS**  trans19.396.6138.5-127.412.8000115.9L230L230-D232 PolarHBondContact O-N 3.13Å
233D41Very low54Low161 Ų161137.4 Ų137.486%0.86173%0.725SS**  trans-99109.9152.1-94.9-36.5000106.5A231A231-D233 PolarHBondContact O-N 3.39Å
234E45.6Very low51.5Low163 Ų163140.2 Ų140.276%0.76275%0.749SS**  trans-70.4161.1170.3-69.3-171.5124.100111.1
235L41.2Very low49.1Very low170 Ų170142.6 Ų142.689%0.8976%0.762SS**  trans82.4133.8-177.1-51.9145000113.6
236D36.7Very low46.7Very low158 Ų158150.6 Ų150.685%0.84580%0.799SS**  cis-138158.53.3-167.213.1000110.6
237G41.7Very low44Very low68 Ų68153.1 Ų153.170%0.70182%0.82SS**  trans-94.6146.2-166.200000115.6
238S37.6Very low42Very low121 Ų121146.8 Ų146.885%0.84682%0.817SS**  trans-156.6139154.5-1700000110.6
239D45Very low40.8Very low154 Ų154149.3 Ų149.382%0.82483%0.831SS**  trans-60.6144.4168.8-72.1-57.3000111.1
240R36.5Very low39.9Very low235 Ų235152 Ų15289%0.88784%0.838SS**  -170.4140.5116.3-102.6179.4114.370.111.7113.1
241E42.8Very low39.3Very low182 Ų182149.8 Ų149.885%0.8584%0.837SS**  trans-65.3146167.8-55.8160.8119.900111.4
242L37.7Very low38.9Very low176 Ų176152.8 Ų152.892%0.92184%0.84SS**  trans-171.4140.8130.8-102.6167.6000110.3
243D37.4Very low38.5Very low149 Ų149151.4 Ų151.480%0.79783%0.832SS**  trans-70.1154.8172.6-65.7-63.1000112.3
244V39.4Very low38.1Very low146 Ų146151.3 Ų151.389%0.88583%0.826SS**  -177.9151.7114.1147.90000110.1
245E42.1Very low38.1Very low186 Ų186153.6 Ų153.687%0.86983%0.828SS**  trans-72.2160.3-178.6-57.1170.1113.200113.6
246E38.8Very low37.9Very low186 Ų186147.4 Ų147.487%0.86981%0.805SS**  trans145.697.5134.9-171.7164.3-135.700113.3
247S29.8Very low37.7Very low126 Ų126149.5 Ų149.588%0.88181%0.81SS**  trans-171.479153.2-83.10000110.3
248G39.6Very low37Very low68 Ų68151.6 Ų151.670%0.70181%0.814SS**  trans-80.8176.9160.500000112
249D39.1Very low36.9Very low160 Ų160151.7 Ų151.786%0.85681%0.811SS**  trans52.376.8158.4-61.1-4.1000119.4
250L34.3Very low36.3Very low174 Ų174150.2 Ų150.291%0.91181%0.808SS**SBendtrans-140.612.1145.1-85.8-170000114.5
251S33.6Very low36Very low124 Ų124144.8 Ų144.887%0.86780%0.803SS**  trans-91.1-8.1-173.1-650000115.5
252D34.6Very low35.4Very low157 Ų157147.1 Ų147.184%0.8480%0.804SS**  trans-96.68.7-160.2-142.237.2000115.4Q254D252-Q254 VanDerWaalsContact C-N 3.26Å; D252-Q254 PolarHBondContact O-N 3.05Å
253L34.3Very low35Very low116 Ų116144.5 Ų144.561%0.60780%0.797SS**  trans-84.867.9169.9-71.1-179.6000111.4W255L253-W255 VanDerWaalsContact C-N 3.34Å; L253-W255 HydrophobicContact CD2-CZ2 4.35Å; L253-W255 PolarHBondContact O-N 2.92Å
254Q33Very low34.6Very low159 Ų159143.4 Ų143.474%0.74380%0.801SS**  trans-73.885.2170.2-175.6172.9-36.400110.3D252 G256D252-Q254 VanDerWaalsContact C-N 3.26Å; D252-Q254 PolarHBondContact O-N 3.05Å; Q254-G256 PolarHBondContact O-N 2.76Å
255W45.7Very low34.2Very low211 Ų211141.5 Ų141.580%0.79979%0.794SS**  trans-71.860.2172-65.9108.8000112.4L253L253-W255 VanDerWaalsContact C-N 3.34Å; L253-W255 HydrophobicContact CD2-CZ2 4.35Å; L253-W255 PolarHBondContact O-N 2.92Å
256G35.5Very low33.6Very low39 Ų39144.1 Ų144.140%0.40280%0.796SS.*SBendtrans-154.4103.8179.500000110.4Q254Q254-G256 PolarHBondContact O-N 2.76Å
257E33.8Very low33.6Very low203 Ų203141.1 Ų141.195%0.94979%0.793SS**  trans68.3124.3-172.3-55.8-169.7166.100115.7
258S27.1Very low33.6Very low112 Ų112139.7 Ų139.778%0.78379%0.789SS**  trans-133.6139.1165.8-167.60000108.5V260S258-V260 PolarHBondContact O-N 2.98Å
259P33.9Very low33.1Very low123 Ų123142.7 Ų142.780%0.79980%0.799SS**  trans-86.2115.7-15931.4-35.3000114.2
260V32.4Very low32.6Very low123 Ų123138.3 Ų138.375%0.74579%0.791SS**  trans-83125.6167.5-179.90000110.5S258 R262S258-V260 PolarHBondContact O-N 2.98Å; V260-R262 PolarHBondContact O-N 3.43Å; V260-R262 VanDerWaalsContact O-N 3.09Å
261P31Very low32.3Very low121 Ų121137.1 Ų137.179%0.78679%0.792SS**  trans-74.399.6177.829.6-34.1000111.7
262R30.1Very low32.1Very low231 Ų231136.1 Ų136.187%0.87279%0.791SS**  trans-82.1131.9172.3-77.9-175.2170.1168.6-0.8112.2V260V260-R262 PolarHBondContact O-N 3.43Å; V260-R262 VanDerWaalsContact O-N 3.09Å
263P30.3Very low31.9Very low121 Ų121133.1 Ų133.179%0.78679%0.788SS**  trans-81.3129.5176.631.3-33.6000113
264S28.9Very low32.1Very low125 Ų125133.4 Ų133.487%0.87480%0.797SS**  trans67.2162.5165.7-154.20000117.7
265S31.1Very low31.9Very low106 Ų106134.3 Ų134.374%0.74181%0.805SS**  trans-141.3151.9-165.764.50000113.2
266R29.2Very low31.1Very low241 Ų241135.6 Ų135.691%0.90981%0.81SS**  trans-171.2163.5135.5-103.1179.8164.1160.2-1.2111.2
267P39.3Very low30.6Very low123 Ų123138.5 Ų138.580%0.79983%0.83SS**  trans-103.8177.9-138.640.6-41.4000116.6
268A29.6Very low30.3Very low96 Ų96135 Ų13579%0.79382%0.818SS**  trans-96.2167.9-166.700000116.2
269S29Very low30.4Very low132 Ų132139.9 Ų139.992%0.92382%0.819SS**  trans-163.9136.1154.5-740000107.7
270G27.3Very low30.2Very low67 Ų67140 Ų14069%0.69182%0.823SS**  cis174.1170.8-7.700000111.4
271T29.5Very low30Very low149 Ų149137.5 Ų137.591%0.91482%0.822SS**  trans62.7102.7158.6-45.40000119.5
272A28.5Very low30.4Very low103 Ų103143.2 Ų143.285%0.85183%0.827SS**  -173.8154.512400000111.4
273A29.6Very low30.5Very low95 Ų95139.8 Ų139.879%0.78583%0.827SS**  trans-127.2176.7-179.900000110
274P40.2Very low30.8Very low121 Ų121140.6 Ų140.679%0.78683%0.83SS**  trans-98.9170-137.137.7-39.2000116.3
275I27.3Very low31.3Very low178 Ų178140.2 Ų140.291%0.91382%0.824SS**  trans-113.8145.2162.8-64.7179.3000108.9
276R28.7Very low31.2Very low239 Ų239140 Ų14090%0.90283%0.829SS**  trans-140.9109.6-167.1178-167.5-171.1176.65.6111.3
277A26.6Very low31.3Very low100 Ų100133.7 Ų133.783%0.82682%0.822SS**  trans-174164.7159.200000109.7
278D27.1Very low30.9Very low130 Ų130134.4 Ų134.470%0.69582%0.823SS**  -162.2145.7-51.8-164.411000106.4
279R28.9Very low30.9Very low214 Ų214137 Ų13781%0.80882%0.824SS**  trans49.7124.7162.8-72.1155.2-169.5-112.5-7.2122.2
280S30.7Very low31.1Very low126 Ų126136 Ų13688%0.88182%0.817SS**  69.8108.9121.6-173.90000120.7
281G27.6Very low31.3Very low70 Ų70139.7 Ų139.772%0.72282%0.819SS**  trans-165.6139.2154.300000111
282R39.9Very low31.4Very low240 Ų240137.3 Ų137.391%0.90681%0.806SS**  trans-76.4146.6153.8-78.5174.8164.4153.9-7.7107.1
283D30.3Very low31.7Very low160 Ų160139.2 Ų139.286%0.85680%0.801SS**  -175.5143.7124.9-89.8-21.2000110.6
284T37.9Very low31.8Very low138 Ų138143.2 Ų143.285%0.84780%0.804SS**  trans-101122.6175.6-47.80000109.2
285P38.2Very low31.7Very low117 Ų117147 Ų14776%0.7680%0.803SS**  trans-99.8113165.832.9-25.1000110.4
286A30Very low31.8Very low101 Ų101145.8 Ų145.884%0.83580%0.798SS**  trans-93.5120.8167.300000109.9
287S30.8Very low31.9Very low109 Ų109141.6 Ų141.676%0.76279%0.788SS**  trans-163.296.3162.660.90000111.8
288V30.8Very low32.4Very low137 Ų137144.4 Ų144.483%0.8379%0.79SS**  trans-133.4105.5154.9-179.70000106.5
289D29.6Very low32.6Very low150 Ų150146.2 Ų146.280%0.80279%0.788SS**  trans-76.4138.9170.4-83.4-50.9000110.2
290S33.7Very low32.9Very low112 Ų112141.1 Ų141.178%0.78378%0.776SS**  trans32.693152.5-59.30000119.1
291I30.9Very low33Very low145 Ų145143 Ų14374%0.74478%0.776SS**  trans-101.5123.1143.7-60.7179.3000107.4
292P32.2Very low33.4Very low99 Ų99142.9 Ų142.964%0.64376%0.764SS**  trans-68.2130174.2-1831.9000111.3E294P292-E294 PolarHBondContact O-N 2.96Å
293L34.2Very low33.1Very low142 Ų142142.9 Ų142.974%0.74376%0.764SS**  trans-83.392.4169.7-73172000109.7W295L293-W295 VanDerWaalsContact O-CD1 3.3Å; L293-W295 PolarHBondContact O-N 3.19Å
294E32.8Very low33Very low180 Ų180143 Ų14384%0.84176%0.764SS**  trans-73.899.2168.3-65.5-176.1-134.400109P292 D296P292-E294 PolarHBondContact O-N 2.96Å; E294-D296 PolarHBondContact O-N 3.27Å
295W37.3Very low32.9Very low200 Ų200144.7 Ų144.776%0.75877%0.768SS**  trans-7690.3178.9-73.486.4000111L293L293-W295 VanDerWaalsContact O-CD1 3.3Å; L293-W295 PolarHBondContact O-N 3.19Å
296D29.9Very low32.5Very low153 Ų153148.2 Ų148.282%0.81877%0.774SS**  trans-74.2138.4168.7-153.8-0.9000110.6E294E294-D296 PolarHBondContact O-N 3.27Å
297H31.1Very low32.5Very low151 Ų151148.9 Ų148.970%0.69977%0.773SS**  trans-120.379.5-162-80.8-34000112.9
298D37.2Very low32.8Very low159 Ų159150 Ų15085%0.8578%0.777SS**  trans-149.118.1172.2-112.4-20.4000116.6D300D298-D300 PolarHBondContact O-N 2.98Å
299Y30.8Very low32.8Very low168 Ų168147.6 Ų147.666%0.65978%0.78SS**  trans-76.2101.6175.5-90.8-84000113.1L301Y299-L301 PolarHBondContact O-N 3.4Å
300D34.6Very low32.6Very low106 Ų106144.2 Ų144.257%0.56778%0.781SS**  trans-88.389.8177.9-17234.1000113.6D298 S302 K516D298-D300 PolarHBondContact O-N 2.98Å; D300-S302 PolarHBondContact O-N 3.08Å; D300-S302 VanDerWaalsContact OD1-CB 3.31Å; D300-S302 WeakPolarHBondContact OD1-CB 3.16Å; D300-S302 PolarHBondContact OD1-OG 2.91Å; D300-K516 IonicContact OD1-NZ 3.94Å
301L33.8Very low32.3Very low165 Ų165151.2 Ų151.286%0.86479%0.79SS**  trans-75.362.5172.6-68.6173.9000112.6Y299Y299-L301 PolarHBondContact O-N 3.4Å
302S34.6Very low32.1Very low68 Ų68147.8 Ų147.848%0.47679%0.79SS.*  trans-128.427.8-175.8-57.50000114.2D300D300-S302 PolarHBondContact O-N 3.08Å; D300-S302 VanDerWaalsContact OD1-CB 3.31Å; D300-S302 WeakPolarHBondContact OD1-CB 3.16Å; D300-S302 PolarHBondContact OD1-OG 2.91Å
303R33.7Very low31.8Very low240 Ų240151.4 Ų151.491%0.90680%0.804SS**  trans-139.964-177.7-156.8-179.1-171.2179.81.6115.6
304D30.1Very low31.6Very low162 Ų162149.1 Ų149.187%0.86681%0.806SS**  trans-14797.1158.6-119.9-26.9000110.6
305L35.3Very low31.2Very low175 Ų175150.2 Ų150.292%0.91681%0.811SS**  trans-179.358.8157.1-107.4174.4000111.5
306E28.8Very low30.8Very low191 Ų191151.7 Ų151.789%0.89382%0.816SS**  trans-152.8114.6163.4-128.3172.3-125.900110.7
307S29.8Very low30.5Very low115 Ų115149.9 Ų149.980%0.80482%0.816SS**  trans-153.5133.1168.9-87.50000110.6
308P38.7Very low30.3Very low133 Ų133153.7 Ų153.786%0.86482%0.824SS**  trans-77.4144.2-178.131.9-34.8000111.7
309G28.8Very low29.7Very low86 Ų86149.3 Ų149.389%0.88782%0.816SS**  trans-80.3159.3-170.800000116.3
310G26Very low29.5Very low79 Ų79149.4 Ų149.481%0.81482%0.822SS**  trans-151.9121.5174.900000112.2
311R28.4Very low29.9Very low259 Ų259149.2 Ų149.298%0.97783%0.827SS**  trans-45.6148.8-176.9-57.8168.6170-163.6-4.5115.7
312G25.5Very low29.6Very low72 Ų72149.8 Ų149.874%0.74283%0.825SS**  trans177.678159.800000118.1
313N26Very low29.4Very low176 Ų176155.4 Ų155.494%0.94184%0.844SS**  trans52.8163.4165.3-81.711.3000119.9
314A29.5Very low29.2Very low94 Ų94150.6 Ų150.678%0.77784%0.836SS**  trans-127.6148.5173.600000109.4
315E26.3Very low29Very low203 Ų203150.4 Ų150.495%0.94983%0.83SS**  trans-148.2162.6151-136.1151.9-147.500110.7
316R27.9Very low28.6Very low231 Ų231151.6 Ų151.687%0.87282%0.823SS**  trans-154.4107.2-148.5178.2-161.1-168.6-172.67.1113
317S24.5Very low28.5Very low115 Ų115150.9 Ų150.980%0.80483%0.825SS**  trans174.9168.8149.2-860000112.6
318R26.1Very low28.3Very low231 Ų231155.5 Ų155.587%0.87283%0.825SS**  cis178.2134.8-35.2-174174.9-172.6-1750.5108.5
319G23.7Very low27.9Very low66 Ų66155.5 Ų155.568%0.6882%0.822SS**  trans137.9104.7-176.800000109.7
320H26.9Very low27.9Very low170 Ų170157.5 Ų157.579%0.78782%0.823SS**  cis64.6139.930.4-99.5-72.2000114.5
321P42.8Very low28.1Very low103 Ų103159.4 Ų159.467%0.66982%0.824SS**  cis-109.1-152.8-28.426.4-2.4000108
322E29Very low28.3Very low177 Ų177153 Ų15383%0.82781%0.813SS**  cis-128-179.91.8-71177154.900107.2
323E30.4Very low28.7Very low186 Ų186155.8 Ų155.887%0.86982%0.816SS**  cis-132.9-175.215.9-62174.183.300112
324D27.9Very low28.9Very low139 Ų139154.7 Ų154.774%0.74381%0.809SS**  trans-97.6-178.2169.6-83.3-72.9000109.5
325E26.4Very low29.1Very low158 Ų158156.1 Ų156.174%0.73881%0.814SS**  cis-159.8-175.928.7-159171.3-173.300111.9
326Y26.8Very low29.8Very low199 Ų199153.7 Ų153.778%0.7881%0.807SS**SBendtrans70.777.2174.9-68.7-88000118
327L27.9Very low30.3Very low176 Ų176147.5 Ų147.592%0.92180%0.795SS**  -178.776.4107.8-94.9167.8000111.8
328R25.8Very low31.4Very low212 Ų212147.9 Ų147.980%0.879%0.792SS**  trans-111.184.2-178.7-169.7-155.4-66-172.52.5113.4
329T29.8Very low32.3Very low133 Ų133143.2 Ų143.282%0.81678%0.783SS**SBendtrans-164.292.6157.614.90000112.4
330S28.7Very low33.7Very low129 Ų129142 Ų14290%0.90276%0.763SS**SBendtrans-176-27.3156.9-87.60000114.4
331S29.2Very low34.9Very low119 Ų119143.9 Ų143.983%0.83277%0.772SS**  trans-104.949.6-169.9-170.40000114.4
332T32.3Very low35.8Very low123 Ų123141 Ų14176%0.75576%0.755SS**  trans-136.155.7179.7560000113.8
333V34.5Very low37.1Very low132 Ų132136.9 Ų136.980%0.874%0.743SS**SBendtrans-139.2153.2152.4-171.50000106.7
334L29.6Very low38.7Very low153 Ų153133.9 Ų133.980%0.80173%0.729SS**  trans74.844.7-177.9-49.1-177.4000116.3
335S33.7Very low40.3Very low124 Ų124129.1 Ų129.187%0.86771%0.709SS**  trans-111.759.9154.6-65.80000110.7
336D42.6Very low41.9Very low151 Ų151128 Ų12881%0.80770%0.699SS**  trans-16499.9157.1-114.7-18.8000109.9
337V38.5Very low43.9Very low101 Ų101123.7 Ų123.761%0.61269%0.688SS**  trans-134.395.3168.9-179.90000107.7I339 L349V337-I339 PolarHBondContact O-N 3.42Å; V337-L349 HydrophobicContact CG1-CD2 4.07Å
338V45.6Very low45.8Very low124 Ų124121.9 Ų121.975%0.75267%0.673SS**PPolyproline II helixtrans-68.2116.9167.91790000107.7P340V338-P340 VanDerWaalsContact O-CD 3.25Å; V338-P340 WeakPolarHBondContact O-CD 3.39Å
339I45.6Very low47.6Very low132 Ų132115 Ų11568%0.67765%0.652SS**PPolyproline II helixtrans-69.2118.8177.1-58.5175.7000108.3V337V337-I339 PolarHBondContact O-N 3.42Å
340P53.6Low48.9Very low41 Ų41111.3 Ų111.327%0.26663%0.629SS.*PPolyproline II helixtrans-73.4138.1177.9-16.532.3000111.4V338 S342 A345 L349V338-P340 VanDerWaalsContact O-CD 3.25Å; V338-P340 WeakPolarHBondContact O-CD 3.39Å; P340-S342 PolarHBondContact O-N 3.38Å; P340-S342 VanDerWaalsContact O-N 3.09Å; P340-A345 HydrophobicContact CB-CB 3.54Å; P340-A345 HydrophobicContact CG-CB 4.11Å; P340-L349 HydrophobicContact CG-CD2 4.44Å
341E52.3Low50.5Low209 Ų209109.4 Ų109.498%0.97761%0.606SS**SBendtrans-74.87.1-178.4-58.3-174.7145.100114.4
342S62Low52Low44 Ų44108.2 Ų108.231%0.30859%0.59SS.*SBendtrans-122.3137179.4128.40000111.9P340 E344 A345 Y346P340-S342 PolarHBondContact O-N 3.38Å; P340-S342 VanDerWaalsContact O-N 3.09Å; S342-E344 VanDerWaalsContact C-N 3.31Å; S342-E344 WeakPolarHBondContact CB-OE2 3.33Å; S342-E344 PolarHBondContact O-N 2.9Å; S342-E344 PolarHBondContact OG-N 2.58Å; S342-E344 PolarHBondContact OG-OE2 3.1Å; S342-A345 PolarHBondContact O-N 3.43Å; S342-A345 PolarHBondContact OG-N 3.45Å; S342-Y346 PolarHBondContact O-N 3.36Å; S342-Y346 VanDerWaalsContact O-N 3.13Å
343P55.8Low53.1Low89 Ų89106.5 Ų106.558%0.57858%0.579SS**Hα-helixtrans-60.2-36.9178-24.334.5000113.8A345 Y346 I347P343-A345 VanDerWaalsContact C-N 3.33Å; P343-A345 PolarHBondContact O-N 3.05Å; P343-Y346 PolarHBondContact O-N 3.43Å; P343-I347 WeakPolarHBondContact O-CG1 3.24Å; P343-I347 PolarHBondContact O-N 3.03Å
344E63.5Low53.8Low124 Ų124105.6 Ų105.658%0.57957%0.569SS**Hα-helixtrans-68.2-35.1-178.6-51.680.1-17700111.7S342 K348S342-E344 VanDerWaalsContact C-N 3.31Å; S342-E344 WeakPolarHBondContact CB-OE2 3.33Å; S342-E344 PolarHBondContact O-N 2.9Å; S342-E344 PolarHBondContact OG-N 2.58Å; S342-E344 PolarHBondContact OG-OE2 3.1Å; E344-K348 WeakPolarHBondContact O-CG 3.44Å; E344-K348 PolarHBondContact O-N 3.12Å
345A62.4Low55Low38 Ų38104.7 Ų104.731%0.31456%0.559SS.*Hα-helixtrans-70.6-4017400000111.5P340 S342 P343 K348 L349P340-A345 HydrophobicContact CB-CB 3.54Å; P340-A345 HydrophobicContact CG-CB 4.11Å; S342-A345 PolarHBondContact O-N 3.43Å; S342-A345 PolarHBondContact OG-N 3.45Å; P343-A345 VanDerWaalsContact C-N 3.33Å; P343-A345 PolarHBondContact O-N 3.05Å; A345-K348 PolarHBondContact O-N 3.21Å; A345-L349 WeakPolarHBondContact O-CB 3.41Å; A345-L349 PolarHBondContact O-N 3.11Å
346Y60.5Low55.7Low135 Ų135103.9 Ų103.953%0.52955%0.553SS.*Hα-helixtrans-62.1-43.6174.4-172.9-89.3000112.2S342 P343 K348 L349 T350S342-Y346 PolarHBondContact O-N 3.36Å; S342-Y346 VanDerWaalsContact O-N 3.13Å; P343-Y346 PolarHBondContact O-N 3.43Å; Y346-K348 PolarHBondContact O-N 3.31Å; Y346-L349 PolarHBondContact O-N 3.08Å; Y346-T350 PolarHBondContact O-N 3.24Å; Y346-T350 PolarHBondContact O-OG1 2.87Å
347I68.6Low56Low109 Ų109100.9 Ų100.956%0.55954%0.544SS*.Hα-helixtrans-61.6-46.5177.5-69.6164.7000110.7P343 L349 T350 E351P343-I347 WeakPolarHBondContact O-CG1 3.24Å; P343-I347 PolarHBondContact O-N 3.03Å; I347-L349 PolarHBondContact O-N 2.78Å; I347-T350 PolarHBondContact O-N 3.03Å; I347-E351 WeakPolarHBondContact O-CB 2.82Å; I347-E351 PolarHBondContact O-N 3.2Å
348K66.3Low56.3Low138 Ų13898.6 Ų98.660%0.653%0.533SS*.Hα-helixtrans-65.7-35.3177.5-76.8-178.7175.7178.90113.6E344 A345 Y346 N352E344-K348 WeakPolarHBondContact O-CG 3.44Å; E344-K348 PolarHBondContact O-N 3.12Å; A345-K348 PolarHBondContact O-N 3.21Å; Y346-K348 PolarHBondContact O-N 3.31Å; K348-N352 PolarHBondContact O-N 3.07Å; K348-N352 PolarHBondContact O-ND2 3.22Å
349L64.1Low56.5Low68 Ų6896.7 Ų96.736%0.35654%0.538SS..Hα-helixtrans-61.8-52.5172.8-174.266000109.8V337 P340 A345 Y346 I347 E351 N352 T353V337-L349 HydrophobicContact CG1-CD2 4.07Å; P340-L349 HydrophobicContact CG-CD2 4.44Å; A345-L349 WeakPolarHBondContact O-CB 3.41Å; A345-L349 PolarHBondContact O-N 3.11Å; Y346-L349 PolarHBondContact O-N 3.08Å; I347-L349 PolarHBondContact O-N 2.78Å; L349-E351 PolarHBondContact O-N 2.8Å; L349-N352 PolarHBondContact O-N 3.13Å; L349-T353 PolarHBondContact O-N 3.45Å; L349-T353 PolarHBondContact O-OG1 3.33Å
350T57.3Low56.9Low55 Ų5597 Ų9734%0.33754%0.537SS..Hα-helixtrans-55.7-46.3178-470000112.6Y346 I347 N352 T353 L354Y346-T350 PolarHBondContact O-N 3.24Å; Y346-T350 PolarHBondContact O-OG1 2.87Å; I347-T350 PolarHBondContact O-N 3.03Å; T350-N352 VanDerWaalsContact C-N 3.34Å; T350-N352 PolarHBondContact O-N 3.24Å; T350-T353 PolarHBondContact O-N 2.8Å; T350-L354 HydrophobicContact CG2-CD1 4.18Å; T350-L354 WeakPolarHBondContact O-CG 3.45Å; T350-L354 PolarHBondContact O-N 2.73Å
351E62.5Low56.6Low89 Ų89101.5 Ų101.542%0.41657%0.566SS.*Hα-helixtrans-60.3-41.7179.1-166.5-163.8149.900112.1I347 L349 K355I347-E351 WeakPolarHBondContact O-CB 2.82Å; I347-E351 PolarHBondContact O-N 3.2Å; L349-E351 PolarHBondContact O-N 2.8Å; E351-K355 WeakPolarHBondContact O-CG 3.46Å; E351-K355 PolarHBondContact O-N 2.8Å; E351-K355 VanDerWaalsContact O-N 3.16Å; E351-K355 IonicContact OE1-NZ 3.44Å; E351-K355 PolarHBondContact OE1-NZ 3.23Å
352N59.9Low56.8Low93 Ų9393.5 Ų93.550%0.49754%0.539SS..Hα-helixtrans-72.3-41.1178.2-72.9-38.5000112.1K348 L349 T350 L354 K355 S356K348-N352 PolarHBondContact O-N 3.07Å; K348-N352 PolarHBondContact O-ND2 3.22Å; L349-N352 PolarHBondContact O-N 3.13Å; T350-N352 VanDerWaalsContact C-N 3.34Å; T350-N352 PolarHBondContact O-N 3.24Å; N352-L354 VanDerWaalsContact C-N 3.34Å; N352-L354 PolarHBondContact O-N 3.5Å; N352-K355 PolarHBondContact O-N 3.46Å; N352-S356 PolarHBondContact O-N 2.96Å; N352-S356 PolarHBondContact O-OG 3.06Å
353T56.2Low56.4Low87 Ų8798 Ų9853%0.53456%0.556SS.*Hα-helixtrans-60.1-43.1175.2-59.40000111.6L349 T350 K355 S356 S357L349-T353 PolarHBondContact O-N 3.45Å; L349-T353 PolarHBondContact O-OG1 3.33Å; T350-T353 PolarHBondContact O-N 2.8Å; T353-K355 PolarHBondContact O-N 2.92Å; T353-S356 PolarHBondContact O-N 3.09Å; T353-S356 VanDerWaalsContact O-N 3.15Å; T353-S357 PolarHBondContact O-N 3.08Å; T353-S357 PolarHBondContact O-OG 3.35Å
354L50.3Low56.4Low113 Ų11399.1 Ų99.159%0.59256%0.556SS**Hα-helixtrans-60.6-45.6175.2-73.4167.8000111.5T350 N352 S356 S357T350-L354 HydrophobicContact CG2-CD1 4.18Å; T350-L354 WeakPolarHBondContact O-CG 3.45Å; T350-L354 PolarHBondContact O-N 2.73Å; N352-L354 VanDerWaalsContact C-N 3.34Å; N352-L354 PolarHBondContact O-N 3.5Å; L354-S356 VanDerWaalsContact C-N 3.26Å; L354-S356 PolarHBondContact O-N 3.38Å; L354-S357 PolarHBondContact O-N 2.91Å; L354-S357 PolarHBondContact O-OG 2.88Å
355K54.6Low56.5Low134 Ų13498.7 Ų98.758%0.58355%0.554SS**Hα-helixtrans-61.2-30.2174.6-74.7168.3174.5174.40113.4E351 N352 T353E351-K355 WeakPolarHBondContact O-CG 3.46Å; E351-K355 PolarHBondContact O-N 2.8Å; E351-K355 VanDerWaalsContact O-N 3.16Å; E351-K355 IonicContact OE1-NZ 3.44Å; E351-K355 PolarHBondContact OE1-NZ 3.23Å; N352-K355 PolarHBondContact O-N 3.46Å; T353-K355 PolarHBondContact O-N 2.92Å
356S48Very low56.7Low107 Ų10799.2 Ų99.275%0.74856%0.558SS**Hα-helixtrans-83.1-21176.2-61.90000114.6N352 T353 L354N352-S356 PolarHBondContact O-N 2.96Å; N352-S356 PolarHBondContact O-OG 3.06Å; T353-S356 PolarHBondContact O-N 3.09Å; T353-S356 VanDerWaalsContact O-N 3.15Å; L354-S356 VanDerWaalsContact C-N 3.26Å; L354-S356 PolarHBondContact O-N 3.38Å
357S47.7Very low56.6Low88 Ų8895.5 Ų95.562%0.61555%0.552SS**Hα-helixtrans-85-14.6-179.763.60000115.4T353 L354 G359T353-S357 PolarHBondContact O-N 3.08Å; T353-S357 PolarHBondContact O-OG 3.35Å; L354-S357 PolarHBondContact O-N 2.91Å; L354-S357 PolarHBondContact O-OG 2.88Å; S357-G359 PolarHBondContact O-N 3.46Å
358S44.8Very low56.5Low53 Ų5395.1 Ų95.137%0.37155%0.551SS.*  trans-87.7101.3-178.6-178.20000111.3E360S358-E360 PolarHBondContact O-N 3.18Å; S358-E360 VanDerWaalsContact O-N 3.1Å; S358-E360 PolarHBondContact OG-O 2.94Å
359G50.3Low56.8Low84 Ų8495.8 Ų95.887%0.86655%0.55SS*.SBendtrans-61.2-18.1-172.900000117S357S357-G359 PolarHBondContact O-N 3.46Å
360E53.3Low57Low139 Ų13998.8 Ų98.865%0.6556%0.562SS**SBendtrans-128.9131.7171.1-67.7-164.3150.300111.8S358 G362S358-E360 PolarHBondContact O-N 3.18Å; S358-E360 VanDerWaalsContact O-N 3.1Å; S358-E360 PolarHBondContact OG-O 2.94Å; E360-G362 PolarHBondContact O-N 2.89Å
361P49Very low57.3Low136 Ų136101.2 Ų101.288%0.88357%0.572SS**THydrogen-bonded Turntrans-81.221.7-172.435-38.4000114.2
362G55.3Low57.7Low40 Ų40101.4 Ų101.441%0.41258%0.576SS.*THydrogen-bonded Turntrans-123.5-25.1-178.400000114.9E360 A366E360-G362 PolarHBondContact O-N 2.89Å; G362-A366 VanDerWaalsContact O-CB 3.28Å; G362-A366 WeakPolarHBondContact O-CB 3.14Å; G362-A366 PolarHBondContact O-N 3.44Å
363Q54.2Low58.5Low139 Ų139103.2 Ų103.265%0.6558%0.582SS**Hα-helixtrans-73.7-44.2-168.6-159.8172.929.600112.5A366 S367Q363-A366 PolarHBondContact O-N 2.88Å; Q363-S367 PolarHBondContact O-N 3.47Å; Q363-S367 PolarHBondContact O-OG 3.2Å
364L56Low59.1Low113 Ų113102 Ų10259%0.59258%0.581SS**Hα-helixtrans-64.8-41.8175.1-177.462.7000111.9A366 S367 L368L364-A366 VanDerWaalsContact C-N 3.31Å; L364-A366 PolarHBondContact O-N 3.04Å; L364-S367 PolarHBondContact O-N 3.5Å; L364-L368 HydrophobicContact CD1-CD1 4.45Å; L364-L368 HydrophobicContact CD1-CG 4.47Å; L364-L368 HydrophobicContact CG-CD1 4.17Å; L364-L368 WeakPolarHBondContact O-CB 3.22Å; L364-L368 WeakPolarHBondContact O-CG 3.42Å; L364-L368 PolarHBondContact O-N 2.94Å
365E65.9Low60Low115 Ų115101 Ų10154%0.53758%0.575SS.*Hα-helixtrans-60.5-40175.8-167.181.7-162.500111.3R369E365-R369 WeakPolarHBondContact O-CB 3.17Å; E365-R369 PolarHBondContact O-N 3.47Å; E365-R369 IonicContact OE1-NH1 2.69Å; E365-R369 PolarHBondContact OE1-NH1 2.8Å
366A65.6Low60.9Low48 Ų4898.5 Ų98.540%0.39757%0.568SS.*Hα-helixtrans-70.4-42.7175.200000112.5G362 Q363 L364 R369 Q370G362-A366 VanDerWaalsContact O-CB 3.28Å; G362-A366 WeakPolarHBondContact O-CB 3.14Å; G362-A366 PolarHBondContact O-N 3.44Å; Q363-A366 PolarHBondContact O-N 2.88Å; L364-A366 VanDerWaalsContact C-N 3.31Å; L364-A366 PolarHBondContact O-N 3.04Å; A366-R369 PolarHBondContact O-N 3.39Å; A366-Q370 WeakPolarHBondContact O-CG 3.36Å; A366-Q370 PolarHBondContact O-N 3.17Å
367S58.8Low62Low58 Ų5895.9 Ų95.941%0.40655%0.553SS.*Hα-helixtrans-63.6-40.5175.5-64.70000112.2Q363 L364 Q370 L371Q363-S367 PolarHBondContact O-N 3.47Å; Q363-S367 PolarHBondContact O-OG 3.2Å; L364-S367 PolarHBondContact O-N 3.5Å; S367-Q370 PolarHBondContact O-N 2.89Å; S367-L371 PolarHBondContact O-N 3.37Å
368L67Low62.8Low101 Ų10193.5 Ų93.553%0.52954%0.543SS..Hα-helixtrans-64.2-43.8173.4-72.5170.2000111.3L364 Q370 L371 D372L364-L368 HydrophobicContact CD1-CD1 4.45Å; L364-L368 HydrophobicContact CD1-CG 4.47Å; L364-L368 HydrophobicContact CG-CD1 4.17Å; L364-L368 WeakPolarHBondContact O-CB 3.22Å; L364-L368 WeakPolarHBondContact O-CG 3.42Å; L364-L368 PolarHBondContact O-N 2.94Å; L368-Q370 VanDerWaalsContact C-N 3.34Å; L368-Q370 PolarHBondContact O-N 3.49Å; L368-L371 WeakPolarHBondContact O-CB 3.45Å; L368-L371 PolarHBondContact O-N 2.87Å; L368-D372 WeakPolarHBondContact O-CB 3.44Å; L368-D372 PolarHBondContact O-N 3.21Å
369R71.2Confident63.9Low152 Ų15297.6 Ų97.657%0.57455%0.55SS*.Hα-helixtrans-61.3-37.6172.9-90.2-175.1154.883.72.5113.6E365 A366 D372 Q373E365-R369 WeakPolarHBondContact O-CB 3.17Å; E365-R369 PolarHBondContact O-N 3.47Å; E365-R369 IonicContact OE1-NH1 2.69Å; E365-R369 PolarHBondContact OE1-NH1 2.8Å; A366-R369 PolarHBondContact O-N 3.39Å; R369-D372 PolarHBondContact O-N 2.89Å; R369-Q373 VanDerWaalsContact O-CB 3.32Å; R369-Q373 WeakPolarHBondContact O-CB 3.41Å; R369-Q373 VanDerWaalsContact O-CG 3.22Å; R369-Q373 WeakPolarHBondContact O-CG 3.24Å; R369-Q373 PolarHBondContact O-N 3.01Å
370Q69Low64.6Low130 Ų130101.7 Ų101.761%0.60754%0.54SS*.Hα-helixtrans-66.8-39.1174.8-77.7179.2-28.900111.6A366 S367 L368 A374A366-Q370 WeakPolarHBondContact O-CG 3.36Å; A366-Q370 PolarHBondContact O-N 3.17Å; S367-Q370 PolarHBondContact O-N 2.89Å; L368-Q370 VanDerWaalsContact C-N 3.34Å; L368-Q370 PolarHBondContact O-N 3.49Å; Q370-A374 VanDerWaalsContact O-CB 3.3Å; Q370-A374 WeakPolarHBondContact O-CB 3.43Å; Q370-A374 PolarHBondContact O-N 2.63Å
371L64.3Low65.2Low106 Ų106101.6 Ų101.656%0.55554%0.54SS*.Hα-helixtrans-64.2-44.8174.1-115164.3000111.8S367 L368 A374 L375S367-L371 PolarHBondContact O-N 3.37Å; L368-L371 WeakPolarHBondContact O-CB 3.45Å; L368-L371 PolarHBondContact O-N 2.87Å; L371-A374 PolarHBondContact O-N 3.24Å; L371-L375 HydrophobicContact CD2-CD1 4.35Å; L371-L375 WeakPolarHBondContact O-CB 3.33Å; L371-L375 VanDerWaalsContact O-CG 3.28Å; L371-L375 WeakPolarHBondContact O-CG 3.12Å; L371-L375 PolarHBondContact O-N 3.14Å
372D70.4Confident65.6Low93 Ų93100 Ų10050%0.49752%0.523SS..Hα-helixtrans-66.1-41.9179-149.432.4000111.2L368 R369 A374 L375 D376L368-D372 WeakPolarHBondContact O-CB 3.44Å; L368-D372 PolarHBondContact O-N 3.21Å; R369-D372 PolarHBondContact O-N 2.89Å; D372-A374 PolarHBondContact O-N 2.93Å; D372-L375 PolarHBondContact O-N 3.46Å; D372-D376 WeakPolarHBondContact O-CB 3.46Å; D372-D376 PolarHBondContact O-N 3.42Å
373Q77.2Confident66.1Low132 Ų132104.3 Ų104.362%0.61753%0.532SS*.Hα-helixtrans-63.6-37172.1-74.8174.20.100113R369 A377R369-Q373 VanDerWaalsContact O-CB 3.32Å; R369-Q373 WeakPolarHBondContact O-CB 3.41Å; R369-Q373 VanDerWaalsContact O-CG 3.22Å; R369-Q373 WeakPolarHBondContact O-CG 3.24Å; R369-Q373 PolarHBondContact O-N 3.01Å; Q373-A377 VanDerWaalsContact O-CB 3.24Å; Q373-A377 WeakPolarHBondContact O-CB 3.34Å; Q373-A377 PolarHBondContact O-N 3.03Å
374A68.5Low66.3Low62 Ų62103.3 Ų103.351%0.51253%0.528SS..Hα-helixtrans-69.9-37.8174.900000112Q370 L371 D372 G378Q370-A374 VanDerWaalsContact O-CB 3.3Å; Q370-A374 WeakPolarHBondContact O-CB 3.43Å; Q370-A374 PolarHBondContact O-N 2.63Å; L371-A374 PolarHBondContact O-N 3.24Å; D372-A374 PolarHBondContact O-N 2.93Å; A374-G378 PolarHBondContact O-N 3.42Å
375L69.1Low66.3Low92 Ų92107.2 Ų107.248%0.48254%0.535SS..Hα-helixtrans-68.2-39.1175-73.5168.2000112L371 D372 G378 R379L371-L375 HydrophobicContact CD2-CD1 4.35Å; L371-L375 WeakPolarHBondContact O-CB 3.33Å; L371-L375 VanDerWaalsContact O-CG 3.28Å; L371-L375 WeakPolarHBondContact O-CG 3.12Å; L371-L375 PolarHBondContact O-N 3.14Å; D372-L375 PolarHBondContact O-N 3.46Å; L375-G378 PolarHBondContact O-N 2.96Å; L375-R379 PolarHBondContact O-N 2.59Å
376D73.1Confident65.5Low80 Ų80106.7 Ų106.743%0.42853%0.532SS..Hα-helixtrans-73.6-37175.2-86.7-6.5000112.8D372 G378 R379 Y380D372-D376 WeakPolarHBondContact O-CB 3.46Å; D372-D376 PolarHBondContact O-N 3.42Å; D376-G378 VanDerWaalsContact C-N 3.29Å; D376-G378 PolarHBondContact O-N 3.18Å; D376-R379 PolarHBondContact O-N 2.87Å; D376-R379 IonicContact OD1-CZ 3.75Å; D376-R379 IonicContact OD1-NE 2.63Å; D376-R379 PolarHBondContact OD1-NE 3.35Å; D376-R379 IonicContact OD1-NH2 3.07Å; D376-R379 PolarHBondContact OD1-NH2 2.93Å; D376-Y380 WeakPolarHBondContact O-CB 3.44Å; D376-Y380 PolarHBondContact O-N 3.31Å
377A70.6Confident64.6Low52 Ų52106.5 Ų106.543%0.4353%0.53SS..Hα-helixtrans-61.4-40.2168.200000111.3Q373 Y380 H381Q373-A377 VanDerWaalsContact O-CB 3.24Å; Q373-A377 WeakPolarHBondContact O-CB 3.34Å; Q373-A377 PolarHBondContact O-N 3.03Å; A377-Y380 PolarHBondContact O-N 3.36Å; A377-H381 WeakPolarHBondContact O-CB 3.42Å; A377-H381 PolarHBondContact O-N 3.16Å
378G64.8Low64.3Low39 Ų39107 Ų10740%0.40253%0.534SS..Hα-helixtrans-61.7-45.7172.700000112.8A374 L375 D376 H381 L382A374-G378 PolarHBondContact O-N 3.42Å; L375-G378 PolarHBondContact O-N 2.96Å; D376-G378 VanDerWaalsContact C-N 3.29Å; D376-G378 PolarHBondContact O-N 3.18Å; G378-H381 PolarHBondContact O-N 3.35Å; G378-L382 WeakPolarHBondContact O-CB 3.44Å; G378-L382 PolarHBondContact O-N 3.48Å
379R69.2Low63.4Low138 Ų138105.1 Ų105.152%0.52153%0.533SS..Hα-helixtrans-60.9-42.6172.8-80.9-172.9-85.3-107.42.6111.8L375 D376 L382 Q383L375-R379 PolarHBondContact O-N 2.59Å; D376-R379 PolarHBondContact O-N 2.87Å; D376-R379 IonicContact OD1-CZ 3.75Å; D376-R379 IonicContact OD1-NE 2.63Å; D376-R379 PolarHBondContact OD1-NE 3.35Å; D376-R379 IonicContact OD1-NH2 3.07Å; D376-R379 PolarHBondContact OD1-NH2 2.93Å; R379-L382 PolarHBondContact O-N 3.1Å; R379-Q383 VanDerWaalsContact O-CB 3.29Å; R379-Q383 WeakPolarHBondContact O-CB 3.33Å; R379-Q383 PolarHBondContact O-N 3.01Å
380Y65.1Low62.1Low170 Ų170102.8 Ų102.867%0.66754%0.54SS*.Hα-helixtrans-65.4-42.6178.3-138.7-87.1000111.5D376 A377 Q383 Q384D376-Y380 WeakPolarHBondContact O-CB 3.44Å; D376-Y380 PolarHBondContact O-N 3.31Å; A377-Y380 PolarHBondContact O-N 3.36Å; Y380-Q383 PolarHBondContact O-N 3.47Å; Y380-Q384 WeakPolarHBondContact O-CB 2.96Å; Y380-Q384 PolarHBondContact O-N 2.89Å
381H65.6Low61.1Low138 Ų138106.6 Ų106.664%0.63955%0.549SS*.Hα-helixtrans-63.4-41.6172.9-97-85000112.5A377 G378 R385A377-H381 WeakPolarHBondContact O-CB 3.42Å; A377-H381 PolarHBondContact O-N 3.16Å; G378-H381 PolarHBondContact O-N 3.35Å; H381-R385 VanDerWaalsContact O-CB 3.25Å; H381-R385 WeakPolarHBondContact O-CB 3.45Å; H381-R385 PolarHBondContact O-N 3.25Å
382L56.4Low60.2Low103 Ų103105.5 Ų105.554%0.53955%0.551SS.*Hα-helixtrans-62.9-50.5176.7-161.884.6000110.5G378 R379 Q384 R385 E386G378-L382 WeakPolarHBondContact O-CB 3.44Å; G378-L382 PolarHBondContact O-N 3.48Å; R379-L382 PolarHBondContact O-N 3.1Å; L382-Q384 VanDerWaalsContact C-N 3.31Å; L382-Q384 PolarHBondContact O-N 3.38Å; L382-R385 CarbonylContact O-C 3.58Å; L382-R385 WeakPolarHBondContact O-CA 3.47Å; L382-R385 WeakPolarHBondContact O-CB 3.49Å; L382-R385 PolarHBondContact O-N 2.75Å; L382-R385 VanDerWaalsContact O-N 3.1Å; L382-E386 WeakPolarHBondContact O-CG 3.32Å; L382-E386 PolarHBondContact O-N 2.7Å
383Q66.1Low58.8Low129 Ų129103.8 Ų103.860%0.60355%0.546SS*.Hα-helixtrans-68.9-28.8-178.6-164.9167.73300112.4R379 Y380 A387R379-Q383 VanDerWaalsContact O-CB 3.29Å; R379-Q383 WeakPolarHBondContact O-CB 3.33Å; R379-Q383 PolarHBondContact O-N 3.01Å; Y380-Q383 PolarHBondContact O-N 3.47Å; Q383-A387 WeakPolarHBondContact O-CB 3.45Å; Q383-A387 PolarHBondContact O-N 3.42Å
384Q58.6Low57.6Low118 Ų118102.4 Ų102.455%0.55155%0.548SS*.Hα-helixtrans-74.3-34.1171.3-167.7172.34000111.9Y380 L382 S388Y380-Q384 WeakPolarHBondContact O-CB 2.96Å; Y380-Q384 PolarHBondContact O-N 2.89Å; L382-Q384 VanDerWaalsContact C-N 3.31Å; L382-Q384 PolarHBondContact O-N 3.38Å; Q384-S388 WeakPolarHBondContact O-CB 3.48Å; Q384-S388 PolarHBondContact O-N 3.36Å
385R55.4Low56.5Low195 Ų195105.1 Ų105.174%0.73655%0.554SS**Hα-helixtrans-68.3-44.8172.1-170.6172.1-176.7151.80.3111.1H381 L382 S388 A389H381-R385 VanDerWaalsContact O-CB 3.25Å; H381-R385 WeakPolarHBondContact O-CB 3.45Å; H381-R385 PolarHBondContact O-N 3.25Å; L382-R385 CarbonylContact O-C 3.58Å; L382-R385 WeakPolarHBondContact O-CA 3.47Å; L382-R385 WeakPolarHBondContact O-CB 3.49Å; L382-R385 PolarHBondContact O-N 2.75Å; L382-R385 VanDerWaalsContact O-N 3.1Å; R385-S388 PolarHBondContact O-N 2.83Å; R385-S388 VanDerWaalsContact O-N 3.17Å; R385-S388 PolarHBondContact O-OG 3.4Å; R385-A389 PolarHBondContact O-N 3.42Å
386E49.7Very low55.4Low105 Ų105106.6 Ų106.649%0.49156%0.56SS.*Hα-helixtrans-59.1-50.3170.9-71.3171.8165.900111.1L382 S388 A389 S390L382-E386 WeakPolarHBondContact O-CG 3.32Å; L382-E386 PolarHBondContact O-N 2.7Å; E386-S388 PolarHBondContact O-N 3.05Å; E386-A389 PolarHBondContact O-N 3.17Å; E386-A389 VanDerWaalsContact O-N 3.09Å; E386-S390 PolarHBondContact O-N 2.87Å; E386-S390 PolarHBondContact O-OG 3.14Å
387A47.1Very low54.3Low43 Ų43107.7 Ų107.736%0.35557%0.566SS.*Hα-helixtrans-64.1-21.1176.200000113.7Q383 R391Q383-A387 WeakPolarHBondContact O-CB 3.45Å; Q383-A387 PolarHBondContact O-N 3.42Å; A387-R391 WeakPolarHBondContact O-CD 3.49Å; A387-R391 WeakPolarHBondContact O-CG 3.48Å
388S51.1Low53.5Low69 Ų69109.2 Ų109.248%0.48357%0.573SS.*Hα-helixtrans-79.4-41.1170.476.60000112.2Q384 R385 E386 R391 S392Q384-S388 WeakPolarHBondContact O-CB 3.48Å; Q384-S388 PolarHBondContact O-N 3.36Å; R385-S388 PolarHBondContact O-N 2.83Å; R385-S388 VanDerWaalsContact O-N 3.17Å; R385-S388 PolarHBondContact O-OG 3.4Å; E386-S388 PolarHBondContact O-N 3.05Å; S388-R391 WeakPolarHBondContact O-CB 3.21Å; S388-R391 PolarHBondContact O-N 3.09Å; S388-R391 VanDerWaalsContact O-N 3.1Å; S388-S392 PolarHBondContact O-N 2.95Å
389A48.1Very low53.1Low62 Ų62111.7 Ų111.751%0.51258%0.581SS.*Hα-helixtrans-64.3-41.5174.900000111.7R385 E386 R391 S392R385-A389 PolarHBondContact O-N 3.42Å; E386-A389 PolarHBondContact O-N 3.17Å; E386-A389 VanDerWaalsContact O-N 3.09Å; A389-R391 PolarHBondContact O-N 3.22Å; A389-S392 PolarHBondContact O-N 3.47Å; A389-S392 PolarHBondContact O-OG 3.08Å
390S44.3Very low52.5Low103 Ų103111 Ų11172%0.7258%0.579SS**THydrogen-bonded Turntrans-72.2-2.1173.8-55.30000114.3E386E386-S390 PolarHBondContact O-N 2.87Å; E386-S390 PolarHBondContact O-OG 3.14Å
391R47.9Very low52.4Low209 Ų209108.1 Ų108.179%0.78957%0.573SS**THydrogen-bonded Turntrans-97.5-15.3171-78.3170.7-174.2-166.11.1113.2A387 S388 A389 S393A387-R391 WeakPolarHBondContact O-CD 3.49Å; A387-R391 WeakPolarHBondContact O-CG 3.48Å; S388-R391 WeakPolarHBondContact O-CB 3.21Å; S388-R391 PolarHBondContact O-N 3.09Å; S388-R391 VanDerWaalsContact O-N 3.1Å; A389-R391 PolarHBondContact O-N 3.22Å; R391-S393 VanDerWaalsContact C-N 3.31Å; R391-S393 PolarHBondContact O-N 3.3Å
392S47.1Very low52.4Low84 Ų84103 Ų10359%0.58756%0.557SS**SBendtrans-77.376.3172.324.50000112.4S388 A389S388-S392 PolarHBondContact O-N 2.95Å; A389-S392 PolarHBondContact O-N 3.47Å; A389-S392 PolarHBondContact O-OG 3.08Å
393S40.6Very low52.9Low57 Ų57104.1 Ų104.140%0.39956%0.555SS.*  trans63.4101.6169.6-164.90000116.9R391 D395 M396R391-S393 VanDerWaalsContact C-N 3.31Å; R391-S393 PolarHBondContact O-N 3.3Å; S393-D395 PolarHBondContact O-N 2.82Å; S393-M396 PolarHBondContact O-N 2.93Å
394P50.8Low52.7Low102 Ų102102.6 Ų102.666%0.66255%0.549SS*.Hα-helixtrans-64.5-21.717527.9-35000113.4M396 D397 S398P394-M396 VanDerWaalsContact C-N 3.29Å; P394-M396 PolarHBondContact O-N 3.4Å; P394-D397 PolarHBondContact O-N 3.22Å; P394-S398 WeakPolarHBondContact O-CB 3.27Å; P394-S398 PolarHBondContact O-N 3.25Å
395D46.8Very low53.4Low120 Ų120104.7 Ų104.764%0.64255%0.552SS**Hα-helixtrans-64.9-33172.5-77.5-20.7000112S393 T399S393-D395 PolarHBondContact O-N 2.82Å; D395-T399 WeakPolarHBondContact O-CB 3.31Å; D395-T399 PolarHBondContact O-N 3.23Å; D395-T399 PolarHBondContact O-OG1 3.4Å
396M44.9Very low54.1Low123 Ų123100 Ų10061%0.60654%0.541SS*.Hα-helixtrans-72.2-37.3178.1-88.3-61.5-61.700112.3S393 P394 T399 Y400S393-M396 PolarHBondContact O-N 2.93Å; P394-M396 VanDerWaalsContact C-N 3.29Å; P394-M396 PolarHBondContact O-N 3.4Å; M396-T399 PolarHBondContact O-N 3.34Å; M396-Y400 WeakPolarHBondContact O-CB 3.36Å; M396-Y400 PolarHBondContact O-N 2.84Å
397D50Low54.7Low103 Ų10397.4 Ų97.455%0.55153%0.53SS*.Hα-helixtrans-76-34.8177.6-160.339.2000111.6P394 Y400 M401P394-D397 PolarHBondContact O-N 3.22Å; D397-Y400 PolarHBondContact O-N 3.45Å; D397-M401 VanDerWaalsContact O-CB 3.29Å; D397-M401 WeakPolarHBondContact O-CB 3.47Å; D397-M401 WeakPolarHBondContact O-CG 3.37Å; D397-M401 PolarHBondContact O-N 3.06Å
398S54.3Low55.8Low84 Ų8497.4 Ų97.459%0.58753%0.534SS*.Hα-helixtrans-60.7-44.5167.4-174.10000111.9P394 G402P394-S398 WeakPolarHBondContact O-CB 3.27Å; P394-S398 PolarHBondContact O-N 3.25Å; S398-G402 PolarHBondContact O-N 3.43Å
399T55.2Low56.8Low90 Ų9099.4 Ų99.455%0.55254%0.535SS*.Hα-helixtrans-69.7-36.1177.2-590000111.9D395 M396 Y403D395-T399 WeakPolarHBondContact O-CB 3.31Å; D395-T399 PolarHBondContact O-N 3.23Å; D395-T399 PolarHBondContact O-OG1 3.4Å; M396-T399 PolarHBondContact O-N 3.34Å; T399-Y403 WeakPolarHBondContact O-CB 3.4Å; T399-Y403 PolarHBondContact O-N 3.07Å
400Y57.6Low57.5Low125 Ų12598.9 Ų98.949%0.4953%0.528SS..Hα-helixtrans-71.8-44.5177.1176.5-109.7000111.8M396 D397 G402 Y403 M404M396-Y400 WeakPolarHBondContact O-CB 3.36Å; M396-Y400 PolarHBondContact O-N 2.84Å; D397-Y400 PolarHBondContact O-N 3.45Å; Y400-G402 VanDerWaalsContact C-N 3.32Å; Y400-Y403 PolarHBondContact O-N 3.47Å; Y400-M404 HydrophobicContact CD1-CG 4.47Å; Y400-M404 HydrophobicContact CD2-CG 4.3Å; Y400-M404 HydrophobicContact CE1-CG 4.12Å; Y400-M404 HydrophobicContact CE2-CG 3.94Å; Y400-M404 HydrophobicContact CE2-SD 4.3Å; Y400-M404 WeakPolarHBondContact O-CB 3.5Å; Y400-M404 VanDerWaalsContact O-CG 3.26Å; Y400-M404 WeakPolarHBondContact O-CG 3.45Å; Y400-M404 PolarHBondContact O-N 3.44Å
401M62.8Low58.7Low109 Ų109100 Ų10054%0.53752%0.516SS..Hα-helixtrans-67.9-33173.1-72.8-66.2-73.300112.1D397 R405D397-M401 VanDerWaalsContact O-CB 3.29Å; D397-M401 WeakPolarHBondContact O-CB 3.47Å; D397-M401 WeakPolarHBondContact O-CG 3.37Å; D397-M401 PolarHBondContact O-N 3.06Å; M401-R405 WeakPolarHBondContact O-CB 3.43Å; M401-R405 PolarHBondContact O-N 2.95Å
402G66.4Low59.8Low30 Ų3092 Ų9231%0.30950%0.498SS..Hα-helixtrans-63.4-47.8168.800000112.1S398 Y400 R405 L406S398-G402 PolarHBondContact O-N 3.43Å; Y400-G402 VanDerWaalsContact C-N 3.32Å; G402-R405 PolarHBondContact O-N 3.3Å; G402-L406 VanDerWaalsContact O-CB 3.27Å; G402-L406 WeakPolarHBondContact O-CB 3.45Å; G402-L406 PolarHBondContact O-N 3.06Å
403Y65.9Low60.8Low127 Ų12791.3 Ų91.350%0.49849%0.494SS..Hα-helixtrans-63.1-42175.4173.9-102.7000112.2T399 Y400 L406 M407T399-Y403 WeakPolarHBondContact O-CB 3.4Å; T399-Y403 PolarHBondContact O-N 3.07Å; Y400-Y403 PolarHBondContact O-N 3.47Å; Y403-L406 PolarHBondContact O-N 2.89Å; Y403-M407 HydrophobicContact CD1-CG 4.22Å; Y403-M407 HydrophobicContact CD2-CG 4.18Å; Y403-M407 HydrophobicContact CE1-CG 3.83Å; Y403-M407 HydrophobicContact CE2-CG 3.79Å; Y403-M407 HydrophobicContact CE2-SD 4.15Å; Y403-M407 HydrophobicContact CG-CG 4.38Å; Y403-M407 VanDerWaalsContact O-CB 3.25Å; Y403-M407 WeakPolarHBondContact O-CB 3.42Å; Y403-M407 WeakPolarHBondContact O-CG 3.46Å; Y403-M407 PolarHBondContact O-N 3.43Å
404M62.3Low62Low96 Ų9689.3 Ų89.347%0.47348%0.479SS..Hα-helixtrans-66.5-37.6176.2-76.1-67.2-6800112.1Y400 G408Y400-M404 HydrophobicContact CD1-CG 4.47Å; Y400-M404 HydrophobicContact CD2-CG 4.3Å; Y400-M404 HydrophobicContact CE1-CG 4.12Å; Y400-M404 HydrophobicContact CE2-CG 3.94Å; Y400-M404 HydrophobicContact CE2-SD 4.3Å; Y400-M404 WeakPolarHBondContact O-CB 3.5Å; Y400-M404 VanDerWaalsContact O-CG 3.26Å; Y400-M404 WeakPolarHBondContact O-CG 3.45Å; Y400-M404 PolarHBondContact O-N 3.44Å; M404-G408 PolarHBondContact O-N 3.03Å
405R72.9Confident63Low163 Ų16387.5 Ų87.562%0.61546%0.463SS*.Hα-helixtrans-64.7-49.2171.2-172.5-171.9-59.8139.27.6110.9M401 G402 M407 G408 E409M401-R405 WeakPolarHBondContact O-CB 3.43Å; M401-R405 PolarHBondContact O-N 2.95Å; G402-R405 PolarHBondContact O-N 3.3Å; R405-M407 VanDerWaalsContact C-N 3.31Å; R405-M407 PolarHBondContact O-N 3.24Å; R405-G408 CarbonylContact O-C 3.49Å; R405-G408 VanDerWaalsContact O-CA 3.32Å; R405-G408 WeakPolarHBondContact O-CA 3.41Å; R405-G408 PolarHBondContact O-N 3.41Å; R405-E409 WeakPolarHBondContact CD-OE1 3.48Å; R405-E409 WeakPolarHBondContact CG-OE1 3.29Å; R405-E409 WeakPolarHBondContact O-CG 3.2Å; R405-E409 PolarHBondContact O-N 2.99Å
406L69.9Low64.2Low95 Ų9583.5 Ų83.550%0.49745%0.447SS..Hα-helixtrans-65.5-32.6-179.6-166146.9000111.9G402 Y403 E409 C410G402-L406 VanDerWaalsContact O-CB 3.27Å; G402-L406 WeakPolarHBondContact O-CB 3.45Å; G402-L406 PolarHBondContact O-N 3.06Å; Y403-L406 PolarHBondContact O-N 2.89Å; L406-E409 PolarHBondContact O-N 3.14Å; L406-C410 VanDerWaalsContact O-CB 3.3Å; L406-C410 WeakPolarHBondContact O-CB 3.45Å; L406-C410 PolarHBondContact O-N 2.93Å; L406-C410 PolarHBondContact O-SG 3.46Å
407M63.1Low65.1Low52 Ų5280.8 Ų80.826%0.25644%0.437SS..Hα-helixtrans-68.7-32.4169-77-73.9-78.300112.4Y403 R405 R411Y403-M407 HydrophobicContact CD1-CG 4.22Å; Y403-M407 HydrophobicContact CD2-CG 4.18Å; Y403-M407 HydrophobicContact CE1-CG 3.83Å; Y403-M407 HydrophobicContact CE2-CG 3.79Å; Y403-M407 HydrophobicContact CE2-SD 4.15Å; Y403-M407 HydrophobicContact CG-CG 4.38Å; Y403-M407 VanDerWaalsContact O-CB 3.25Å; Y403-M407 WeakPolarHBondContact O-CB 3.42Å; Y403-M407 WeakPolarHBondContact O-CG 3.46Å; Y403-M407 PolarHBondContact O-N 3.43Å; R405-M407 VanDerWaalsContact C-N 3.31Å; R405-M407 PolarHBondContact O-N 3.24Å; M407-R411 VanDerWaalsContact O-CB 3.27Å; M407-R411 WeakPolarHBondContact O-CB 3.43Å; M407-R411 PolarHBondContact O-N 3.24Å
408G70.3Confident65.8Low43 Ų4379.5 Ų79.544%0.44343%0.427SS..Hα-helixtrans-69-40.8169.900000112.7M404 R405 R411 G412M404-G408 PolarHBondContact O-N 3.03Å; R405-G408 CarbonylContact O-C 3.49Å; R405-G408 VanDerWaalsContact O-CA 3.32Å; R405-G408 WeakPolarHBondContact O-CA 3.41Å; R405-G408 PolarHBondContact O-N 3.41Å; G408-R411 PolarHBondContact O-N 3.32Å; G408-G412 PolarHBondContact O-N 2.7Å
409E71.1Confident66.5Low110 Ų11082.4 Ų82.451%0.51443%0.425SS..Hα-helixtrans-66.9-44.2174.1-68.6163.2-176.200110.8R405 L406 R411 G412 S413R405-E409 WeakPolarHBondContact CD-OE1 3.48Å; R405-E409 WeakPolarHBondContact CG-OE1 3.29Å; R405-E409 WeakPolarHBondContact O-CG 3.2Å; R405-E409 PolarHBondContact O-N 2.99Å; L406-E409 PolarHBondContact O-N 3.14Å; E409-R411 VanDerWaalsContact C-N 3.34Å; E409-R411 PolarHBondContact O-N 2.98Å; E409-G412 PolarHBondContact O-N 3.43Å; E409-S413 WeakPolarHBondContact O-CB 3.38Å; E409-S413 PolarHBondContact O-N 2.84Å; E409-S413 PolarHBondContact O-OG 3.2Å
410C62.8Low66.9Low52 Ų5280 Ų8035%0.35142%0.415SS..Hα-helixtrans-62.1-39.1171.8-74.10000111.9L406 S413 I414L406-C410 VanDerWaalsContact O-CB 3.3Å; L406-C410 WeakPolarHBondContact O-CB 3.45Å; L406-C410 PolarHBondContact O-N 2.93Å; L406-C410 PolarHBondContact O-SG 3.46Å; C410-S413 WeakPolarHBondContact O-CB 3.23Å; C410-S413 PolarHBondContact O-N 3.31Å; C410-I414 VanDerWaalsContact O-CG1 3.32Å; C410-I414 WeakPolarHBondContact O-CG1 3.45Å; C410-I414 PolarHBondContact O-N 2.87Å
411R70.4Confident66.8Low125 Ų12578.3 Ų78.347%0.47241%0.411SS..Hα-helixtrans-63.4-50.2173.1-179.1-178.3172.5-175.83.3111.1M407 G408 E409 S413 I414 D415 W451M407-R411 VanDerWaalsContact O-CB 3.27Å; M407-R411 WeakPolarHBondContact O-CB 3.43Å; M407-R411 PolarHBondContact O-N 3.24Å; G408-R411 PolarHBondContact O-N 3.32Å; E409-R411 VanDerWaalsContact C-N 3.34Å; E409-R411 PolarHBondContact O-N 2.98Å; R411-S413 PolarHBondContact O-N 3.22Å; R411-I414 PolarHBondContact O-N 2.88Å; R411-I414 VanDerWaalsContact O-N 3.07Å; R411-D415 WeakPolarHBondContact CG-OD2 3.22Å; R411-D415 IonicContact NE-OD2 3.53Å; R411-D415 PolarHBondContact NE-OD2 3.16Å; R411-D415 WeakPolarHBondContact O-CB 3.43Å; R411-D415 PolarHBondContact O-N 3.25Å; R411-W451 HydrophobicContact CB-CH2 4.31Å; R411-W451 HydrophobicContact CB-CZ2 3.81Å; R411-W451 HydrophobicContact CG-CH2 3.74Å; R411-W451 HydrophobicContact CG-CZ2 3.76Å
412G70.1Confident66.5Low41 Ų4174.6 Ų74.642%0.42340%0.4SS..Hα-helixtrans-59.9-29.7175.100000113G408 E409 A416G408-G412 PolarHBondContact O-N 2.7Å; E409-G412 PolarHBondContact O-N 3.43Å; G412-A416 WeakPolarHBondContact O-CB 3.36Å; G412-A416 PolarHBondContact O-N 3.06Å; G412-A416 VanDerWaalsContact O-N 3.1Å
413S69.3Low66.2Low70 Ų7078.6 Ų78.649%0.4941%0.411SS..Hα-helixtrans-71.9-41.7171.9-50.70000112.2E409 C410 R411 A416 V417E409-S413 WeakPolarHBondContact O-CB 3.38Å; E409-S413 PolarHBondContact O-N 2.84Å; E409-S413 PolarHBondContact O-OG 3.2Å; C410-S413 WeakPolarHBondContact O-CB 3.23Å; C410-S413 PolarHBondContact O-N 3.31Å; R411-S413 PolarHBondContact O-N 3.22Å; S413-A416 CarbonylContact O-C 3.58Å; S413-A416 WeakPolarHBondContact O-CB 3.02Å; S413-A416 PolarHBondContact O-N 3.45Å; S413-A416 VanDerWaalsContact O-N 3.17Å; S413-V417 WeakPolarHBondContact O-CG2 3.49Å; S413-V417 PolarHBondContact O-N 3.29Å
414I65Low65.7Low16 Ų1678.5 Ų78.58%0.08242%0.418CS..Hα-helixtrans-65.9-44.2174.9-73.1166.9000110.4C410 R411 A416 V417 K418 I448 W451C410-I414 VanDerWaalsContact O-CG1 3.32Å; C410-I414 WeakPolarHBondContact O-CG1 3.45Å; C410-I414 PolarHBondContact O-N 2.87Å; R411-I414 PolarHBondContact O-N 2.88Å; R411-I414 VanDerWaalsContact O-N 3.07Å; I414-A416 PolarHBondContact O-N 3.36Å; I414-V417 PolarHBondContact O-N 2.84Å; I414-K418 HydrophobicContact CG2-CD 4.16Å; I414-K418 HydrophobicContact CG2-CG 4.42Å; I414-K418 WeakPolarHBondContact O-CB 3.41Å; I414-K418 WeakPolarHBondContact O-CG 3.46Å; I414-K418 PolarHBondContact O-N 3.08Å; I414-I448 HydrophobicContact CD1-CG1 4.35Å; I414-I448 HydrophobicContact CG1-CG1 4.08Å; I414-I448 HydrophobicContact CG2-CD1 4.15Å; I414-I448 HydrophobicContact CG2-CG1 3.89Å; I414-I448 HydrophobicContact CG2-CG2 4.37Å; I414-W451 HydrophobicContact CD1-CB 4.36Å; I414-W451 HydrophobicContact CD1-CD2 4.2Å; I414-W451 HydrophobicContact CD1-CG 4.08Å
415D71.6Confident65.1Low63 Ų6378.8 Ų78.834%0.33743%0.426SS..Hα-helixtrans-68.6-8174.9-66.1-22.9000112.1R411 R419R411-D415 WeakPolarHBondContact CG-OD2 3.22Å; R411-D415 IonicContact NE-OD2 3.53Å; R411-D415 PolarHBondContact NE-OD2 3.16Å; R411-D415 WeakPolarHBondContact O-CB 3.43Å; R411-D415 PolarHBondContact O-N 3.25Å; D415-R419 PolarHBondContact O-NE 2.81Å
416A71.8Confident64.2Low37 Ų3779.1 Ų79.131%0.30644%0.435SS..Hα-helixtrans-96.2-43.816700000112.3G412 S413 I414 K418 R419 A420G412-A416 WeakPolarHBondContact O-CB 3.36Å; G412-A416 PolarHBondContact O-N 3.06Å; G412-A416 VanDerWaalsContact O-N 3.1Å; S413-A416 CarbonylContact O-C 3.58Å; S413-A416 WeakPolarHBondContact O-CB 3.02Å; S413-A416 PolarHBondContact O-N 3.45Å; S413-A416 VanDerWaalsContact O-N 3.17Å; I414-A416 PolarHBondContact O-N 3.36Å; A416-K418 VanDerWaalsContact C-N 3.34Å; A416-K418 PolarHBondContact O-N 3.28Å; A416-R419 PolarHBondContact O-N 3.29Å; A416-R419 VanDerWaalsContact O-N 3.15Å; A416-A420 PolarHBondContact O-N 3.42Å
417V65.1Low63.3Low66 Ų6681.2 Ų81.240%0.445%0.446SS..Hα-helixtrans-57.3-46.5173.7167.40000110.6S413 I414 R419 A420 E421 I448S413-V417 WeakPolarHBondContact O-CG2 3.49Å; S413-V417 PolarHBondContact O-N 3.29Å; I414-V417 PolarHBondContact O-N 2.84Å; V417-R419 VanDerWaalsContact C-N 3.26Å; V417-R419 PolarHBondContact O-N 3.5Å; V417-A420 CarbonylContact O-C 3.53Å; V417-A420 PolarHBondContact O-N 2.92Å; V417-E421 VanDerWaalsContact O-CB 3.27Å; V417-E421 WeakPolarHBondContact O-CB 3.37Å; V417-E421 PolarHBondContact O-N 3.07Å; V417-I448 HydrophobicContact CG1-CD1 4.36Å
418K63.4Low62.7Low75 Ų7587 Ų8733%0.32647%0.472SS..Hα-helixtrans-63.3-26.7177.4-73.5-178.4172-168.90114.5I414 A416 G422 I448 E452I414-K418 HydrophobicContact CG2-CD 4.16Å; I414-K418 HydrophobicContact CG2-CG 4.42Å; I414-K418 WeakPolarHBondContact O-CB 3.41Å; I414-K418 WeakPolarHBondContact O-CG 3.46Å; I414-K418 PolarHBondContact O-N 3.08Å; A416-K418 VanDerWaalsContact C-N 3.34Å; A416-K418 PolarHBondContact O-N 3.28Å; K418-G422 PolarHBondContact O-N 3.33Å; K418-I448 VanDerWaalsContact CE-CG2 3.46Å; K418-I448 HydrophobicContact CG-CD1 4.39Å; K418-E452 IonicContact NZ-OE1 2.67Å; K418-E452 PolarHBondContact NZ-OE1 2.95Å
419R70.3Confident61.8Low145 Ų14592.9 Ų92.955%0.54749%0.494SS..Hα-helixtrans-78.9-42.8173.5-75.6-177-64.3106.40.2111.1D415 A416 V417 E421 G422 E423D415-R419 PolarHBondContact O-NE 2.81Å; A416-R419 PolarHBondContact O-N 3.29Å; A416-R419 VanDerWaalsContact O-N 3.15Å; V417-R419 VanDerWaalsContact C-N 3.26Å; V417-R419 PolarHBondContact O-N 3.5Å; R419-E421 VanDerWaalsContact C-N 3.29Å; R419-E421 PolarHBondContact O-N 3Å; R419-G422 PolarHBondContact O-N 2.89Å; R419-E423 WeakPolarHBondContact O-CB 3.36Å; R419-E423 WeakPolarHBondContact O-CG 3.47Å; R419-E423 PolarHBondContact O-N 2.63Å
420A62.1Low60.8Low41 Ų4195 Ų9534%0.33951%0.508SS..Hα-helixtrans-63-35.3172.800000112.3A416 V417 L424A416-A420 PolarHBondContact O-N 3.42Å; V417-A420 CarbonylContact O-C 3.53Å; V417-A420 PolarHBondContact O-N 2.92Å; A420-L424 VanDerWaalsContact O-CB 3.25Å; A420-L424 WeakPolarHBondContact O-CB 3.47Å; A420-L424 WeakPolarHBondContact O-CD1 3.36Å; A420-L424 WeakPolarHBondContact O-CG 3.49Å; A420-L424 PolarHBondContact O-N 2.93Å
421E55.5Low59.8Low88 Ų88100.2 Ų100.241%0.41153%0.532SS..Hα-helixtrans-62.1-48.8172.5-175.1175.5-161.600110.5V417 R419 L424 T425V417-E421 VanDerWaalsContact O-CB 3.27Å; V417-E421 WeakPolarHBondContact O-CB 3.37Å; V417-E421 PolarHBondContact O-N 3.07Å; R419-E421 VanDerWaalsContact C-N 3.29Å; R419-E421 PolarHBondContact O-N 3Å; E421-L424 PolarHBondContact O-N 3.24Å; E421-T425 WeakPolarHBondContact O-CG2 3.24Å; E421-T425 PolarHBondContact O-N 3.06Å; E421-T425 PolarHBondContact O-OG1 3.28Å
422G58.1Low58.8Low31 Ų31100.4 Ų100.432%0.3255%0.549SS..Hα-helixtrans-60.4-49.2172.900000113.5K418 R419 L424 T425 E426K418-G422 PolarHBondContact O-N 3.33Å; R419-G422 PolarHBondContact O-N 2.89Å; G422-L424 VanDerWaalsContact C-N 3.32Å; G422-L424 PolarHBondContact O-N 3.03Å; G422-T425 WeakPolarHBondContact CA-OG1 3.15Å; G422-T425 PolarHBondContact O-N 2.92Å; G422-T425 VanDerWaalsContact O-N 3.12Å; G422-T425 PolarHBondContact O-OG1 2.75Å; G422-E426 PolarHBondContact O-N 3.28Å
423E60Low57.8Low115 Ų115101.8 Ų101.854%0.53756%0.564SS.*Hα-helixtrans-60-38.6178.1-71.7160.1-169.200111.5R419 E426R419-E423 WeakPolarHBondContact O-CB 3.36Å; R419-E423 WeakPolarHBondContact O-CG 3.47Å; R419-E423 PolarHBondContact O-N 2.63Å; E423-E426 PolarHBondContact O-N 3.37Å
424L54.2Low56.5Low124 Ų124106.6 Ų106.665%0.64958%0.584SS**Hα-helixtrans-70.4-31.9174.8-74.7166.6000113.1A420 E421 G422 E426A420-L424 VanDerWaalsContact O-CB 3.25Å; A420-L424 WeakPolarHBondContact O-CB 3.47Å; A420-L424 WeakPolarHBondContact O-CD1 3.36Å; A420-L424 WeakPolarHBondContact O-CG 3.49Å; A420-L424 PolarHBondContact O-N 2.93Å; E421-L424 PolarHBondContact O-N 3.24Å; G422-L424 VanDerWaalsContact C-N 3.32Å; G422-L424 PolarHBondContact O-N 3.03Å; L424-E426 VanDerWaalsContact C-N 3.28Å; L424-E426 PolarHBondContact O-N 3.16Å
425T51.3Low55.6Low102 Ų102112.3 Ų112.363%0.62662%0.619SS**Hα-helixtrans-75.1-11.2175.6550000114.5E421 G422E421-T425 WeakPolarHBondContact O-CG2 3.24Å; E421-T425 PolarHBondContact O-N 3.06Å; E421-T425 PolarHBondContact O-OG1 3.28Å; G422-T425 WeakPolarHBondContact CA-OG1 3.15Å; G422-T425 PolarHBondContact O-N 2.92Å; G422-T425 VanDerWaalsContact O-N 3.12Å; G422-T425 PolarHBondContact O-OG1 2.75Å
426E52.7Low54.5Low171 Ų171116.8 Ų116.880%0.79964%0.643SS**Hα-helixtrans-88.7-20.1174.3-69-170.6161.700113.2G422 E423 L424G422-E426 PolarHBondContact O-N 3.28Å; E423-E426 PolarHBondContact O-N 3.37Å; L424-E426 VanDerWaalsContact C-N 3.28Å; L424-E426 PolarHBondContact O-N 3.16Å
427D50.8Low53.2Low139 Ų139118.6 Ų118.674%0.74365%0.654SS**SBendtrans-101.1-3.8-178-88-19.2000114.4D429D427-D429 VanDerWaalsContact C-N 3.25Å; D427-D429 PolarHBondContact O-N 2.83Å; D427-D429 VanDerWaalsContact O-N 3.13Å
428E50.5Low52.4Low172 Ų172120 Ų12080%0.80466%0.662SS**THydrogen-bonded Turntrans-76.94.5-168.8-134-171.2-172.900116.1
429D51.7Low51.7Low167 Ų167120.2 Ų120.289%0.89367%0.674SS**THydrogen-bonded Turntrans-83.6-8.5-177.5-124.8-0.7000113.7D427D427-D429 VanDerWaalsContact C-N 3.25Å; D427-D429 PolarHBondContact O-N 2.83Å; D427-D429 VanDerWaalsContact O-N 3.13Å
430D49.8Very low50.8Low154 Ų154118 Ų11882%0.82468%0.676SS**SBendtrans-138.7112.1-178.4-126.1-28.8000114.2
431L42.9Very low50.3Low163 Ų163121.1 Ų121.185%0.85368%0.684SS**  trans104.5108.3166.2-161.773.7000118.6
432P48.6Very low50.2Low128 Ų128121.2 Ų121.283%0.83169%0.69SS**  trans-89.412817733.6-32.5000113.4
433G49.8Very low50.1Low71 Ų71125.8 Ų125.873%0.73270%0.704SS**  trans171.417.9170.900000124.1
434L41.2Very low50Low171 Ų171122.6 Ų122.690%0.89569%0.694SS**  trans-136.578.5173.9-83178.9000114.3N436L434-N436 PolarHBondContact O-N 3.32Å
435T45.8Very low50.4Low135 Ų135119.2 Ų119.283%0.82868%0.678SS**THydrogen-bonded Turntrans-75.9100.6173.753.90000112
436N49.2Very low51.3Low157 Ų157114.9 Ų114.984%0.8465%0.654SS**THydrogen-bonded Turntrans-1739.6151.5-98.1-24.3000117L434L434-N436 PolarHBondContact O-N 3.32Å
437S44.5Very low52.2Low76 Ų76110.2 Ų110.253%0.53164%0.637SS.*  trans-81.4-19.9-171.9-52.80000116.7S439 T440 E441S437-S439 PolarHBondContact O-N 3.19Å; S437-T440 PolarHBondContact O-N 3.37Å; S437-T440 VanDerWaalsContact O-N 3.12Å; S437-T440 PolarHBondContact O-OG1 2.87Å; S437-E441 PolarHBondContact O-N 3.19Å
438T48.9Very low53.2Low95 Ų95104.2 Ų104.258%0.58361%0.605SS**Hα-helixtrans-62.2-20.4-164.8-35.30000115.1T442T438-T442 WeakPolarHBondContact O-CG2 3.38Å; T438-T442 PolarHBondContact O-N 3.49Å; T438-T442 PolarHBondContact O-OG1 2.81Å
439S48.2Very low54.3Low80 Ų80101.8 Ų101.856%0.55959%0.593SS**Hα-helixtrans-78.4-28.7179.7-171.90000113.5S437 Q443S437-S439 PolarHBondContact O-N 3.19Å; S439-Q443 WeakPolarHBondContact O-CG 3.26Å; S439-Q443 PolarHBondContact O-NE2 3.44Å
440T50Low55.4Low98 Ų98100.9 Ų100.960%0.60158%0.577SS**Hα-helixtrans-82.2-4417618.20000111.5S437 Q443 S444S437-T440 PolarHBondContact O-N 3.37Å; S437-T440 VanDerWaalsContact O-N 3.12Å; S437-T440 PolarHBondContact O-OG1 2.87Å; T440-Q443 WeakPolarHBondContact O-CA 3.38Å; T440-Q443 WeakPolarHBondContact O-CB 3.25Å; T440-Q443 PolarHBondContact O-N 2.98Å; T440-S444 PolarHBondContact O-N 3.02Å; T440-S444 PolarHBondContact O-OG 3.4Å; T440-S444 VanDerWaalsContact O-OG 3.1Å
441E52.2Low56.5Low107 Ų10795.5 Ų95.550%0.555%0.545SS..Hα-helixtrans-54.3-55179.5-177.6171.9-123.100112.3S437 Q443 S444 T445S437-E441 PolarHBondContact O-N 3.19Å; E441-Q443 PolarHBondContact O-N 3.03Å; E441-Q443 VanDerWaalsContact O-N 3.16Å; E441-S444 WeakPolarHBondContact CA-OG 3.47Å; E441-S444 PolarHBondContact O-N 2.72Å; E441-S444 PolarHBondContact O-OG 3.45Å; E441-T445 PolarHBondContact O-N 3.35Å; E441-T445 PolarHBondContact O-OG1 3.43Å; E441-T445 VanDerWaalsContact O-OG1 3.08Å
442T54.6Low58.2Low89 Ų8991.5 Ų91.555%0.54652%0.522SS..Hα-helixtrans-60.9-24.3175.848.80000114.1T438 G446T438-T442 WeakPolarHBondContact O-CG2 3.38Å; T438-T442 PolarHBondContact O-N 3.49Å; T438-T442 PolarHBondContact O-OG1 2.81Å; T442-G446 PolarHBondContact O-N 3.23Å
443Q56Low59.7Low128 Ų12890.1 Ų90.160%0.59851%0.508SS*.Hα-helixtrans-80.2-39.2173.1-71.4179.359.600112.3S439 T440 E441 V447S439-Q443 WeakPolarHBondContact O-CG 3.26Å; S439-Q443 PolarHBondContact O-NE2 3.44Å; T440-Q443 WeakPolarHBondContact O-CA 3.38Å; T440-Q443 WeakPolarHBondContact O-CB 3.25Å; T440-Q443 PolarHBondContact O-N 2.98Å; E441-Q443 PolarHBondContact O-N 3.03Å; E441-Q443 VanDerWaalsContact O-N 3.16Å; Q443-V447 WeakPolarHBondContact O-CG2 3.31Å; Q443-V447 PolarHBondContact O-N 2.98Å; Q443-V447 VanDerWaalsContact O-N 3.1Å
444S57Low61.1Low48 Ų4891.7 Ų91.734%0.33650%0.498SS..Hα-helixtrans-63.2-49.9173.630.10000112.2T440 E441 G446 V447 I448T440-S444 PolarHBondContact O-N 3.02Å; T440-S444 PolarHBondContact O-OG 3.4Å; T440-S444 VanDerWaalsContact O-OG 3.1Å; E441-S444 WeakPolarHBondContact CA-OG 3.47Å; E441-S444 PolarHBondContact O-N 2.72Å; E441-S444 PolarHBondContact O-OG 3.45Å; S444-G446 VanDerWaalsContact C-N 3.33Å; S444-G446 PolarHBondContact O-N 3.17Å; S444-V447 WeakPolarHBondContact O-CB 3.42Å; S444-V447 PolarHBondContact O-N 3.48Å; S444-I448 WeakPolarHBondContact O-CG1 3.13Å; S444-I448 PolarHBondContact O-N 2.95Å
445T62.3Low62.8Low53 Ų5387.3 Ų87.333%0.32547%0.473SS..Hα-helixtrans-57.6-47.2179-44.70000110.7E441 V447 I448 E449E441-T445 PolarHBondContact O-N 3.35Å; E441-T445 PolarHBondContact O-OG1 3.43Å; E441-T445 VanDerWaalsContact O-OG1 3.08Å; T445-V447 VanDerWaalsContact C-N 3.29Å; T445-V447 PolarHBondContact O-N 3.2Å; T445-I448 WeakPolarHBondContact O-CB 3.5Å; T445-I448 PolarHBondContact O-N 3.21Å; T445-I448 VanDerWaalsContact O-N 3.07Å; T445-E449 WeakPolarHBondContact O-CG 3.41Å; T445-E449 PolarHBondContact O-N 3.1Å
446G70.2Confident64.1Low11 Ų1183.6 Ų83.611%0.11346%0.456CS..Hα-helixtrans-65-25.4177.200000114.8T442 S444 R450T442-G446 PolarHBondContact O-N 3.23Å; S444-G446 VanDerWaalsContact C-N 3.33Å; S444-G446 PolarHBondContact O-N 3.17Å; G446-R450 WeakPolarHBondContact O-CG 3.27Å; G446-R450 PolarHBondContact O-N 3.39Å; G446-R450 PolarHBondContact O-NE 3.1Å; G446-R450 PolarHBondContact O-NH1 3.01Å
447V72.9Confident65.3Low72 Ų7280.7 Ų80.744%0.43644%0.438SS..Hα-helixtrans-72.6-42.7170.2168.50000110.7Q443 S444 T445 R450 W451Q443-V447 WeakPolarHBondContact O-CG2 3.31Å; Q443-V447 PolarHBondContact O-N 2.98Å; Q443-V447 VanDerWaalsContact O-N 3.1Å; S444-V447 WeakPolarHBondContact O-CB 3.42Å; S444-V447 PolarHBondContact O-N 3.48Å; T445-V447 VanDerWaalsContact C-N 3.29Å; T445-V447 PolarHBondContact O-N 3.2Å; V447-R450 VanDerWaalsContact CG2-NH2 3.32Å; V447-R450 PolarHBondContact O-N 3.34Å; V447-W451 WeakPolarHBondContact O-CB 3.41Å; V447-W451 PolarHBondContact O-N 3.33Å
448I71.4Confident66.9Low13 Ų1378.9 Ų78.97%0.06743%0.425CS..Hα-helixtrans-62.5-50.2178.8-66.9169.6000110.5I414 V417 K418 S444 T445 R450 W451 E452I414-I448 HydrophobicContact CD1-CG1 4.35Å; I414-I448 HydrophobicContact CG1-CG1 4.08Å; I414-I448 HydrophobicContact CG2-CD1 4.15Å; I414-I448 HydrophobicContact CG2-CG1 3.89Å; I414-I448 HydrophobicContact CG2-CG2 4.37Å; V417-I448 HydrophobicContact CG1-CD1 4.36Å; K418-I448 VanDerWaalsContact CE-CG2 3.46Å; K418-I448 HydrophobicContact CG-CD1 4.39Å; S444-I448 WeakPolarHBondContact O-CG1 3.13Å; S444-I448 PolarHBondContact O-N 2.95Å; T445-I448 WeakPolarHBondContact O-CB 3.5Å; T445-I448 PolarHBondContact O-N 3.21Å; T445-I448 VanDerWaalsContact O-N 3.07Å; I448-R450 VanDerWaalsContact C-N 3.29Å; I448-R450 PolarHBondContact O-N 2.87Å; I448-W451 WeakPolarHBondContact O-CB 3.47Å; I448-W451 PolarHBondContact O-N 3.07Å; I448-E452 HydrophobicContact CG2-CG 4.35Å; I448-E452 WeakPolarHBondContact O-CG 3.43Å; I448-E452 PolarHBondContact O-N 3.32Å
449E72.4Confident68.3Low121 Ų12179.5 Ų79.557%0.56542%0.424SS*.Hα-helixtrans-53.4-43.9176.3-72174.3167.300112.5T445 L453T445-E449 WeakPolarHBondContact O-CG 3.41Å; T445-E449 PolarHBondContact O-N 3.1Å; E449-L453 VanDerWaalsContact O-CB 3.29Å; E449-L453 WeakPolarHBondContact O-CB 3.19Å; E449-L453 PolarHBondContact O-N 3.22Å
450R75.5Confident69.7Low148 Ų14879.6 Ų79.656%0.55843%0.425SS*.Hα-helixtrans-68.5-37.5177.8-72.3-172.9-58.9-91.84.1112.3G446 V447 I448 I454G446-R450 WeakPolarHBondContact O-CG 3.27Å; G446-R450 PolarHBondContact O-N 3.39Å; G446-R450 PolarHBondContact O-NE 3.1Å; G446-R450 PolarHBondContact O-NH1 3.01Å; V447-R450 VanDerWaalsContact CG2-NH2 3.32Å; V447-R450 PolarHBondContact O-N 3.34Å; I448-R450 VanDerWaalsContact C-N 3.29Å; I448-R450 PolarHBondContact O-N 2.87Å; R450-I454 WeakPolarHBondContact O-CD1 3.3Å; R450-I454 VanDerWaalsContact O-CG1 3.26Å; R450-I454 WeakPolarHBondContact O-CG1 3.45Å; R450-I454 PolarHBondContact O-N 3.41Å
451W73.4Confident71.1Confident41 Ų4181.2 Ų81.216%0.15543%0.425CS..Hα-helixtrans-67.5-43.5177.1-176.291.1000111.5R411 I414 V447 I448 I454 Q455R411-W451 HydrophobicContact CB-CH2 4.31Å; R411-W451 HydrophobicContact CB-CZ2 3.81Å; R411-W451 HydrophobicContact CG-CH2 3.74Å; R411-W451 HydrophobicContact CG-CZ2 3.76Å; I414-W451 HydrophobicContact CD1-CB 4.36Å; I414-W451 HydrophobicContact CD1-CD2 4.2Å; I414-W451 HydrophobicContact CD1-CG 4.08Å; V447-W451 WeakPolarHBondContact O-CB 3.41Å; V447-W451 PolarHBondContact O-N 3.33Å; I448-W451 WeakPolarHBondContact O-CB 3.47Å; I448-W451 PolarHBondContact O-N 3.07Å; W451-I454 PolarHBondContact O-N 3.47Å; W451-Q455 WeakPolarHBondContact O-CB 3.39Å; W451-Q455 PolarHBondContact O-N 2.93Å
452E78.4Confident72.5Confident79 Ų7982.1 Ų82.137%0.36943%0.428SS..Hα-helixtrans-64.5-41.2175.1-69.7-177.1162.600112.1K418 I448 I454 Q455 A456K418-E452 IonicContact NZ-OE1 2.67Å; K418-E452 PolarHBondContact NZ-OE1 2.95Å; I448-E452 HydrophobicContact CG2-CG 4.35Å; I448-E452 WeakPolarHBondContact O-CG 3.43Å; I448-E452 PolarHBondContact O-N 3.32Å; E452-I454 PolarHBondContact O-N 3.44Å; E452-Q455 PolarHBondContact O-N 3Å; E452-A456 WeakPolarHBondContact O-CB 3.41Å; E452-A456 PolarHBondContact O-N 2.88Å
453L79.4Confident73.6Confident100 Ų10084.1 Ų84.152%0.52443%0.431SS..Hα-helixtrans-60.4-45.3174.6179.561.6000111.8E449 A456 Q457E449-L453 VanDerWaalsContact O-CB 3.29Å; E449-L453 WeakPolarHBondContact O-CB 3.19Å; E449-L453 PolarHBondContact O-N 3.22Å; L453-A456 PolarHBondContact O-N 2.95Å; L453-Q457 WeakPolarHBondContact O-CB 3.28Å; L453-Q457 VanDerWaalsContact O-CG 3.23Å; L453-Q457 WeakPolarHBondContact O-CG 3.13Å; L453-Q457 PolarHBondContact O-N 3.19Å
454I79.9Confident74.8Confident103 Ų10384.1 Ų84.153%0.52843%0.429SS..Hα-helixtrans-66.3-38.2176.9-69.3165.7000110.9R450 W451 E452 Q457 S458R450-I454 WeakPolarHBondContact O-CD1 3.3Å; R450-I454 VanDerWaalsContact O-CG1 3.26Å; R450-I454 WeakPolarHBondContact O-CG1 3.45Å; R450-I454 PolarHBondContact O-N 3.41Å; W451-I454 PolarHBondContact O-N 3.47Å; E452-I454 PolarHBondContact O-N 3.44Å; I454-Q457 PolarHBondContact O-N 3.04Å; I454-S458 PolarHBondContact O-N 3.34Å
455Q75.8Confident75.9Confident79 Ų7988.8 Ų88.837%0.36945%0.445SS..Hα-helixtrans-64.4-45.2175.3-170.4179.45200111.5W451 E452 S458 L459W451-Q455 WeakPolarHBondContact O-CB 3.39Å; W451-Q455 PolarHBondContact O-N 2.93Å; E452-Q455 PolarHBondContact O-N 3Å; Q455-S458 PolarHBondContact O-N 3.11Å; Q455-L459 HydrophobicContact CG-CD1 4.24Å; Q455-L459 WeakPolarHBondContact O-CB 3.39Å; Q455-L459 VanDerWaalsContact O-CG 3.31Å; Q455-L459 WeakPolarHBondContact O-CG 3.37Å; Q455-L459 PolarHBondContact O-N 3.04Å
456A72.9Confident76.9Confident58 Ų5892.7 Ų92.748%0.47946%0.458SS..Hα-helixtrans-63.4-40.417600000112.1E452 L453 L459 S460E452-A456 WeakPolarHBondContact O-CB 3.41Å; E452-A456 PolarHBondContact O-N 2.88Å; L453-A456 PolarHBondContact O-N 2.95Å; A456-L459 PolarHBondContact O-N 2.76Å; A456-S460 VanDerWaalsContact O-CB 3.3Å; A456-S460 WeakPolarHBondContact O-CB 3.4Å; A456-S460 PolarHBondContact O-N 2.97Å
457Q75.3Confident77.6Confident96 Ų9696.3 Ų96.345%0.44947%0.472SS..Hα-helixtrans-60.3-51.5172.6-75.4169-5.400111.2L453 I454 L459 S460 E461L453-Q457 WeakPolarHBondContact O-CB 3.28Å; L453-Q457 VanDerWaalsContact O-CG 3.23Å; L453-Q457 WeakPolarHBondContact O-CG 3.13Å; L453-Q457 PolarHBondContact O-N 3.19Å; I454-Q457 PolarHBondContact O-N 3.04Å; Q457-L459 VanDerWaalsContact C-N 3.3Å; Q457-L459 PolarHBondContact O-N 2.91Å; Q457-S460 WeakPolarHBondContact O-CB 3.49Å; Q457-S460 PolarHBondContact O-N 3.44Å; Q457-S460 VanDerWaalsContact O-N 3.11Å; Q457-E461 WeakPolarHBondContact O-CG 3.49Å; Q457-E461 PolarHBondContact O-N 3.4Å
458S78.7Confident78.1Confident38 Ų3895.8 Ų95.827%0.26647%0.466SS..Hα-helixtrans-62.1-35.3179.2-171.40000113.1I454 Q455 K462I454-S458 PolarHBondContact O-N 3.34Å; Q455-S458 PolarHBondContact O-N 3.11Å; S458-K462 WeakPolarHBondContact O-CB 3.27Å; S458-K462 WeakPolarHBondContact O-CD 3.21Å; S458-K462 VanDerWaalsContact O-CG 3.25Å; S458-K462 WeakPolarHBondContact O-CG 3.43Å; S458-K462 PolarHBondContact O-N 2.72Å; S458-K462 PolarHBondContact OG-NZ 3.45Å
459L77.1Confident78.8Confident108 Ų10899.7 Ų99.757%0.56549%0.487SS*.Hα-helixtrans-69.7-40.3174.3-71.6171.4000111.9Q455 A456 Q457 K462 H463Q455-L459 HydrophobicContact CG-CD1 4.24Å; Q455-L459 WeakPolarHBondContact O-CB 3.39Å; Q455-L459 VanDerWaalsContact O-CG 3.31Å; Q455-L459 WeakPolarHBondContact O-CG 3.37Å; Q455-L459 PolarHBondContact O-N 3.04Å; A456-L459 PolarHBondContact O-N 2.76Å; Q457-L459 VanDerWaalsContact C-N 3.3Å; Q457-L459 PolarHBondContact O-N 2.91Å; L459-K462 PolarHBondContact O-N 3.41Å; L459-H463 WeakPolarHBondContact O-CB 3.48Å; L459-H463 PolarHBondContact O-N 2.97Å
460S79Confident79.6Confident82 Ų8299.3 Ų99.357%0.57349%0.485SS*.Hα-helixtrans-63.5-43174.5-173.30000112A456 Q457 H463 K464A456-S460 VanDerWaalsContact O-CB 3.3Å; A456-S460 WeakPolarHBondContact O-CB 3.4Å; A456-S460 PolarHBondContact O-N 2.97Å; Q457-S460 WeakPolarHBondContact O-CB 3.49Å; Q457-S460 PolarHBondContact O-N 3.44Å; Q457-S460 VanDerWaalsContact O-N 3.11Å; S460-H463 PolarHBondContact O-N 2.89Å; S460-K464 WeakPolarHBondContact O-CB 3.19Å; S460-K464 PolarHBondContact O-N 3.36Å
461E78.4Confident80.1Confident131 Ų13196.7 Ų96.761%0.61248%0.479SS*.Hα-helixtrans-63.3-45.7175.5-72.9174.7159.500112Q457 H463 K464 Q465Q457-E461 WeakPolarHBondContact O-CG 3.49Å; Q457-E461 PolarHBondContact O-N 3.4Å; E461-H463 VanDerWaalsContact C-N 3.32Å; E461-H463 PolarHBondContact O-N 3.24Å; E461-K464 PolarHBondContact O-N 3.14Å; E461-Q465 WeakPolarHBondContact O-CB 3.45Å; E461-Q465 PolarHBondContact O-N 3.01Å
462K81.2Confident80.9Confident126 Ų12698.2 Ų98.255%0.54849%0.485SS..Hα-helixtrans-62.1-38.2174.9-75163.8-178.2149.90112.2S458 L459 K466S458-K462 WeakPolarHBondContact O-CB 3.27Å; S458-K462 WeakPolarHBondContact O-CD 3.21Å; S458-K462 VanDerWaalsContact O-CG 3.25Å; S458-K462 WeakPolarHBondContact O-CG 3.43Å; S458-K462 PolarHBondContact O-N 2.72Å; S458-K462 PolarHBondContact OG-NZ 3.45Å; L459-K462 PolarHBondContact O-N 3.41Å; K462-K466 WeakPolarHBondContact O-CB 3.44Å; K462-K466 PolarHBondContact O-N 3.36Å; K462-K466 VanDerWaalsContact O-N 3.08Å
463H79Confident81.4Confident132 Ų132100 Ų10061%0.61149%0.494SS*.Hα-helixtrans-65.1-48.6174.6-171.583.8000111.3L459 S460 E461 Q465 K466 Q467L459-H463 WeakPolarHBondContact O-CB 3.48Å; L459-H463 PolarHBondContact O-N 2.97Å; S460-H463 PolarHBondContact O-N 2.89Å; E461-H463 VanDerWaalsContact C-N 3.32Å; E461-H463 PolarHBondContact O-N 3.24Å; H463-Q465 PolarHBondContact O-N 3.33Å; H463-K466 PolarHBondContact O-N 3.12Å; H463-Q467 PolarHBondContact O-N 2.56Å
464K81.2Confident82Confident127 Ų127100.5 Ų100.555%0.55249%0.493SS*.Hα-helixtrans-59.5-44.7176-174.6-176.5177.6-171.80112S460 E461 K466 Q467 N468S460-K464 WeakPolarHBondContact O-CB 3.19Å; S460-K464 PolarHBondContact O-N 3.36Å; E461-K464 PolarHBondContact O-N 3.14Å; K464-K466 VanDerWaalsContact C-N 3.32Å; K464-K466 PolarHBondContact O-N 3.48Å; K464-Q467 PolarHBondContact O-N 3.08Å; K464-N468 WeakPolarHBondContact O-CB 3.26Å; K464-N468 PolarHBondContact O-N 3.39Å; K464-N468 PolarHBondContact O-OD1 3.14Å; K464-N468 VanDerWaalsContact O-OD1 3.06Å
465Q79.3Confident82.6Confident147 Ų14795.7 Ų95.769%0.68747%0.468SS*.Hα-helixtrans-63.2-39.1178.5-167.917820.700111.7E461 H463 L469E461-Q465 WeakPolarHBondContact O-CB 3.45Å; E461-Q465 PolarHBondContact O-N 3.01Å; H463-Q465 PolarHBondContact O-N 3.33Å; Q465-L469 WeakPolarHBondContact O-CB 3.45Å; Q465-L469 PolarHBondContact O-N 3.03Å
466K84.2Confident83.4Confident134 Ų13493.5 Ų93.558%0.58346%0.459SS*.Hα-helixtrans-65.3-42.6173-174.2177.5179-179.70112K462 H463 K464 L469 Q470K462-K466 WeakPolarHBondContact O-CB 3.44Å; K462-K466 PolarHBondContact O-N 3.36Å; K462-K466 VanDerWaalsContact O-N 3.08Å; H463-K466 PolarHBondContact O-N 3.12Å; K464-K466 VanDerWaalsContact C-N 3.32Å; K464-K466 PolarHBondContact O-N 3.48Å; K466-L469 PolarHBondContact O-N 2.93Å; K466-Q470 WeakPolarHBondContact O-CG 3.39Å; K466-Q470 PolarHBondContact O-N 3.11Å; K466-Q470 VanDerWaalsContact O-N 3.08Å
467Q84.1Confident84.4Confident87 Ų8793.4 Ų93.441%0.40746%0.455SS..Hα-helixtrans-62.1-48176.5-177.3179.22.800111.6H463 K464 L469 Q470 Q471H463-Q467 PolarHBondContact O-N 2.56Å; K464-Q467 PolarHBondContact O-N 3.08Å; Q467-L469 VanDerWaalsContact C-N 3.3Å; Q467-L469 PolarHBondContact O-N 3.46Å; Q467-Q470 PolarHBondContact O-N 3.1Å; Q467-Q470 VanDerWaalsContact O-N 3.16Å; Q467-Q471 WeakPolarHBondContact O-CG 3.42Å; Q467-Q471 PolarHBondContact O-N 3.48Å
468N83.5Confident85.2Confident61 Ų6191 Ų9133%0.32645%0.445SS..Hα-helixtrans-57.7-41.7175.8-77.234.9000111.7K464 Q471 W472 F539K464-N468 WeakPolarHBondContact O-CB 3.26Å; K464-N468 PolarHBondContact O-N 3.39Å; K464-N468 PolarHBondContact O-OD1 3.14Å; K464-N468 VanDerWaalsContact O-OD1 3.06Å; N468-Q471 PolarHBondContact O-N 3.13Å; N468-W472 WeakPolarHBondContact O-CB 3.49Å; N468-W472 PolarHBondContact O-N 3.38Å; N468-F539 HydrophobicContact CB-CE1 4.48Å
469L86.7Confident85.9Confident95 Ų9589.6 Ų89.650%0.49744%0.435SS..Hα-helixtrans-64.1-40.3176.9179.962.3000112.2Q465 K466 Q467 W472 Q473Q465-L469 WeakPolarHBondContact O-CB 3.45Å; Q465-L469 PolarHBondContact O-N 3.03Å; K466-L469 PolarHBondContact O-N 2.93Å; Q467-L469 VanDerWaalsContact C-N 3.3Å; Q467-L469 PolarHBondContact O-N 3.46Å; L469-W472 PolarHBondContact O-N 2.92Å; L469-Q473 VanDerWaalsContact O-CG 3.3Å; L469-Q473 WeakPolarHBondContact O-CG 3.49Å; L469-Q473 PolarHBondContact O-N 2.88Å
470Q88.1Confident86.7Confident114 Ų11490.1 Ų90.153%0.53343%0.434SS..Hα-helixtrans-67.1-41.3175.8-69.4178.5-6700111.7K466 Q467 Q473 Q474K466-Q470 WeakPolarHBondContact O-CG 3.39Å; K466-Q470 PolarHBondContact O-N 3.11Å; K466-Q470 VanDerWaalsContact O-N 3.08Å; Q467-Q470 PolarHBondContact O-N 3.1Å; Q467-Q470 VanDerWaalsContact O-N 3.16Å; Q470-Q473 PolarHBondContact O-N 3.14Å; Q470-Q474 PolarHBondContact O-N 3.13Å
471Q87.6Confident87.5Confident93 Ų9390 Ų9044%0.43543%0.43SS..Hα-helixtrans-64.5-38.3175.2-72.9172.4-40.600112.1Q467 N468 Q474 L475 F539Q467-Q471 WeakPolarHBondContact O-CG 3.42Å; Q467-Q471 PolarHBondContact O-N 3.48Å; N468-Q471 PolarHBondContact O-N 3.13Å; Q471-Q474 PolarHBondContact O-N 2.91Å; Q471-L475 WeakPolarHBondContact O-CB 3.16Å; Q471-L475 PolarHBondContact O-N 3.01Å; Q471-F539 HydrophobicContact CB-CE2 4.37Å; Q471-F539 HydrophobicContact CB-CZ 3.79Å
472W88.6Confident88.3Confident73 Ų7383.8 Ų83.828%0.27740%0.401SS..Hα-helixtrans-63.7-45.8173.3177.8-96.5000111.9N468 L469 Q474 L475 I476 F539 E548 L552N468-W472 WeakPolarHBondContact O-CB 3.49Å; N468-W472 PolarHBondContact O-N 3.38Å; L469-W472 PolarHBondContact O-N 2.92Å; W472-Q474 VanDerWaalsContact C-N 3.31Å; W472-Q474 PolarHBondContact O-N 3.46Å; W472-L475 PolarHBondContact O-N 3.29Å; W472-I476 HydrophobicContact CD2-CG1 4.46Å; W472-I476 HydrophobicContact CZ2-CD1 4.14Å; W472-I476 HydrophobicContact CZ2-CG1 4.38Å; W472-I476 WeakPolarHBondContact O-CG1 3.47Å; W472-I476 PolarHBondContact O-N 3.24Å; W472-F539 HydrophobicContact CB-CE1 4Å; W472-F539 HydrophobicContact CB-CZ 4Å; W472-F539 HydrophobicContact CE3-CB 4.09Å; W472-F539 AromaticContact CE3-CD1 3.75Å; W472-F539 HydrophobicContact CE3-CD1 3.75Å; W472-F539 HydrophobicContact CE3-CD2 4.1Å; W472-F539 HydrophobicContact CE3-CE1 4.18Å; W472-F539 HydrophobicContact CE3-CE2 4.5Å; W472-F539 AromaticContact CE3-CG 3.71Å; W472-F539 HydrophobicContact CE3-CG 3.71Å; W472-F539 HydrophobicContact CZ3-CB 3.91Å; W472-F539 HydrophobicContact CZ3-CD1 4.37Å; W472-F539 HydrophobicContact CZ3-CG 4.06Å; W472-E548 HydrophobicContact CH2-CB 4.34Å; W472-E548 HydrophobicContact CZ2-CB 4.35Å; W472-L552 HydrophobicContact CH2-CB 4.29Å; W472-L552 HydrophobicContact CH2-CD2 3.93Å; W472-L552 HydrophobicContact CZ3-CD2 3.58Å
473Q89.5Confident89Confident117 Ų11784.1 Ų84.155%0.54740%0.399SS..Hα-helixtrans-60.1-41.2176.3-74.6172-1600112L469 Q470 S477L469-Q473 VanDerWaalsContact O-CG 3.3Å; L469-Q473 WeakPolarHBondContact O-CG 3.49Å; L469-Q473 PolarHBondContact O-N 2.88Å; Q470-Q473 PolarHBondContact O-N 3.14Å; Q473-S477 PolarHBondContact O-N 3.42Å; Q473-S477 VanDerWaalsContact O-N 3.1Å
474Q91.6Very high89.7Confident109 Ų10980.2 Ų80.251%0.50939%0.39SS..Hα-helixtrans-62.9-51.8174.6-168.865.253.900111.5Q470 Q471 W472 I476 S477 D478Q470-Q474 PolarHBondContact O-N 3.13Å; Q471-Q474 PolarHBondContact O-N 2.91Å; W472-Q474 VanDerWaalsContact C-N 3.31Å; W472-Q474 PolarHBondContact O-N 3.46Å; Q474-I476 VanDerWaalsContact C-N 3.28Å; Q474-I476 PolarHBondContact O-N 2.76Å; Q474-S477 WeakPolarHBondContact O-CA 3.46Å; Q474-S477 WeakPolarHBondContact O-CB 3.3Å; Q474-S477 PolarHBondContact O-N 2.9Å; Q474-D478 PolarHBondContact NE2-OD1 2.89Å; Q474-D478 PolarHBondContact O-N 2.89Å
475L93.3Very high90.5Very high2 Ų276.3 Ų76.31%0.0137%0.371CS..Hα-helixtrans-53.4-42.8178.1169.861.7000112.7Q471 W472 L479 I532 F539 L552Q471-L475 WeakPolarHBondContact O-CB 3.16Å; Q471-L475 PolarHBondContact O-N 3.01Å; W472-L475 PolarHBondContact O-N 3.29Å; L475-L479 HydrophobicContact CD1-CD1 3.91Å; L475-L479 HydrophobicContact CD1-CG 4.26Å; L475-L479 HydrophobicContact CG-CD1 4.08Å; L475-L479 WeakPolarHBondContact O-CB 3.45Å; L475-L479 WeakPolarHBondContact O-CD1 3.26Å; L475-L479 VanDerWaalsContact O-CG 3.31Å; L475-L479 WeakPolarHBondContact O-CG 3.46Å; L475-L479 PolarHBondContact O-N 2.86Å; L475-I532 HydrophobicContact CD1-CB 4.41Å; L475-I532 HydrophobicContact CD1-CG2 3.94Å; L475-F539 HydrophobicContact CD2-CD2 3.71Å; L475-F539 HydrophobicContact CD2-CE2 4.03Å; L475-L552 HydrophobicContact CD2-CD1 4.29Å; L475-L552 HydrophobicContact CD2-CD2 4.08Å
476I91.7Very high91.4Very high33 Ų3369.3 Ų69.317%0.16934%0.339CS..Hα-helixtrans-69.7-36.1177.8-63.3-63.4000111.8W472 Q474 L479 Q480W472-I476 HydrophobicContact CD2-CG1 4.46Å; W472-I476 HydrophobicContact CZ2-CD1 4.14Å; W472-I476 HydrophobicContact CZ2-CG1 4.38Å; W472-I476 WeakPolarHBondContact O-CG1 3.47Å; W472-I476 PolarHBondContact O-N 3.24Å; Q474-I476 VanDerWaalsContact C-N 3.28Å; Q474-I476 PolarHBondContact O-N 2.76Å; I476-L479 HydrophobicContact CD1-CD1 4.33Å; I476-Q480 VanDerWaalsContact O-CG 3.3Å; I476-Q480 WeakPolarHBondContact O-CG 3.46Å; I476-Q480 PolarHBondContact O-N 3.17Å; I476-Q480 VanDerWaalsContact O-N 3.1Å
477S93.5Very high91.9Very high56 Ų5664.1 Ų64.139%0.39232%0.323SS..Hα-helixtrans-65.5-44.4173.7-174.50000112.1Q473 Q474 Q480 T481Q473-S477 PolarHBondContact O-N 3.42Å; Q473-S477 VanDerWaalsContact O-N 3.1Å; Q474-S477 WeakPolarHBondContact O-CA 3.46Å; Q474-S477 WeakPolarHBondContact O-CB 3.3Å; Q474-S477 PolarHBondContact O-N 2.9Å; S477-Q480 PolarHBondContact O-N 2.79Å; S477-T481 WeakPolarHBondContact O-CB 3.48Å; S477-T481 PolarHBondContact O-N 3.22Å; S477-T481 PolarHBondContact O-OG1 2.57Å
478D92.8Very high92.5Very high45 Ų4566.3 Ų66.324%0.24133%0.334CS..Hα-helixtrans-64.9-44.8179.6-60.4-13.5000110.1Q474 Q480 T481 M482 I532Q474-D478 PolarHBondContact NE2-OD1 2.89Å; Q474-D478 PolarHBondContact O-N 2.89Å; D478-Q480 PolarHBondContact O-N 3.35Å; D478-T481 PolarHBondContact O-N 3.02Å; D478-M482 VanDerWaalsContact O-CB 3.28Å; D478-M482 WeakPolarHBondContact O-CB 3.43Å; D478-M482 PolarHBondContact O-N 3.17Å; D478-I532 HydrophobicContact CB-CD1 3.9Å; D478-I532 HydrophobicContact CB-CG1 3.79Å
479L94.3Very high93.1Very high10 Ų1063.9 Ų63.95%0.05232%0.321CS..Hα-helixtrans-56.8-42.8172.8-83.5165000113.2L475 I476 R483 I532 L552 L556 M559L475-L479 HydrophobicContact CD1-CD1 3.91Å; L475-L479 HydrophobicContact CD1-CG 4.26Å; L475-L479 HydrophobicContact CG-CD1 4.08Å; L475-L479 WeakPolarHBondContact O-CB 3.45Å; L475-L479 WeakPolarHBondContact O-CD1 3.26Å; L475-L479 VanDerWaalsContact O-CG 3.31Å; L475-L479 WeakPolarHBondContact O-CG 3.46Å; L475-L479 PolarHBondContact O-N 2.86Å; I476-L479 HydrophobicContact CD1-CD1 4.33Å; L479-R483 VanDerWaalsContact O-CB 3.25Å; L479-R483 WeakPolarHBondContact O-CB 3.37Å; L479-R483 PolarHBondContact O-N 2.91Å; L479-I532 HydrophobicContact CD2-CG2 3.6Å; L479-I532 HydrophobicContact CG-CG2 3.82Å; L479-L552 HydrophobicContact CD1-CD1 3.55Å; L479-L556 HydrophobicContact CD2-CD2 3.98Å; L479-L556 HydrophobicContact CD2-CG 4.46Å; L479-M559 HydrophobicContact CD2-SD 3.69Å
480Q92.7Very high93.5Very high118 Ų11861.4 Ų61.455%0.55131%0.307SS*.Hα-helixtrans-67-43.4177.7-75.3176.1600111.7I476 S477 D478 R483 A484I476-Q480 VanDerWaalsContact O-CG 3.3Å; I476-Q480 WeakPolarHBondContact O-CG 3.46Å; I476-Q480 PolarHBondContact O-N 3.17Å; I476-Q480 VanDerWaalsContact O-N 3.1Å; S477-Q480 PolarHBondContact O-N 2.79Å; D478-Q480 PolarHBondContact O-N 3.35Å; Q480-R483 PolarHBondContact O-N 3.28Å; Q480-A484 WeakPolarHBondContact O-CB 3.36Å; Q480-A484 PolarHBondContact O-N 3.48Å
481T95.4Very high93.7Very high80 Ų8058.9 Ų58.949%0.49131%0.305SS..Hα-helixtrans-62-49.6178.1-54.50000110.7S477 D478 R483 A484 W485S477-T481 WeakPolarHBondContact O-CB 3.48Å; S477-T481 PolarHBondContact O-N 3.22Å; S477-T481 PolarHBondContact O-OG1 2.57Å; D478-T481 PolarHBondContact O-N 3.02Å; T481-R483 PolarHBondContact O-N 3.29Å; T481-A484 PolarHBondContact O-N 2.9Å; T481-W485 PolarHBondContact O-N 3.42Å
482M96.2Very high93.9Very high1 Ų156.9 Ų56.91%0.00530%0.296CS..Hα-helixtrans-59.5-43.6177.3-167.470.4-101.800112.1D478 A484 W485 L486 H525 V529 I532 M559 W563D478-M482 VanDerWaalsContact O-CB 3.28Å; D478-M482 WeakPolarHBondContact O-CB 3.43Å; D478-M482 PolarHBondContact O-N 3.17Å; M482-A484 PolarHBondContact O-N 3.31Å; M482-W485 HydrophobicContact CE-CB 4.47Å; M482-W485 HydrophobicContact CE-CD2 4.01Å; M482-W485 HydrophobicContact CE-CE3 3.21Å; M482-W485 HydrophobicContact CE-CZ3 3.77Å; M482-W485 PolarHBondContact O-N 2.92Å; M482-L486 HydrophobicContact CE-CG 4.09Å; M482-L486 HydrophobicContact CG-CD1 4.38Å; M482-L486 WeakPolarHBondContact O-CB 3.44Å; M482-L486 VanDerWaalsContact O-CG 3.32Å; M482-L486 WeakPolarHBondContact O-CG 3.32Å; M482-L486 PolarHBondContact O-N 2.82Å; M482-H525 HydrophobicContact CE-CB 3.84Å; M482-H525 HydrophobicContact SD-CB 3.99Å; M482-V529 HydrophobicContact CE-CG2 4.4Å; M482-V529 HydrophobicContact CG-CG2 4.12Å; M482-V529 HydrophobicContact SD-CG2 3.45Å; M482-V529 WeakPolarHBondContact SD-CG2 3.43Å; M482-I532 HydrophobicContact CB-CD1 4.02Å; M482-I532 HydrophobicContact CG-CD1 4.24Å; M482-M559 HydrophobicContact CB-SD 4.17Å; M482-M559 HydrophobicContact CG-CG 3.99Å; M482-M559 HydrophobicContact CG-SD 3.67Å; M482-W563 HydrophobicContact CE-CE3 4.07Å; M482-W563 HydrophobicContact CE-CZ3 3.76Å; M482-W563 HydrophobicContact SD-CZ3 4.39Å
483R95.2Very high94Very high132 Ų13253.7 Ų53.750%0.49828%0.284SS..Hα-helixtrans-67.4-33.1178-167.8178.9-175-139.611.8112.9L479 Q480 T481 G487 E558L479-R483 VanDerWaalsContact O-CB 3.25Å; L479-R483 WeakPolarHBondContact O-CB 3.37Å; L479-R483 PolarHBondContact O-N 2.91Å; Q480-R483 PolarHBondContact O-N 3.28Å; T481-R483 PolarHBondContact O-N 3.29Å; R483-G487 PolarHBondContact O-N 3.26Å; R483-E558 IonicContact CZ-OE1 2.59Å; R483-E558 IonicContact CZ-OE2 3.77Å; R483-E558 VanDerWaalsContact CZ-OE2 3.32Å; R483-E558 IonicContact NE-OE1 2.6Å; R483-E558 PolarHBondContact NE-OE1 2.91Å; R483-E558 IonicContact NE-OE2 2.75Å; R483-E558 PolarHBondContact NE-OE2 3.5Å; R483-E558 IonicContact NH2-OE1 3.23Å; R483-E558 PolarHBondContact NH2-OE1 3.29Å; R483-E558 IonicContact NH2-OE2 2.79Å; R483-E558 PolarHBondContact NH2-OE2 2.95Å
484A95.3Very high94Very high51 Ų5152 Ų5242%0.42129%0.286SS..Hα-helixtrans-70-46.5174.200000111.6Q480 T481 M482 L486 G487 Q488Q480-A484 WeakPolarHBondContact O-CB 3.36Å; Q480-A484 PolarHBondContact O-N 3.48Å; T481-A484 PolarHBondContact O-N 2.9Å; M482-A484 PolarHBondContact O-N 3.31Å; A484-L486 PolarHBondContact O-N 2.85Å; A484-G487 PolarHBondContact O-N 3.07Å; A484-Q488 WeakPolarHBondContact O-CG 3.47Å; A484-Q488 PolarHBondContact O-N 2.76Å; A484-Q488 VanDerWaalsContact O-N 3.1Å
485W97.3Very high93.9Very high44 Ų4453.1 Ų53.117%0.16729%0.285CS..Hα-helixtrans-61.9-41.5175.8178.988.3000112.4T481 M482 G487 Q488 S489 G521 V522 H525 W563 L566T481-W485 PolarHBondContact O-N 3.42Å; M482-W485 HydrophobicContact CE-CB 4.47Å; M482-W485 HydrophobicContact CE-CD2 4.01Å; M482-W485 HydrophobicContact CE-CE3 3.21Å; M482-W485 HydrophobicContact CE-CZ3 3.77Å; M482-W485 PolarHBondContact O-N 2.92Å; W485-G487 VanDerWaalsContact C-N 3.35Å; W485-G487 PolarHBondContact O-N 3.24Å; W485-Q488 PolarHBondContact O-N 2.96Å; W485-S489 WeakPolarHBondContact CZ2-OG 3.5Å; W485-S489 WeakPolarHBondContact O-CB 3.31Å; W485-S489 PolarHBondContact O-N 3.23Å; W485-S489 PolarHBondContact O-OG 3.07Å; W485-G521 VanDerWaalsContact CZ2-C 3.43Å; W485-V522 HydrophobicContact CH2-CB 4.45Å; W485-V522 HydrophobicContact CH2-CG2 3.81Å; W485-H525 AromaticContact CD1-CE1 3.52Å; W485-H525 AromaticContact CD1-NE2 3.74Å; W485-H525 AromaticContact CD2-CE1 3.75Å; W485-H525 AromaticContact CD2-ND1 3.93Å; W485-H525 AromaticContact CE2-CE1 3.44Å; W485-H525 VanDerWaalsContact CE2-CE1 3.44Å; W485-H525 AromaticContact CE2-ND1 3.6Å; W485-H525 AromaticContact CG-CE1 3.81Å; W485-H525 AromaticContact CG-NE2 3.79Å; W485-H525 AromaticContact CZ2-ND1 3.79Å; W485-H525 AromaticContact NE1-CE1 3.29Å; W485-H525 PolarHBondContact NE1-CE1 3.36Å; W485-H525 VanDerWaalsContact NE1-CE1 3.29Å; W485-H525 AromaticContact NE1-ND1 3.91Å; W485-H525 AromaticContact NE1-NE2 3.98Å; W485-W563 HydrophobicContact CH2-CZ3 4.5Å; W485-W563 HydrophobicContact CZ3-CE3 4.35Å; W485-W563 AromaticContact CZ3-CZ3 3.92Å; W485-W563 HydrophobicContact CZ3-CZ3 3.92Å; W485-L566 HydrophobicContact CH2-CD2 3.99Å; W485-L566 HydrophobicContact CZ3-CD2 3.77Å
486L97.4Very high93.5Very high0 Ų053.5 Ų53.50%029%0.287CS..Hα-helixtrans-57.2-47.4173.9-81.5167.4000111.1M482 A484 Q488 S489 E490 M559 R562 W563 L566M482-L486 HydrophobicContact CE-CG 4.09Å; M482-L486 HydrophobicContact CG-CD1 4.38Å; M482-L486 WeakPolarHBondContact O-CB 3.44Å; M482-L486 VanDerWaalsContact O-CG 3.32Å; M482-L486 WeakPolarHBondContact O-CG 3.32Å; M482-L486 PolarHBondContact O-N 2.82Å; A484-L486 PolarHBondContact O-N 2.85Å; L486-Q488 PolarHBondContact O-N 3.14Å; L486-S489 PolarHBondContact O-N 2.67Å; L486-E490 VanDerWaalsContact O-CB 3.31Å; L486-E490 WeakPolarHBondContact O-CB 3.38Å; L486-E490 WeakPolarHBondContact O-CG 3.36Å; L486-E490 PolarHBondContact O-N 3.09Å; L486-M559 HydrophobicContact CD1-CG 3.94Å; L486-R562 HydrophobicContact CD1-CB 4.07Å; L486-R562 HydrophobicContact CD2-CB 4.43Å; L486-W563 HydrophobicContact CD2-CB 4.42Å; L486-W563 HydrophobicContact CD2-CE3 4.16Å; L486-L566 HydrophobicContact CD2-CD2 3.79Å
487G95.8Very high93Very high25 Ų2555.5 Ų55.526%0.25829%0.293SS..Hα-helixtrans-63-37.3178.700000114.1R483 A484 W485 A491R483-G487 PolarHBondContact O-N 3.26Å; A484-G487 PolarHBondContact O-N 3.07Å; W485-G487 VanDerWaalsContact C-N 3.35Å; W485-G487 PolarHBondContact O-N 3.24Å; G487-A491 VanDerWaalsContact O-CB 3.27Å; G487-A491 WeakPolarHBondContact O-CB 3.29Å; G487-A491 PolarHBondContact O-N 3.43Å; G487-A491 VanDerWaalsContact O-N 3.14Å
488Q96.3Very high91.8Very high134 Ų13453.9 Ų53.963%0.62629%0.285SS*.Hα-helixtrans-68.2-43.2175.4-67.3171.429.500111.4A484 W485 L486 A491 E492A484-Q488 WeakPolarHBondContact O-CG 3.47Å; A484-Q488 PolarHBondContact O-N 2.76Å; A484-Q488 VanDerWaalsContact O-N 3.1Å; W485-Q488 PolarHBondContact O-N 2.96Å; L486-Q488 PolarHBondContact O-N 3.14Å; Q488-A491 PolarHBondContact O-N 3.46Å; Q488-E492 PolarHBondContact O-N 3.48Å
489S95.2Very high90.5Very high9 Ų955.7 Ų55.76%0.06329%0.294CS..Hα-helixtrans-71.2-40.8-178.5-56.80000112.6W485 L486 A491 L493W485-S489 WeakPolarHBondContact CZ2-OG 3.5Å; W485-S489 WeakPolarHBondContact O-CB 3.31Å; W485-S489 PolarHBondContact O-N 3.23Å; W485-S489 PolarHBondContact O-OG 3.07Å; L486-S489 PolarHBondContact O-N 2.67Å; S489-A491 VanDerWaalsContact C-N 3.32Å; S489-A491 PolarHBondContact O-N 3.28Å; S489-L493 VanDerWaalsContact O-CB 3.26Å; S489-L493 WeakPolarHBondContact O-CB 3.34Å; S489-L493 PolarHBondContact O-N 3.11Å
490E95.1Very high89Confident44 Ų4456.5 Ų56.521%0.20630%0.299CS..Hα-helixtrans-59.8-41.3171.1-74.2169.6157.200111.4L486 S494 R562 L566L486-E490 VanDerWaalsContact O-CB 3.31Å; L486-E490 WeakPolarHBondContact O-CB 3.38Å; L486-E490 WeakPolarHBondContact O-CG 3.36Å; L486-E490 PolarHBondContact O-N 3.09Å; E490-S494 VanDerWaalsContact O-CB 3.27Å; E490-S494 WeakPolarHBondContact O-CB 3.49Å; E490-S494 PolarHBondContact O-N 3.46Å; E490-S494 PolarHBondContact O-OG 3.47Å; E490-R562 WeakPolarHBondContact OE1-CB 3.19Å; E490-R562 WeakPolarHBondContact OE1-CG 3.33Å; E490-R562 IonicContact OE1-NE 3.64Å; E490-R562 PolarHBondContact OE1-NE 3.36Å; E490-R562 VanDerWaalsContact OE1-NE 3.1Å; E490-R562 IonicContact OE2-CZ 2.9Å; E490-R562 VanDerWaalsContact OE2-CZ 3.28Å; E490-R562 IonicContact OE2-NE 2.7Å; E490-R562 PolarHBondContact OE2-NE 3.47Å; E490-R562 VanDerWaalsContact OE2-NE 3.07Å; E490-R562 IonicContact OE2-NH2 3.99Å; E490-R562 PolarHBondContact OE2-NH2 3Å; E490-L566 HydrophobicContact CG-CD1 4.32Å
491A92.7Very high87.4Confident60 Ų6052.2 Ų52.250%0.49628%0.281SS..Hα-helixtrans-69.9-44.5179.200000112.6G487 Q488 S489 S494 R495G487-A491 VanDerWaalsContact O-CB 3.27Å; G487-A491 WeakPolarHBondContact O-CB 3.29Å; G487-A491 PolarHBondContact O-N 3.43Å; G487-A491 VanDerWaalsContact O-N 3.14Å; Q488-A491 PolarHBondContact O-N 3.46Å; S489-A491 VanDerWaalsContact C-N 3.32Å; S489-A491 PolarHBondContact O-N 3.28Å; A491-S494 PolarHBondContact O-N 3.01Å; A491-R495 WeakPolarHBondContact O-CB 3.32Å; A491-R495 PolarHBondContact O-N 3.1Å
492E91.9Very high85.9Confident52 Ų5248.9 Ų48.924%0.24326%0.26CS..Hα-helixtrans-65.5-42.7176.8176.26117900111.4Q488 S494 R495 L496 L518Q488-E492 PolarHBondContact O-N 3.48Å; E492-S494 VanDerWaalsContact C-N 3.34Å; E492-S494 PolarHBondContact O-N 2.86Å; E492-R495 VanDerWaalsContact CD-NH2 3.26Å; E492-R495 WeakPolarHBondContact O-CB 3.32Å; E492-R495 PolarHBondContact O-N 3.02Å; E492-R495 IonicContact OE1-CZ 3.6Å; E492-R495 IonicContact OE1-NE 3.26Å; E492-R495 IonicContact OE1-NH2 3.15Å; E492-R495 PolarHBondContact OE1-NH2 2.94Å; E492-R495 IonicContact OE2-CZ 3.23Å; E492-R495 VanDerWaalsContact OE2-CZ 3.28Å; E492-R495 IonicContact OE2-NE 2.76Å; E492-R495 PolarHBondContact OE2-NE 2.84Å; E492-R495 IonicContact OE2-NH2 3.83Å; E492-R495 PolarHBondContact OE2-NH2 2.91Å; E492-L496 HydrophobicContact CG-CD1 3.78Å; E492-L496 HydrophobicContact CG-CG 4.47Å; E492-L496 WeakPolarHBondContact O-CB 3.42Å; E492-L496 WeakPolarHBondContact O-CD1 3.23Å; E492-L496 VanDerWaalsContact O-CG 3.24Å; E492-L496 WeakPolarHBondContact O-CG 3.32Å; E492-L496 PolarHBondContact O-N 3.26Å; E492-L518 HydrophobicContact CG-CD1 4.42Å; E492-L518 HydrophobicContact CG-CD2 4.37Å
493L91.6Very high84.3Confident5 Ų549.6 Ų49.63%0.02627%0.265CS..Hα-helixtrans-60.3-43.7172.8-178.359.9000111.7S489 R495 L496 R497 L518 L566 S569 L570 W573S489-L493 VanDerWaalsContact O-CB 3.26Å; S489-L493 WeakPolarHBondContact O-CB 3.34Å; S489-L493 PolarHBondContact O-N 3.11Å; L493-R495 VanDerWaalsContact C-N 3.3Å; L493-R495 PolarHBondContact O-N 2.85Å; L493-L496 PolarHBondContact O-N 2.92Å; L493-R497 HydrophobicContact CD1-CG 3.97Å; L493-R497 HydrophobicContact CG-CG 4.42Å; L493-R497 WeakPolarHBondContact O-CG 3.15Å; L493-R497 PolarHBondContact O-N 2.72Å; L493-L518 HydrophobicContact CB-CD1 4.28Å; L493-L518 HydrophobicContact CD1-CD1 4.41Å; L493-L566 HydrophobicContact CD2-CD1 3.77Å; L493-S569 WeakPolarHBondContact CD2-OG 3.33Å; L493-L570 HydrophobicContact CD1-CD2 3.85Å; L493-L570 HydrophobicContact CD2-CD2 4.04Å; L493-L570 HydrophobicContact CD2-CG 3.98Å; L493-W573 HydrophobicContact CD1-CB 4.41Å; L493-W573 HydrophobicContact CD1-CD2 3.84Å; L493-W573 HydrophobicContact CD1-CE3 3.3Å; L493-W573 HydrophobicContact CD1-CG 4.32Å; L493-W573 HydrophobicContact CD1-CZ3 3.9Å
494S89.6Confident83.2Confident83 Ų8346 Ų4658%0.5826%0.256SS*.Hα-helixtrans-62.9-36176.5-61.30000112.3E490 A491 E492 G498E490-S494 VanDerWaalsContact O-CB 3.27Å; E490-S494 WeakPolarHBondContact O-CB 3.49Å; E490-S494 PolarHBondContact O-N 3.46Å; E490-S494 PolarHBondContact O-OG 3.47Å; A491-S494 PolarHBondContact O-N 3.01Å; E492-S494 VanDerWaalsContact C-N 3.34Å; E492-S494 PolarHBondContact O-N 2.86Å; S494-G498 WeakPolarHBondContact O-CA 3.25Å; S494-G498 PolarHBondContact O-N 3.19Å
495R87.7Confident82.4Confident132 Ų13245.7 Ų45.750%0.49825%0.246SC..Hα-helixtrans-68-42.7174.5-168.9-171.468.178.12.6111.5A491 E492 L493 G498A491-R495 WeakPolarHBondContact O-CB 3.32Å; A491-R495 PolarHBondContact O-N 3.1Å; E492-R495 VanDerWaalsContact CD-NH2 3.26Å; E492-R495 WeakPolarHBondContact O-CB 3.32Å; E492-R495 PolarHBondContact O-N 3.02Å; E492-R495 IonicContact OE1-CZ 3.6Å; E492-R495 IonicContact OE1-NE 3.26Å; E492-R495 IonicContact OE1-NH2 3.15Å; E492-R495 PolarHBondContact OE1-NH2 2.94Å; E492-R495 IonicContact OE2-CZ 3.23Å; E492-R495 VanDerWaalsContact OE2-CZ 3.28Å; E492-R495 IonicContact OE2-NE 2.76Å; E492-R495 PolarHBondContact OE2-NE 2.84Å; E492-R495 IonicContact OE2-NH2 3.83Å; E492-R495 PolarHBondContact OE2-NH2 2.91Å; L493-R495 VanDerWaalsContact C-N 3.3Å; L493-R495 PolarHBondContact O-N 2.85Å; R495-G498 PolarHBondContact O-N 2.63Å
496L85.3Confident81.5Confident9 Ų949.7 Ų49.75%0.04727%0.267CS..Hα-helixtrans-72.4-41.3-178-70163.8000113.2E492 L493 K514 L518 W573E492-L496 HydrophobicContact CG-CD1 3.78Å; E492-L496 HydrophobicContact CG-CG 4.47Å; E492-L496 WeakPolarHBondContact O-CB 3.42Å; E492-L496 WeakPolarHBondContact O-CD1 3.23Å; E492-L496 VanDerWaalsContact O-CG 3.24Å; E492-L496 WeakPolarHBondContact O-CG 3.32Å; E492-L496 PolarHBondContact O-N 3.26Å; L493-L496 PolarHBondContact O-N 2.92Å; L496-K514 HydrophobicContact CD1-CB 3.87Å; L496-K514 HydrophobicContact CD2-CB 4.19Å; L496-K514 HydrophobicContact CD2-CG 4.29Å; L496-L518 HydrophobicContact CD1-CD1 3.94Å; L496-W573 HydrophobicContact CB-CH2 3.56Å; L496-W573 HydrophobicContact CB-CZ2 3.69Å; L496-W573 HydrophobicContact CB-CZ3 4.27Å; L496-W573 HydrophobicContact CD1-CH2 3.75Å; L496-W573 HydrophobicContact CD1-CZ3 4.08Å; L496-W573 HydrophobicContact CD2-CH2 4.43Å; L496-W573 HydrophobicContact CG-CH2 4.12Å
497R82Confident80.7Confident75 Ų7551.3 Ų51.328%0.28328%0.276SS..Hα-helixtrans-72.5-19.4169-61.3-169.486.7169.75.2112.4L493 L499 S569 W573 E576L493-R497 HydrophobicContact CD1-CG 3.97Å; L493-R497 HydrophobicContact CG-CG 4.42Å; L493-R497 WeakPolarHBondContact O-CG 3.15Å; L493-R497 PolarHBondContact O-N 2.72Å; R497-L499 VanDerWaalsContact C-N 3.29Å; R497-L499 PolarHBondContact O-N 3.09Å; R497-S569 PolarHBondContact NH1-O 2.71Å; R497-S569 PolarHBondContact NH1-OG 3.35Å; R497-W573 HydrophobicContact CG-CB 4.26Å; R497-W573 HydrophobicContact CG-CD2 3.93Å; R497-W573 HydrophobicContact CG-CG 3.66Å; R497-E576 IonicContact CZ-OE2 3.32Å; R497-E576 IonicContact NE-OE2 2.66Å; R497-E576 PolarHBondContact NE-OE2 3.12Å; R497-E576 VanDerWaalsContact NE-OE2 3.13Å; R497-E576 IonicContact NH2-OE2 3.25Å; R497-E576 PolarHBondContact NH2-OE2 2.9Å
498G68.8Low80.1Confident23 Ų2350.2 Ų50.224%0.23727%0.265CS..THydrogen-bonded Turntrans-71.6-19.6-179.600000114.8S494 R495 R656S494-G498 WeakPolarHBondContact O-CA 3.25Å; S494-G498 PolarHBondContact O-N 3.19Å; R495-G498 PolarHBondContact O-N 2.63Å; G498-R656 PolarHBondContact O-NH1 2.85Å; G498-R656 PolarHBondContact O-NH2 3.42Å; G498-R656 VanDerWaalsContact O-NH2 3.13Å
499L65.8Low79.4Confident82 Ų8248.3 Ų48.343%0.42926%0.256SS..SBendtrans-90.2128.9178.9-64.8163000110.3R497 R511R497-L499 VanDerWaalsContact C-N 3.29Å; R497-L499 PolarHBondContact O-N 3.09Å; L499-R511 PolarHBondContact O-NH1 3.33Å
500D61.2Low79Confident27 Ų2754.6 Ų54.614%0.14428%0.284CS..PPolyproline II helixtrans-55.5148.8-179.6-51.8-93.2000112.4S502 R511 T655 R656 Q669D500-S502 PolarHBondContact O-N 3.32Å; D500-R511 PolarHBondContact O-NH1 2.86Å; D500-R511 VanDerWaalsContact O-NH1 3.13Å; D500-R511 PolarHBondContact O-NH2 3.49Å; D500-T655 HydrophobicContact CB-CG2 4.08Å; D500-T655 WeakPolarHBondContact OD1-CA 3.48Å; D500-R656 PolarHBondContact OD1-N 3.44Å; D500-Q669 PolarHBondContact OD2-NE2 3.2Å
501V59.2Low78.6Confident29 Ų2953.8 Ų53.818%0.17628%0.279CS..PPolyproline II helixtrans-65.8119.5179.7179.60000109.1A580 N654V501-A580 HydrophobicContact CG1-CB 3.6Å; V501-N654 HydrophobicContact CB-CB 4.29Å; V501-N654 HydrophobicContact CG2-CB 4.3Å
502S64.7Low78.4Confident9 Ų952.9 Ų52.96%0.06327%0.265CS..PPolyproline II helixtrans-82.3144.4-179.9167.50000110.7D500 N504 I508 E672D500-S502 PolarHBondContact O-N 3.32Å; S502-N504 PolarHBondContact O-N 2.83Å; S502-N504 VanDerWaalsContact OG-CB 3.3Å; S502-N504 WeakPolarHBondContact OG-CB 3.31Å; S502-N504 PolarHBondContact OG-N 3.11Å; S502-I508 WeakPolarHBondContact O-CD1 3.45Å; S502-E672 WeakPolarHBondContact CB-OE2 3.4Å; S502-E672 VanDerWaalsContact OG-CD 3.26Å; S502-E672 PolarHBondContact OG-OE1 2.86Å; S502-E672 PolarHBondContact OG-OE2 3.27Å
503T62.7Low78.2Confident16 Ų1656.9 Ų56.910%0.09828%0.282CS..SBendtrans-70.7-10.2170.639.20000113.1C584 L651 E672 A676T503-C584 PolarHBondContact O-SG 3.43Å; T503-L651 HydrophobicContact CG2-CB 4.04Å; T503-L651 HydrophobicContact CG2-CD1 4.36Å; T503-E672 WeakPolarHBondContact OG1-CB 3.26Å; T503-E672 PolarHBondContact OG1-O 3.41Å; T503-A676 HydrophobicContact CG2-CB 4.14Å
504N72.6Confident78.2Confident57 Ų5760.8 Ų60.831%0.30530%0.299SS..  trans-88.1120.5-176-177-17.6000111.7S502 H506 T507 I508 E672S502-N504 PolarHBondContact O-N 2.83Å; S502-N504 VanDerWaalsContact OG-CB 3.3Å; S502-N504 WeakPolarHBondContact OG-CB 3.31Å; S502-N504 PolarHBondContact OG-N 3.11Å; N504-H506 VanDerWaalsContact C-N 3.27Å; N504-H506 PolarHBondContact O-N 3.25Å; N504-H506 PolarHBondContact OD1-N 3.48Å; N504-T507 WeakPolarHBondContact O-CB 3.36Å; N504-T507 PolarHBondContact O-N 3.43Å; N504-T507 VanDerWaalsContact O-N 3.08Å; N504-I508 PolarHBondContact O-N 3.4Å; N504-I508 VanDerWaalsContact O-N 3.14Å; N504-E672 WeakPolarHBondContact CB-OE1 3.42Å; N504-E672 PolarHBondContact ND2-OE1 2.75Å
505I78.1Confident78.3Confident44 Ų4457.4 Ų57.423%0.22627%0.274CS..Hα-helixtrans-56.8-36.3-178.7-167.3167.5000113.1I508 Q509 L581 Q585I505-I508 PolarHBondContact O-N 3.13Å; I505-Q509 HydrophobicContact CG1-CG 4.49Å; I505-Q509 WeakPolarHBondContact O-CB 3.41Å; I505-Q509 VanDerWaalsContact O-CG 3.25Å; I505-Q509 WeakPolarHBondContact O-CG 3.48Å; I505-Q509 PolarHBondContact O-N 2.78Å; I505-L581 HydrophobicContact CD1-CD1 4.17Å; I505-L581 HydrophobicContact CG1-CD1 3.79Å; I505-Q585 HydrophobicContact CD1-CG 4.02Å
506H78.6Confident78.5Confident129 Ų12956.7 Ų56.760%0.59728%0.275SS*.Hα-helixtrans-69.7-36.4178-67.9-46.9000112.3N504 I508 Q509 Q510N504-H506 VanDerWaalsContact C-N 3.27Å; N504-H506 PolarHBondContact O-N 3.25Å; N504-H506 PolarHBondContact OD1-N 3.48Å; H506-I508 VanDerWaalsContact C-N 3.32Å; H506-I508 PolarHBondContact O-N 3.08Å; H506-Q509 PolarHBondContact ND1-OE1 3.42Å; H506-Q509 PolarHBondContact O-N 2.97Å; H506-Q510 WeakPolarHBondContact O-CB 3.32Å; H506-Q510 PolarHBondContact O-N 3.08Å
507T80.9Confident78.8Confident33 Ų3359.6 Ų59.620%0.20229%0.29CS..Hα-helixtrans-65-37.6174.7-56.70000111.1N504 R511N504-T507 WeakPolarHBondContact O-CB 3.36Å; N504-T507 PolarHBondContact O-N 3.43Å; N504-T507 VanDerWaalsContact O-N 3.08Å; T507-R511 WeakPolarHBondContact O-CG 3.25Å; T507-R511 PolarHBondContact O-N 3.46Å
508I82.4Confident79.3Confident2 Ų257.1 Ų57.11%0.0128%0.283CS..Hα-helixtrans-68-46.9173.2-60.8173.6000110.7S502 N504 I505 H506 Q510 R511 I512 A580 L581 C584S502-I508 WeakPolarHBondContact O-CD1 3.45Å; N504-I508 PolarHBondContact O-N 3.4Å; N504-I508 VanDerWaalsContact O-N 3.14Å; I505-I508 PolarHBondContact O-N 3.13Å; H506-I508 VanDerWaalsContact C-N 3.32Å; H506-I508 PolarHBondContact O-N 3.08Å; I508-Q510 VanDerWaalsContact C-N 3.32Å; I508-Q510 PolarHBondContact O-N 3.14Å; I508-R511 WeakPolarHBondContact O-CB 3.36Å; I508-R511 PolarHBondContact O-N 3.03Å; I508-R511 VanDerWaalsContact O-N 3.12Å; I508-I512 HydrophobicContact CG2-CD1 3.89Å; I508-I512 HydrophobicContact CG2-CG1 4.41Å; I508-I512 WeakPolarHBondContact O-CG1 3.5Å; I508-I512 PolarHBondContact O-N 3.37Å; I508-A580 HydrophobicContact CD1-CB 4.14Å; I508-L581 HydrophobicContact CG2-CB 3.94Å; I508-L581 HydrophobicContact CG2-CD1 4.18Å; I508-C584 HydrophobicContact CD1-CB 4.09Å; I508-C584 VanDerWaalsContact CD1-SG 3.56Å
509Q82.3Confident80.5Confident94 Ų9458.5 Ų58.544%0.43928%0.283SS..Hα-helixtrans-57.1-42.1176.4-74168.1-15.500112.4I505 H506 R511 I512 K513I505-Q509 HydrophobicContact CG1-CG 4.49Å; I505-Q509 WeakPolarHBondContact O-CB 3.41Å; I505-Q509 VanDerWaalsContact O-CG 3.25Å; I505-Q509 WeakPolarHBondContact O-CG 3.48Å; I505-Q509 PolarHBondContact O-N 2.78Å; H506-Q509 PolarHBondContact ND1-OE1 3.42Å; H506-Q509 PolarHBondContact O-N 2.97Å; Q509-R511 VanDerWaalsContact C-N 3.34Å; Q509-R511 PolarHBondContact O-N 3.11Å; Q509-I512 PolarHBondContact O-N 3.01Å; Q509-K513 PolarHBondContact O-N 2.92Å
510Q86.5Confident81.8Confident141 Ų14161.9 Ų61.966%0.65929%0.294SS*.Hα-helixtrans-63.8-38.2176.9-166.7-174.429.100112H506 I508 K513 K514H506-Q510 WeakPolarHBondContact O-CB 3.32Å; H506-Q510 PolarHBondContact O-N 3.08Å; I508-Q510 VanDerWaalsContact C-N 3.32Å; I508-Q510 PolarHBondContact O-N 3.14Å; Q510-K513 PolarHBondContact O-N 2.98Å; Q510-K514 PolarHBondContact O-N 3.25Å; Q510-K514 VanDerWaalsContact O-N 3.1Å
511R86.4Confident83.3Confident28 Ų2861.4 Ų61.411%0.10630%0.296CS..Hα-helixtrans-67.9-39.5173.3-69.2177.6-164-158.310.5112L499 D500 T507 I508 Q509 K513 K514 L515 W573 L577L499-R511 PolarHBondContact O-NH1 3.33Å; D500-R511 PolarHBondContact O-NH1 2.86Å; D500-R511 VanDerWaalsContact O-NH1 3.13Å; D500-R511 PolarHBondContact O-NH2 3.49Å; T507-R511 WeakPolarHBondContact O-CG 3.25Å; T507-R511 PolarHBondContact O-N 3.46Å; I508-R511 WeakPolarHBondContact O-CB 3.36Å; I508-R511 PolarHBondContact O-N 3.03Å; I508-R511 VanDerWaalsContact O-N 3.12Å; Q509-R511 VanDerWaalsContact C-N 3.34Å; Q509-R511 PolarHBondContact O-N 3.11Å; R511-K513 VanDerWaalsContact C-N 3.3Å; R511-K513 PolarHBondContact O-N 2.69Å; R511-K514 CarbonylContact O-C 3.58Å; R511-K514 PolarHBondContact O-N 3.48Å; R511-K514 VanDerWaalsContact O-N 3.11Å; R511-L515 PolarHBondContact O-N 3.23Å; R511-W573 HydrophobicContact CB-CH2 4.4Å; R511-W573 HydrophobicContact CB-CZ2 3.99Å; R511-W573 HydrophobicContact CG-CZ2 4.42Å; R511-L577 HydrophobicContact CB-CD1 3.95Å; R511-L577 HydrophobicContact CB-CD2 3.77Å
512I87.3Confident84.9Confident40 Ų4060.1 Ų60.121%0.20529%0.288CS..Hα-helixtrans-62.2-37.1173.7-68.7169.9000111.1I508 Q509 L515 K516 L577 L581I508-I512 HydrophobicContact CG2-CD1 3.89Å; I508-I512 HydrophobicContact CG2-CG1 4.41Å; I508-I512 WeakPolarHBondContact O-CG1 3.5Å; I508-I512 PolarHBondContact O-N 3.37Å; Q509-I512 PolarHBondContact O-N 3.01Å; I512-L515 WeakPolarHBondContact O-CB 3.49Å; I512-L515 PolarHBondContact O-N 3.37Å; I512-K516 PolarHBondContact O-N 2.74Å; I512-L577 HydrophobicContact CD1-CB 4.49Å; I512-L577 HydrophobicContact CG1-CB 3.94Å; I512-L577 HydrophobicContact CG1-CD1 3.97Å; I512-L577 HydrophobicContact CG1-CG 4.5Å; I512-L581 HydrophobicContact CD1-CD2 3.87Å
513K89.4Confident86.2Confident137 Ų13763.5 Ų63.560%0.59631%0.305SS*.Hα-helixtrans-62.6-44.2171.3-173.2167-177167.10111.6Q509 Q510 R511 L515 K516 D517Q509-K513 PolarHBondContact O-N 2.92Å; Q510-K513 PolarHBondContact O-N 2.98Å; R511-K513 VanDerWaalsContact C-N 3.3Å; R511-K513 PolarHBondContact O-N 2.69Å; K513-L515 PolarHBondContact O-N 3.31Å; K513-K516 WeakPolarHBondContact O-CB 3.46Å; K513-K516 PolarHBondContact O-N 2.99Å; K513-D517 VanDerWaalsContact O-CG 3.27Å; K513-D517 PolarHBondContact O-N 3.15Å
514K91.3Very high87.7Confident87 Ų8765.6 Ų65.638%0.37832%0.324SS..Hα-helixtrans-66.5-33.4176.5-75.3-74.2152.5-141.80113.9L496 Q510 R511 D517 L518 W573L496-K514 HydrophobicContact CD1-CB 3.87Å; L496-K514 HydrophobicContact CD2-CB 4.19Å; L496-K514 HydrophobicContact CD2-CG 4.29Å; Q510-K514 PolarHBondContact O-N 3.25Å; Q510-K514 VanDerWaalsContact O-N 3.1Å; R511-K514 CarbonylContact O-C 3.58Å; R511-K514 PolarHBondContact O-N 3.48Å; R511-K514 VanDerWaalsContact O-N 3.11Å; K514-D517 WeakPolarHBondContact CE-OD2 3.36Å; K514-D517 IonicContact NZ-OD2 2.79Å; K514-D517 PolarHBondContact NZ-OD2 3.23Å; K514-D517 PolarHBondContact O-N 3.21Å; K514-L518 WeakPolarHBondContact O-CG 3.37Å; K514-L518 PolarHBondContact O-N 2.91Å; K514-L518 VanDerWaalsContact O-N 3.08Å; K514-W573 HydrophobicContact CB-CH2 4.45Å
515L91.4Very high88.7Confident12 Ų1264.3 Ų64.36%0.06332%0.316CS..Hα-helixtrans-60.7-50168.1172.273.8000110.9R511 I512 K513 D517 L518 Q519 L570 W573 R574 L577R511-L515 PolarHBondContact O-N 3.23Å; I512-L515 WeakPolarHBondContact O-CB 3.49Å; I512-L515 PolarHBondContact O-N 3.37Å; K513-L515 PolarHBondContact O-N 3.31Å; L515-D517 VanDerWaalsContact C-N 3.32Å; L515-D517 PolarHBondContact O-N 2.89Å; L515-L518 PolarHBondContact O-N 3.46Å; L515-Q519 WeakPolarHBondContact O-CB 3.37Å; L515-Q519 PolarHBondContact O-N 3.01Å; L515-L570 HydrophobicContact CD1-CD2 3.99Å; L515-L570 WeakPolarHBondContact CD1-O 3.42Å; L515-W573 HydrophobicContact CB-CE3 3.97Å; L515-W573 HydrophobicContact CB-CH2 4.29Å; L515-W573 HydrophobicContact CB-CZ3 3.68Å; L515-W573 HydrophobicContact CD1-CD2 4.38Å; L515-W573 HydrophobicContact CD1-CE3 3.6Å; L515-W573 HydrophobicContact CD1-CZ3 4.13Å; L515-W573 HydrophobicContact CG-CE3 4.37Å; L515-R574 HydrophobicContact CD1-CB 4.32Å; L515-R574 HydrophobicContact CD2-CB 3.71Å; L515-R574 HydrophobicContact CD2-CG 3.93Å; L515-L577 HydrophobicContact CB-CD1 4.22Å; L515-L577 HydrophobicContact CD2-CD1 4.22Å
516K91.9Very high89.5Confident116 Ų11666.8 Ų66.850%0.50433%0.325SS..Hα-helixtrans-58-42.6175.8-76.3-171.7171.2-1660112.1D300 I512 K513 Q519 K520D300-K516 IonicContact OD1-NZ 3.94Å; I512-K516 PolarHBondContact O-N 2.74Å; K513-K516 WeakPolarHBondContact O-CB 3.46Å; K513-K516 PolarHBondContact O-N 2.99Å; K516-Q519 PolarHBondContact O-N 3.35Å; K516-K520 WeakPolarHBondContact O-CB 3.44Å; K516-K520 PolarHBondContact O-N 3.28Å
517D92.3Very high90.1Very high70 Ų7064.3 Ų64.337%0.37432%0.323SS..Hα-helixtrans-57.9-48.8176.4-65.1-23.4000111.5K513 K514 L515 G521K513-D517 VanDerWaalsContact O-CG 3.27Å; K513-D517 PolarHBondContact O-N 3.15Å; K514-D517 WeakPolarHBondContact CE-OD2 3.36Å; K514-D517 IonicContact NZ-OD2 2.79Å; K514-D517 PolarHBondContact NZ-OD2 3.23Å; K514-D517 PolarHBondContact O-N 3.21Å; L515-D517 VanDerWaalsContact C-N 3.32Å; L515-D517 PolarHBondContact O-N 2.89Å; D517-G521 PolarHBondContact O-N 3.12Å; D517-G521 VanDerWaalsContact O-N 3.14Å
518L92.6Very high90.6Very high23 Ų2367 Ų6712%0.1233%0.333CS..Hα-helixtrans-67.8-40.7178.9-73171.2000112.3E492 L493 L496 K514 L515 G521 V522 L570 W573E492-L518 HydrophobicContact CG-CD1 4.42Å; E492-L518 HydrophobicContact CG-CD2 4.37Å; L493-L518 HydrophobicContact CB-CD1 4.28Å; L493-L518 HydrophobicContact CD1-CD1 4.41Å; L496-L518 HydrophobicContact CD1-CD1 3.94Å; K514-L518 WeakPolarHBondContact O-CG 3.37Å; K514-L518 PolarHBondContact O-N 2.91Å; K514-L518 VanDerWaalsContact O-N 3.08Å; L515-L518 PolarHBondContact O-N 3.46Å; L518-G521 WeakPolarHBondContact O-CA 3.42Å; L518-G521 PolarHBondContact O-N 3.27Å; L518-G521 VanDerWaalsContact O-N 3.08Å; L518-V522 PolarHBondContact O-N 3.31Å; L518-L570 HydrophobicContact CB-CD2 3.79Å; L518-L570 HydrophobicContact CD1-CD2 4.11Å; L518-W573 HydrophobicContact CD1-CZ3 4.36Å
519Q93.4Very high91.2Very high53 Ų5367.3 Ų67.325%0.24834%0.335CS..Hα-helixtrans-61.2-45.5177.5-163.571.516.600111.2L515 K516 G521 V522 D523L515-Q519 WeakPolarHBondContact O-CB 3.37Å; L515-Q519 PolarHBondContact O-N 3.01Å; K516-Q519 PolarHBondContact O-N 3.35Å; Q519-G521 PolarHBondContact O-N 3.09Å; Q519-V522 WeakPolarHBondContact O-CB 3.48Å; Q519-V522 PolarHBondContact O-N 2.84Å; Q519-V522 VanDerWaalsContact O-N 3.09Å; Q519-D523 PolarHBondContact O-N 3.34Å
520K92.5Very high91.7Very high152 Ų15268.1 Ų68.166%0.66134%0.342SS*.Hα-helixtrans-59.9-34.5173.4-176.7177.9178.8179.40112K516 D523 A524K516-K520 WeakPolarHBondContact O-CB 3.44Å; K516-K520 PolarHBondContact O-N 3.28Å; K520-D523 PolarHBondContact O-N 3.29Å; K520-A524 PolarHBondContact O-N 2.89Å
521G93.3Very high92Very high17 Ų1764.4 Ų64.418%0.17533%0.331CS..Hα-helixtrans-61.9-47.5171.300000112.8W485 D517 L518 Q519 A524 H525W485-G521 VanDerWaalsContact CZ2-C 3.43Å; D517-G521 PolarHBondContact O-N 3.12Å; D517-G521 VanDerWaalsContact O-N 3.14Å; L518-G521 WeakPolarHBondContact O-CA 3.42Å; L518-G521 PolarHBondContact O-N 3.27Å; L518-G521 VanDerWaalsContact O-N 3.08Å; Q519-G521 PolarHBondContact O-N 3.09Å; G521-A524 PolarHBondContact O-N 2.94Å; G521-H525 PolarHBondContact O-N 2.73Å; G521-H525 PolarHBondContact O-ND1 3.13Å
522V93.3Very high92.3Very high3 Ų363.1 Ų63.12%0.01833%0.327CS..Hα-helixtrans-60.5-45.3172.51760000110.6W485 L518 Q519 A524 H525 K526 W563 L566 L570W485-V522 HydrophobicContact CH2-CB 4.45Å; W485-V522 HydrophobicContact CH2-CG2 3.81Å; L518-V522 PolarHBondContact O-N 3.31Å; Q519-V522 WeakPolarHBondContact O-CB 3.48Å; Q519-V522 PolarHBondContact O-N 2.84Å; Q519-V522 VanDerWaalsContact O-N 3.09Å; V522-A524 VanDerWaalsContact C-N 3.31Å; V522-A524 PolarHBondContact O-N 3.46Å; V522-H525 PolarHBondContact O-N 2.95Å; V522-K526 PolarHBondContact O-N 2.89Å; V522-W563 HydrophobicContact CG1-CH2 3.83Å; V522-W563 HydrophobicContact CG1-CZ2 3.7Å; V522-W563 WeakPolarHBondContact O-CH2 3.44Å; V522-L566 HydrophobicContact CG2-CD2 4.35Å; V522-L570 HydrophobicContact CG2-CD1 3.54Å
523D91.2Very high92.6Very high80 Ų8063.7 Ų63.743%0.42833%0.33SS..Hα-helixtrans-61-37-178.9-75.3-42000113.2Q519 K520 K526Q519-D523 PolarHBondContact O-N 3.34Å; K520-D523 PolarHBondContact O-N 3.29Å; D523-K526 WeakPolarHBondContact OD1-CE 3.5Å; D523-K526 IonicContact OD1-NZ 3.75Å; D523-K526 PolarHBondContact OD1-NZ 3.12Å
524A93.4Very high92.6Very high59 Ų5963.2 Ų63.249%0.48833%0.333SS..Hα-helixtrans-64.9-48.9176.600000112.7K520 G521 V522 K526 S527K520-A524 PolarHBondContact O-N 2.89Å; G521-A524 PolarHBondContact O-N 2.94Å; V522-A524 VanDerWaalsContact C-N 3.31Å; V522-A524 PolarHBondContact O-N 3.46Å; A524-K526 PolarHBondContact O-N 3.35Å; A524-S527 PolarHBondContact O-OG 3.33Å
525H94.8Very high92.5Very high31 Ų3160.9 Ų60.914%0.14433%0.328CS..Hα-helixtrans-77-3.4-174.5-63.185.9000113.9M482 W485 G521 V522 S527 E528 V529 W563M482-H525 HydrophobicContact CE-CB 3.84Å; M482-H525 HydrophobicContact SD-CB 3.99Å; W485-H525 AromaticContact CD1-CE1 3.52Å; W485-H525 AromaticContact CD1-NE2 3.74Å; W485-H525 AromaticContact CD2-CE1 3.75Å; W485-H525 AromaticContact CD2-ND1 3.93Å; W485-H525 AromaticContact CE2-CE1 3.44Å; W485-H525 VanDerWaalsContact CE2-CE1 3.44Å; W485-H525 AromaticContact CE2-ND1 3.6Å; W485-H525 AromaticContact CG-CE1 3.81Å; W485-H525 AromaticContact CG-NE2 3.79Å; W485-H525 AromaticContact CZ2-ND1 3.79Å; W485-H525 AromaticContact NE1-CE1 3.29Å; W485-H525 PolarHBondContact NE1-CE1 3.36Å; W485-H525 VanDerWaalsContact NE1-CE1 3.29Å; W485-H525 AromaticContact NE1-ND1 3.91Å; W485-H525 AromaticContact NE1-NE2 3.98Å; G521-H525 PolarHBondContact O-N 2.73Å; G521-H525 PolarHBondContact O-ND1 3.13Å; V522-H525 PolarHBondContact O-N 2.95Å; H525-S527 VanDerWaalsContact C-N 3.27Å; H525-S527 PolarHBondContact O-N 3.35Å; H525-E528 IonicContact CD2-OE2 2.66Å; H525-E528 PolarHBondContact CD2-OE2 3.41Å; H525-E528 VanDerWaalsContact CD2-OE2 3.31Å; H525-E528 PolarHBondContact O-N 3.42Å; H525-E528 VanDerWaalsContact O-N 3.09Å; H525-V529 PolarHBondContact O-N 3.25Å; H525-W563 HydrophobicContact CB-CH2 3.86Å; H525-W563 HydrophobicContact CB-CZ3 3.81Å
526K93.4Very high92.4Very high95 Ų9560.5 Ų60.541%0.41333%0.326SS..Hα-helixtrans-54.5-40.7177.3-83.3173.1-177.4173.30113V522 D523 A524 L530 W563V522-K526 PolarHBondContact O-N 2.89Å; D523-K526 WeakPolarHBondContact OD1-CE 3.5Å; D523-K526 IonicContact OD1-NZ 3.75Å; D523-K526 PolarHBondContact OD1-NZ 3.12Å; A524-K526 PolarHBondContact O-N 3.35Å; K526-L530 WeakPolarHBondContact O-CB 3.47Å; K526-L530 WeakPolarHBondContact O-CD1 3.47Å; K526-L530 VanDerWaalsContact O-CG 3.25Å; K526-L530 WeakPolarHBondContact O-CG 3.43Å; K526-L530 PolarHBondContact O-N 3.43Å; K526-L530 VanDerWaalsContact O-N 3.13Å; K526-W563 HydrophobicContact CG-CH2 4.25Å; K526-W563 HydrophobicContact CG-CZ2 3.72Å
527S92.1Very high92.2Very high78 Ų7856.8 Ų56.855%0.54532%0.317SS..Hα-helixtrans-68.9-36.2178.151.40000112.3A524 H525 L530 S531A524-S527 PolarHBondContact O-OG 3.33Å; H525-S527 VanDerWaalsContact C-N 3.27Å; H525-S527 PolarHBondContact O-N 3.35Å; S527-L530 PolarHBondContact O-N 2.94Å; S527-S531 WeakPolarHBondContact O-CB 3.4Å; S527-S531 PolarHBondContact O-N 3.37Å
528E91.2Very high91.7Very high88 Ų8859 Ų5941%0.41133%0.329SS..Hα-helixtrans-69.7-47.1178.6-63175.8-158.400111H525 L530 S531 I532H525-E528 IonicContact CD2-OE2 2.66Å; H525-E528 PolarHBondContact CD2-OE2 3.41Å; H525-E528 VanDerWaalsContact CD2-OE2 3.31Å; H525-E528 PolarHBondContact O-N 3.42Å; H525-E528 VanDerWaalsContact O-N 3.09Å; E528-L530 VanDerWaalsContact C-N 3.28Å; E528-L530 PolarHBondContact O-N 3.28Å; E528-S531 WeakPolarHBondContact O-CB 3.39Å; E528-S531 PolarHBondContact O-N 3.27Å; E528-S531 VanDerWaalsContact O-N 3.09Å; E528-I532 WeakPolarHBondContact O-CB 2.94Å; E528-I532 VanDerWaalsContact O-CG1 3.29Å; E528-I532 WeakPolarHBondContact O-CG1 3.37Å; E528-I532 PolarHBondContact O-N 2.88Å
529V95.3Very high91.2Very high10 Ų1059.4 Ų59.46%0.06133%0.33CS..Hα-helixtrans-58.2-40.4173.3173.50000111.5M482 H525 N533 M559 W563M482-V529 HydrophobicContact CE-CG2 4.4Å; M482-V529 HydrophobicContact CG-CG2 4.12Å; M482-V529 HydrophobicContact SD-CG2 3.45Å; M482-V529 WeakPolarHBondContact SD-CG2 3.43Å; H525-V529 PolarHBondContact O-N 3.25Å; V529-N533 WeakPolarHBondContact CG1-ND2 3.43Å; V529-N533 WeakPolarHBondContact O-CB 3.49Å; V529-N533 PolarHBondContact O-N 3.35Å; V529-N533 PolarHBondContact O-ND2 2.79Å; V529-M559 HydrophobicContact CG1-CE 4.22Å; V529-W563 HydrophobicContact CG2-CD2 3.94Å; V529-W563 HydrophobicContact CG2-CE3 3.64Å; V529-W563 HydrophobicContact CG2-CH2 3.95Å; V529-W563 HydrophobicContact CG2-CZ2 4.26Å; V529-W563 HydrophobicContact CG2-CZ3 3.65Å
530L92.9Very high90.9Very high110 Ų11058.4 Ų58.458%0.57633%0.326SS*.Hα-helixtrans-66.9-42173.9-72.8169.9000112.1K526 S527 E528 N533 L534K526-L530 WeakPolarHBondContact O-CB 3.47Å; K526-L530 WeakPolarHBondContact O-CD1 3.47Å; K526-L530 VanDerWaalsContact O-CG 3.25Å; K526-L530 WeakPolarHBondContact O-CG 3.43Å; K526-L530 PolarHBondContact O-N 3.43Å; K526-L530 VanDerWaalsContact O-N 3.13Å; S527-L530 PolarHBondContact O-N 2.94Å; E528-L530 VanDerWaalsContact C-N 3.28Å; E528-L530 PolarHBondContact O-N 3.28Å; L530-N533 PolarHBondContact O-N 2.82Å; L530-L534 WeakPolarHBondContact O-CB 3.18Å; L530-L534 VanDerWaalsContact O-CG 3.26Å; L530-L534 WeakPolarHBondContact O-CG 3.28Å; L530-L534 PolarHBondContact O-N 3.2Å
531S92.5Very high90.3Very high64 Ų6457.8 Ų57.845%0.44833%0.326SS..Hα-helixtrans-61.3-45.2176.7-1720000112.1S527 E528 L534 S535S527-S531 WeakPolarHBondContact O-CB 3.4Å; S527-S531 PolarHBondContact O-N 3.37Å; E528-S531 WeakPolarHBondContact O-CB 3.39Å; E528-S531 PolarHBondContact O-N 3.27Å; E528-S531 VanDerWaalsContact O-N 3.09Å; S531-L534 PolarHBondContact O-N 3.45Å; S531-S535 WeakPolarHBondContact O-CB 3.46Å; S531-S535 PolarHBondContact O-N 3.02Å; S531-S535 PolarHBondContact O-OG 2.71Å
532I92.9Very high89.4Confident1 Ų160.9 Ų60.91%0.00535%0.345CS..Hα-helixtrans-60.6-48.3175.9-70.8165000110.7L475 D478 L479 M482 E528 L534 S535 S536 L556 M559L475-I532 HydrophobicContact CD1-CB 4.41Å; L475-I532 HydrophobicContact CD1-CG2 3.94Å; D478-I532 HydrophobicContact CB-CD1 3.9Å; D478-I532 HydrophobicContact CB-CG1 3.79Å; L479-I532 HydrophobicContact CD2-CG2 3.6Å; L479-I532 HydrophobicContact CG-CG2 3.82Å; M482-I532 HydrophobicContact CB-CD1 4.02Å; M482-I532 HydrophobicContact CG-CD1 4.24Å; E528-I532 WeakPolarHBondContact O-CB 2.94Å; E528-I532 VanDerWaalsContact O-CG1 3.29Å; E528-I532 WeakPolarHBondContact O-CG1 3.37Å; E528-I532 PolarHBondContact O-N 2.88Å; I532-L534 PolarHBondContact O-N 2.77Å; I532-S535 PolarHBondContact O-OG 2.95Å; I532-S536 VanDerWaalsContact O-CB 3.27Å; I532-S536 WeakPolarHBondContact O-CB 3.29Å; I532-S536 PolarHBondContact O-N 3.24Å; I532-S536 VanDerWaalsContact O-N 3.09Å; I532-S536 PolarHBondContact O-OG 2.91Å; I532-L556 HydrophobicContact CG2-CD2 3.61Å; I532-M559 HydrophobicContact CB-CE 4.48Å; I532-M559 HydrophobicContact CD1-SD 4.12Å; I532-M559 HydrophobicContact CG2-CE 3.79Å; I532-M559 HydrophobicContact CG2-SD 3.98Å
533N93.4Very high88.4Confident52 Ų5267.1 Ų67.128%0.27837%0.374SS..Hα-helixtrans-69.2-29.5179.9-78.9-64.5000113.3V529 L530 S536 N560V529-N533 WeakPolarHBondContact CG1-ND2 3.43Å; V529-N533 WeakPolarHBondContact O-CB 3.49Å; V529-N533 PolarHBondContact O-N 3.35Å; V529-N533 PolarHBondContact O-ND2 2.79Å; L530-N533 PolarHBondContact O-N 2.82Å; N533-S536 PolarHBondContact O-OG 3.43Å; N533-N560 PolarHBondContact ND2-OD1 2.98Å; N533-N560 PolarHBondContact OD1-ND2 2.9Å
534L90.3Very high87.5Confident127 Ų12766.2 Ų66.267%0.66537%0.372SS*.Hα-helixtrans-78-49.8175.4-73.5170.2000112.2L530 S531 I532 S536 A537L530-L534 WeakPolarHBondContact O-CB 3.18Å; L530-L534 VanDerWaalsContact O-CG 3.26Å; L530-L534 WeakPolarHBondContact O-CG 3.28Å; L530-L534 PolarHBondContact O-N 3.2Å; S531-L534 PolarHBondContact O-N 3.45Å; I532-L534 PolarHBondContact O-N 2.77Å; L534-S536 VanDerWaalsContact C-N 3.34Å; L534-S536 PolarHBondContact O-N 3.29Å; L534-A537 VanDerWaalsContact O-CB 3.31Å; L534-A537 WeakPolarHBondContact O-CB 3.41Å; L534-A537 PolarHBondContact O-N 2.73Å; L534-A537 VanDerWaalsContact O-N 3.14Å
535S89.2Confident86.8Confident38 Ų3869.8 Ų69.827%0.26638%0.383SS..Hα-helixtrans-66.3-34.7-177.855.80000112.8S531 I532 A537 F539S531-S535 WeakPolarHBondContact O-CB 3.46Å; S531-S535 PolarHBondContact O-N 3.02Å; S531-S535 PolarHBondContact O-OG 2.71Å; I532-S535 PolarHBondContact O-OG 2.95Å; S535-A537 VanDerWaalsContact C-N 3.27Å; S535-A537 PolarHBondContact O-N 3.28Å; S535-F539 VanDerWaalsContact O-CD2 3.23Å; S535-F539 WeakPolarHBondContact O-CD2 3.45Å
536S88.7Confident86.3Confident3 Ų369.6 Ų69.62%0.02139%0.385CS..Hα-helixtrans-65.1-27.2172.954.30000113.9I532 N533 L534 D538 F539 L540 L556I532-S536 VanDerWaalsContact O-CB 3.27Å; I532-S536 WeakPolarHBondContact O-CB 3.29Å; I532-S536 PolarHBondContact O-N 3.24Å; I532-S536 VanDerWaalsContact O-N 3.09Å; I532-S536 PolarHBondContact O-OG 2.91Å; N533-S536 PolarHBondContact O-OG 3.43Å; L534-S536 VanDerWaalsContact C-N 3.34Å; L534-S536 PolarHBondContact O-N 3.29Å; S536-D538 VanDerWaalsContact C-N 3.27Å; S536-D538 PolarHBondContact O-N 3.07Å; S536-F539 PolarHBondContact O-N 3.33Å; S536-L540 WeakPolarHBondContact O-CB 3.49Å; S536-L540 VanDerWaalsContact O-CG 3.3Å; S536-L540 WeakPolarHBondContact O-CG 3.2Å; S536-L540 PolarHBondContact O-N 3.48Å; S536-L556 WeakPolarHBondContact OG-CD1 3.49Å
537A86.8Confident85.8Confident39 Ų3973.1 Ų73.132%0.32240%0.403SS..Hα-helixtrans-62.6-33.6-179.200000112.6L534 S535 Q541L534-A537 VanDerWaalsContact O-CB 3.31Å; L534-A537 WeakPolarHBondContact O-CB 3.41Å; L534-A537 PolarHBondContact O-N 2.73Å; L534-A537 VanDerWaalsContact O-N 3.14Å; S535-A537 VanDerWaalsContact C-N 3.27Å; S535-A537 PolarHBondContact O-N 3.28Å; A537-Q541 VanDerWaalsContact O-CG 3.31Å; A537-Q541 WeakPolarHBondContact O-CG 3.33Å; A537-Q541 PolarHBondContact O-N 3.24Å; A537-Q541 PolarHBondContact O-NE2 3.22Å
538D82.7Confident85.2Confident116 Ų11674.8 Ų74.862%0.6240%0.402SS*.Hα-helixtrans-69.4-42.5177.6-72.8-22.9000111.7S536 Q541 S542S536-D538 VanDerWaalsContact C-N 3.27Å; S536-D538 PolarHBondContact O-N 3.07Å; D538-Q541 PolarHBondContact O-N 3.5Å; D538-S542 PolarHBondContact O-N 2.97Å
539F83Confident84.9Confident32 Ų3270.9 Ų70.914%0.1439%0.385CS..Hα-helixtrans-68.3-37.3177.2-63.3-73.3000112.7N468 Q471 W472 L475 S535 S536 Q541 S542 L552N468-F539 HydrophobicContact CB-CE1 4.48Å; Q471-F539 HydrophobicContact CB-CE2 4.37Å; Q471-F539 HydrophobicContact CB-CZ 3.79Å; W472-F539 HydrophobicContact CB-CE1 4Å; W472-F539 HydrophobicContact CB-CZ 4Å; W472-F539 HydrophobicContact CE3-CB 4.09Å; W472-F539 AromaticContact CE3-CD1 3.75Å; W472-F539 HydrophobicContact CE3-CD1 3.75Å; W472-F539 HydrophobicContact CE3-CD2 4.1Å; W472-F539 HydrophobicContact CE3-CE1 4.18Å; W472-F539 HydrophobicContact CE3-CE2 4.5Å; W472-F539 AromaticContact CE3-CG 3.71Å; W472-F539 HydrophobicContact CE3-CG 3.71Å; W472-F539 HydrophobicContact CZ3-CB 3.91Å; W472-F539 HydrophobicContact CZ3-CD1 4.37Å; W472-F539 HydrophobicContact CZ3-CG 4.06Å; L475-F539 HydrophobicContact CD2-CD2 3.71Å; L475-F539 HydrophobicContact CD2-CE2 4.03Å; S535-F539 VanDerWaalsContact O-CD2 3.23Å; S535-F539 WeakPolarHBondContact O-CD2 3.45Å; S536-F539 PolarHBondContact O-N 3.33Å; F539-Q541 PolarHBondContact O-N 3.41Å; F539-S542 PolarHBondContact O-N 3.26Å; F539-S542 PolarHBondContact O-OG 3.25Å; F539-L552 HydrophobicContact CB-CD2 4.43Å
540L85.3Confident84.6Confident32 Ų3278 Ų7817%0.16841%0.411CS..Hα-helixtrans-72-10.6177.5-67.4-179.5000114S536 A549 L552 R553 L556S536-L540 WeakPolarHBondContact O-CB 3.49Å; S536-L540 VanDerWaalsContact O-CG 3.3Å; S536-L540 WeakPolarHBondContact O-CG 3.2Å; S536-L540 PolarHBondContact O-N 3.48Å; L540-A549 HydrophobicContact CD2-CB 3.98Å; L540-A549 VanDerWaalsContact CD2-O 3.27Å; L540-A549 WeakPolarHBondContact CD2-O 3.38Å; L540-L552 HydrophobicContact CD2-CB 4.22Å; L540-L552 HydrophobicContact CD2-CD2 3.88Å; L540-L552 HydrophobicContact CD2-CG 4.12Å; L540-L552 HydrophobicContact CG-CD2 4.04Å; L540-L552 HydrophobicContact CG-CG 4.47Å; L540-R553 HydrophobicContact CD1-CG 3.78Å; L540-R553 HydrophobicContact CD2-CG 3.75Å; L540-R553 HydrophobicContact CG-CG 4.41Å; L540-L556 HydrophobicContact CD1-CD1 3.99Å
541Q80.2Confident84.5Confident139 Ų13977.7 Ų77.765%0.6541%0.407SS*.Hα-helixtrans-93.2-25.7173.6-78.7171.989.100113.6A537 D538 F539A537-Q541 VanDerWaalsContact O-CG 3.31Å; A537-Q541 WeakPolarHBondContact O-CG 3.33Å; A537-Q541 PolarHBondContact O-N 3.24Å; A537-Q541 PolarHBondContact O-NE2 3.22Å; D538-Q541 PolarHBondContact O-N 3.5Å; F539-Q541 PolarHBondContact O-N 3.41Å
542S74.4Confident84.4Confident82 Ų8274.8 Ų74.857%0.57339%0.386SS*.Hα-helixtrans-74.3-44.8-175.2390000114.4D538 F539D538-S542 PolarHBondContact O-N 2.97Å; F539-S542 PolarHBondContact O-N 3.26Å; F539-S542 PolarHBondContact O-OG 3.25Å
543E73.6Confident84.3Confident134 Ų13478.3 Ų78.363%0.62640%0.399SS*.SBendtrans-13674.3-176.4-74.9-82.2144.400108D545 S546 A549E543-D545 PolarHBondContact O-N 2.85Å; E543-D545 VanDerWaalsContact O-N 3.11Å; E543-S546 PolarHBondContact O-N 3.28Å; E543-A549 VanDerWaalsContact O-CB 3.32Å; E543-A549 WeakPolarHBondContact O-CB 3.47Å
544P72.6Confident84.3Confident60 Ų6080.7 Ų80.739%0.3941%0.412SS..THydrogen-bonded Turntrans-68.5-14.7-164.526.6-35.8000114.8R553P544-R553 VanDerWaalsContact O-CZ 3.22Å; P544-R553 PolarHBondContact O-NH1 3.41Å; P544-R553 PolarHBondContact O-NH2 3.47Å
545D77.8Confident84.4Confident135 Ų13578.8 Ų78.872%0.72240%0.396SS*.THydrogen-bonded Turntrans-111.17.7-178.1-64.4-50.4000113.6E543E543-D545 PolarHBondContact O-N 2.85Å; E543-D545 VanDerWaalsContact O-N 3.11Å
546S83.8Confident84.7Confident26 Ų2677.4 Ų77.418%0.18239%0.385CS..  trans-69.5152.3177117.80000112.3E543 E548 A549 W550E543-S546 PolarHBondContact O-N 3.28Å; S546-E548 VanDerWaalsContact C-N 3.3Å; S546-E548 WeakPolarHBondContact CB-OE2 3.33Å; S546-E548 PolarHBondContact O-N 3.24Å; S546-E548 PolarHBondContact OG-N 3.41Å; S546-E548 PolarHBondContact OG-OE2 3.08Å; S546-A549 PolarHBondContact O-N 3.02Å; S546-A549 PolarHBondContact OG-N 3.33Å; S546-A549 VanDerWaalsContact OG-N 3.08Å; S546-W550 VanDerWaalsContact O-CD1 3.31Å; S546-W550 PolarHBondContact O-N 3.07Å
547E82.4Confident85Confident169 Ų16984.2 Ų84.279%0.7942%0.415SS*.Hα-helixtrans-62.9-39.2177.3-171.8170.5-175.400111.3W550 E551E547-W550 PolarHBondContact O-N 3.14Å; E547-E551 PolarHBondContact O-N 3.35Å
548E81.2Confident85.4Confident114 Ų11485 Ų8553%0.53341%0.412SS..Hα-helixtrans-65.3-36.6174.8-52.388.4161.700112.3W472 S546 L552W472-E548 HydrophobicContact CH2-CB 4.34Å; W472-E548 HydrophobicContact CZ2-CB 4.35Å; S546-E548 VanDerWaalsContact C-N 3.3Å; S546-E548 WeakPolarHBondContact CB-OE2 3.33Å; S546-E548 PolarHBondContact O-N 3.24Å; S546-E548 PolarHBondContact OG-N 3.41Å; S546-E548 PolarHBondContact OG-OE2 3.08Å; E548-L552 VanDerWaalsContact O-CB 3.3Å; E548-L552 WeakPolarHBondContact O-CB 3.24Å; E548-L552 PolarHBondContact O-N 2.92Å
549A84.9Confident86Confident6 Ų679.7 Ų79.75%0.0538%0.383CS..Hα-helixtrans-69.3-34.917400000112.1L540 E543 S546 R553L540-A549 HydrophobicContact CD2-CB 3.98Å; L540-A549 VanDerWaalsContact CD2-O 3.27Å; L540-A549 WeakPolarHBondContact CD2-O 3.38Å; E543-A549 VanDerWaalsContact O-CB 3.32Å; E543-A549 WeakPolarHBondContact O-CB 3.47Å; S546-A549 PolarHBondContact O-N 3.02Å; S546-A549 PolarHBondContact OG-N 3.33Å; S546-A549 VanDerWaalsContact OG-N 3.08Å; A549-R553 VanDerWaalsContact O-CG 3.29Å; A549-R553 WeakPolarHBondContact O-CG 3.44Å; A549-R553 PolarHBondContact O-N 2.81Å; A549-R553 VanDerWaalsContact O-N 3.14Å
550W88.8Confident86.7Confident158 Ų15880.1 Ų80.160%0.59839%0.387SS*.Hα-helixtrans-67.8-45.3171.7-85.7102.5000112.5S546 E547 L552 R553 D554S546-W550 VanDerWaalsContact O-CD1 3.31Å; S546-W550 PolarHBondContact O-N 3.07Å; E547-W550 PolarHBondContact O-N 3.14Å; W550-L552 PolarHBondContact O-N 2.95Å; W550-R553 PolarHBondContact O-N 3.13Å; W550-D554 PolarHBondContact O-N 2.78Å; W550-D554 VanDerWaalsContact O-N 3.16Å
551E89.3Confident87.2Confident105 Ų10581.2 Ų81.249%0.49140%0.397SS..Hα-helixtrans-63.4-42.1177.4-158.4-163.1-177.700111.6E547 R553 D554 R555E547-E551 PolarHBondContact O-N 3.35Å; E551-R553 PolarHBondContact O-N 3.34Å; E551-D554 PolarHBondContact O-N 2.93Å; E551-R555 VanDerWaalsContact CD-NH2 3.27Å; E551-R555 HydrophobicContact CG-CG 4.47Å; E551-R555 WeakPolarHBondContact O-CB 3.45Å; E551-R555 VanDerWaalsContact O-CG 3.31Å; E551-R555 WeakPolarHBondContact O-CG 3.37Å; E551-R555 PolarHBondContact O-N 3.41Å; E551-R555 IonicContact OE1-CZ 3.64Å; E551-R555 IonicContact OE1-NE 3.84Å; E551-R555 PolarHBondContact OE1-NE 2.83Å; E551-R555 IonicContact OE1-NH2 2.76Å; E551-R555 PolarHBondContact OE1-NH2 2.68Å; E551-R555 IonicContact OE2-CZ 2.72Å; E551-R555 IonicContact OE2-NE 2.9Å; E551-R555 IonicContact OE2-NH2 3.24Å; E551-R555 PolarHBondContact OE2-NH2 3.13Å
552L91Very high88Confident3 Ų376.3 Ų76.32%0.01637%0.373CS..Hα-helixtrans-60.4-43.2176176.958.8000111.8W472 L475 L479 F539 L540 E548 W550 D554 R555 L556W472-L552 HydrophobicContact CH2-CB 4.29Å; W472-L552 HydrophobicContact CH2-CD2 3.93Å; W472-L552 HydrophobicContact CZ3-CD2 3.58Å; L475-L552 HydrophobicContact CD2-CD1 4.29Å; L475-L552 HydrophobicContact CD2-CD2 4.08Å; L479-L552 HydrophobicContact CD1-CD1 3.55Å; F539-L552 HydrophobicContact CB-CD2 4.43Å; L540-L552 HydrophobicContact CD2-CB 4.22Å; L540-L552 HydrophobicContact CD2-CD2 3.88Å; L540-L552 HydrophobicContact CD2-CG 4.12Å; L540-L552 HydrophobicContact CG-CD2 4.04Å; L540-L552 HydrophobicContact CG-CG 4.47Å; E548-L552 VanDerWaalsContact O-CB 3.3Å; E548-L552 WeakPolarHBondContact O-CB 3.24Å; E548-L552 PolarHBondContact O-N 2.92Å; W550-L552 PolarHBondContact O-N 2.95Å; L552-D554 PolarHBondContact O-N 3.46Å; L552-R555 PolarHBondContact O-N 3.06Å; L552-L556 HydrophobicContact CD1-CD1 3.78Å; L552-L556 HydrophobicContact CD1-CG 4Å; L552-L556 HydrophobicContact CG-CD1 3.76Å; L552-L556 HydrophobicContact CG-CG 4.45Å; L552-L556 WeakPolarHBondContact O-CB 3.3Å; L552-L556 WeakPolarHBondContact O-CD1 3.36Å; L552-L556 VanDerWaalsContact O-CG 3.26Å; L552-L556 WeakPolarHBondContact O-CG 3.24Å; L552-L556 PolarHBondContact O-N 2.8Å
553R91.4Very high89.1Confident75 Ų7573.5 Ų73.528%0.28335%0.35SS..Hα-helixtrans-59.5-43.5176-76.9170.5-169.6142.46.1112.4L540 P544 A549 W550 E551 K557L540-R553 HydrophobicContact CD1-CG 3.78Å; L540-R553 HydrophobicContact CD2-CG 3.75Å; L540-R553 HydrophobicContact CG-CG 4.41Å; P544-R553 VanDerWaalsContact O-CZ 3.22Å; P544-R553 PolarHBondContact O-NH1 3.41Å; P544-R553 PolarHBondContact O-NH2 3.47Å; A549-R553 VanDerWaalsContact O-CG 3.29Å; A549-R553 WeakPolarHBondContact O-CG 3.44Å; A549-R553 PolarHBondContact O-N 2.81Å; A549-R553 VanDerWaalsContact O-N 3.14Å; W550-R553 PolarHBondContact O-N 3.13Å; E551-R553 PolarHBondContact O-N 3.34Å; R553-K557 VanDerWaalsContact O-CB 3.25Å; R553-K557 WeakPolarHBondContact O-CB 3.37Å; R553-K557 PolarHBondContact O-N 2.94Å
554D92.4Very high90.2Very high101 Ų10172 Ų7254%0.5435%0.346SS..Hα-helixtrans-72.1-40.5-179-159.660.8000111.9W550 E551 L552 L556 K557 E558W550-D554 PolarHBondContact O-N 2.78Å; W550-D554 VanDerWaalsContact O-N 3.16Å; E551-D554 PolarHBondContact O-N 2.93Å; L552-D554 PolarHBondContact O-N 3.46Å; D554-L556 PolarHBondContact O-N 3.09Å; D554-K557 WeakPolarHBondContact O-CB 3.28Å; D554-K557 PolarHBondContact O-N 2.84Å; D554-E558 PolarHBondContact O-N 3.09Å
555R93.3Very high91.3Very high87 Ų8775.9 Ų75.933%0.32835%0.353SS..Hα-helixtrans-59.1-44.4173-72173173.8-152.19.1112.5E551 L552 E558 M559E551-R555 VanDerWaalsContact CD-NH2 3.27Å; E551-R555 HydrophobicContact CG-CG 4.47Å; E551-R555 WeakPolarHBondContact O-CB 3.45Å; E551-R555 VanDerWaalsContact O-CG 3.31Å; E551-R555 WeakPolarHBondContact O-CG 3.37Å; E551-R555 PolarHBondContact O-N 3.41Å; E551-R555 IonicContact OE1-CZ 3.64Å; E551-R555 IonicContact OE1-NE 3.84Å; E551-R555 PolarHBondContact OE1-NE 2.83Å; E551-R555 IonicContact OE1-NH2 2.76Å; E551-R555 PolarHBondContact OE1-NH2 2.68Å; E551-R555 IonicContact OE2-CZ 2.72Å; E551-R555 IonicContact OE2-NE 2.9Å; E551-R555 IonicContact OE2-NH2 3.24Å; E551-R555 PolarHBondContact OE2-NH2 3.13Å; L552-R555 PolarHBondContact O-N 3.06Å; R555-E558 PolarHBondContact O-N 2.84Å; R555-M559 WeakPolarHBondContact O-CB 3.43Å; R555-M559 PolarHBondContact O-N 2.94Å
556L95.3Very high92.2Very high10 Ų1069.7 Ų69.75%0.05232%0.32CS..Hα-helixtrans-63.3-41.9174.5-75161.2000111.9L479 I532 S536 L540 L552 D554 M559 N560L479-L556 HydrophobicContact CD2-CD2 3.98Å; L479-L556 HydrophobicContact CD2-CG 4.46Å; I532-L556 HydrophobicContact CG2-CD2 3.61Å; S536-L556 WeakPolarHBondContact OG-CD1 3.49Å; L540-L556 HydrophobicContact CD1-CD1 3.99Å; L552-L556 HydrophobicContact CD1-CD1 3.78Å; L552-L556 HydrophobicContact CD1-CG 4Å; L552-L556 HydrophobicContact CG-CD1 3.76Å; L552-L556 HydrophobicContact CG-CG 4.45Å; L552-L556 WeakPolarHBondContact O-CB 3.3Å; L552-L556 WeakPolarHBondContact O-CD1 3.36Å; L552-L556 VanDerWaalsContact O-CG 3.26Å; L552-L556 WeakPolarHBondContact O-CG 3.24Å; L552-L556 PolarHBondContact O-N 2.8Å; D554-L556 PolarHBondContact O-N 3.09Å; L556-M559 HydrophobicContact CD2-CE 4.28Å; L556-M559 PolarHBondContact O-N 2.87Å; L556-N560 WeakPolarHBondContact O-CB 3.22Å; L556-N560 PolarHBondContact O-N 3.48Å; L556-N560 PolarHBondContact O-ND2 2.9Å; L556-N560 VanDerWaalsContact O-ND2 3.12Å
557K94.3Very high92.6Very high146 Ų14670.1 Ų70.164%0.63532%0.323SS*.Hα-helixtrans-65.7-40178.1-178.1-174.4170.5-160.90112R553 D554 S561R553-K557 VanDerWaalsContact O-CB 3.25Å; R553-K557 WeakPolarHBondContact O-CB 3.37Å; R553-K557 PolarHBondContact O-N 2.94Å; D554-K557 WeakPolarHBondContact O-CB 3.28Å; D554-K557 PolarHBondContact O-N 2.84Å; K557-S561 WeakPolarHBondContact O-CB 3.47Å; K557-S561 PolarHBondContact O-N 3.31Å
558E95.5Very high93.2Very high55 Ų5564.5 Ų64.526%0.25731%0.305SS..Hα-helixtrans-62.2-50.4171.1-169.6-152.5122.700110.8R483 D554 R555 N560 S561 R562R483-E558 IonicContact CZ-OE1 2.59Å; R483-E558 IonicContact CZ-OE2 3.77Å; R483-E558 VanDerWaalsContact CZ-OE2 3.32Å; R483-E558 IonicContact NE-OE1 2.6Å; R483-E558 PolarHBondContact NE-OE1 2.91Å; R483-E558 IonicContact NE-OE2 2.75Å; R483-E558 PolarHBondContact NE-OE2 3.5Å; R483-E558 IonicContact NH2-OE1 3.23Å; R483-E558 PolarHBondContact NH2-OE1 3.29Å; R483-E558 IonicContact NH2-OE2 2.79Å; R483-E558 PolarHBondContact NH2-OE2 2.95Å; D554-E558 PolarHBondContact O-N 3.09Å; R555-E558 PolarHBondContact O-N 2.84Å; E558-N560 PolarHBondContact O-N 3.14Å; E558-S561 PolarHBondContact O-N 3.41Å; E558-R562 HydrophobicContact CG-CG 4.43Å; E558-R562 WeakPolarHBondContact O-CB 3.46Å; E558-R562 WeakPolarHBondContact O-CG 3.47Å; E558-R562 PolarHBondContact O-N 3.29Å; E558-R562 VanDerWaalsContact OE1-CD 3.24Å; E558-R562 WeakPolarHBondContact OE1-CD 3.4Å; E558-R562 IonicContact OE1-CZ 3.15Å; E558-R562 IonicContact OE1-NE 3.48Å; E558-R562 IonicContact OE1-NH1 2.68Å; E558-R562 PolarHBondContact OE1-NH1 2.93Å
559M96.4Very high93.8Very high4 Ų460.7 Ų60.72%0.0229%0.291CS..Hα-helixtrans-56.5-53.5-179-176.9-164.173.500111.6L479 M482 L486 V529 I532 R555 L556 S561 R562 W563L479-M559 HydrophobicContact CD2-SD 3.69Å; M482-M559 HydrophobicContact CB-SD 4.17Å; M482-M559 HydrophobicContact CG-CG 3.99Å; M482-M559 HydrophobicContact CG-SD 3.67Å; L486-M559 HydrophobicContact CD1-CG 3.94Å; V529-M559 HydrophobicContact CG1-CE 4.22Å; I532-M559 HydrophobicContact CB-CE 4.48Å; I532-M559 HydrophobicContact CD1-SD 4.12Å; I532-M559 HydrophobicContact CG2-CE 3.79Å; I532-M559 HydrophobicContact CG2-SD 3.98Å; R555-M559 WeakPolarHBondContact O-CB 3.43Å; R555-M559 PolarHBondContact O-N 2.94Å; L556-M559 HydrophobicContact CD2-CE 4.28Å; L556-M559 PolarHBondContact O-N 2.87Å; M559-S561 PolarHBondContact O-N 3.31Å; M559-R562 PolarHBondContact O-N 3.28Å; M559-W563 WeakPolarHBondContact O-CB 3.5Å; M559-W563 PolarHBondContact O-N 3.41Å
560N96.5Very high94.2Very high41 Ų4160.5 Ų60.522%0.21929%0.289CS..Hα-helixtrans-63.6-41.5179-67.7-38.1000111.1N533 L556 E558 R562 W563 D564N533-N560 PolarHBondContact ND2-OD1 2.98Å; N533-N560 PolarHBondContact OD1-ND2 2.9Å; L556-N560 WeakPolarHBondContact O-CB 3.22Å; L556-N560 PolarHBondContact O-N 3.48Å; L556-N560 PolarHBondContact O-ND2 2.9Å; L556-N560 VanDerWaalsContact O-ND2 3.12Å; E558-N560 PolarHBondContact O-N 3.14Å; N560-R562 VanDerWaalsContact C-N 3.27Å; N560-R562 PolarHBondContact O-N 3.36Å; N560-W563 WeakPolarHBondContact O-CB 3.44Å; N560-W563 PolarHBondContact O-N 2.96Å; N560-D564 WeakPolarHBondContact O-CB 3.25Å; N560-D564 VanDerWaalsContact O-CG 3.25Å; N560-D564 PolarHBondContact O-N 3.31Å
561S97.1Very high94.3Very high55 Ų5556.6 Ų56.639%0.38528%0.277SS..Hα-helixtrans-62.5-29.9175.3177.50000113.8K557 E558 M559 R565K557-S561 WeakPolarHBondContact O-CB 3.47Å; K557-S561 PolarHBondContact O-N 3.31Å; E558-S561 PolarHBondContact O-N 3.41Å; M559-S561 PolarHBondContact O-N 3.31Å; S561-R565 WeakPolarHBondContact O-CB 3.33Å; S561-R565 VanDerWaalsContact O-CG 3.31Å; S561-R565 WeakPolarHBondContact O-CG 3.37Å; S561-R565 PolarHBondContact O-N 3.29Å; S561-R565 PolarHBondContact O-NE 3.09Å
562R96.9Very high94.3Very high36 Ų3656 Ų5614%0.13628%0.278CS..Hα-helixtrans-79.7-42.5174.8-74.5175.974.4-174.4-3.1111.4L486 E490 E558 M559 N560 D564 R565 L566L486-R562 HydrophobicContact CD1-CB 4.07Å; L486-R562 HydrophobicContact CD2-CB 4.43Å; E490-R562 WeakPolarHBondContact OE1-CB 3.19Å; E490-R562 WeakPolarHBondContact OE1-CG 3.33Å; E490-R562 IonicContact OE1-NE 3.64Å; E490-R562 PolarHBondContact OE1-NE 3.36Å; E490-R562 VanDerWaalsContact OE1-NE 3.1Å; E490-R562 IonicContact OE2-CZ 2.9Å; E490-R562 VanDerWaalsContact OE2-CZ 3.28Å; E490-R562 IonicContact OE2-NE 2.7Å; E490-R562 PolarHBondContact OE2-NE 3.47Å; E490-R562 VanDerWaalsContact OE2-NE 3.07Å; E490-R562 IonicContact OE2-NH2 3.99Å; E490-R562 PolarHBondContact OE2-NH2 3Å; E558-R562 HydrophobicContact CG-CG 4.43Å; E558-R562 WeakPolarHBondContact O-CB 3.46Å; E558-R562 WeakPolarHBondContact O-CG 3.47Å; E558-R562 PolarHBondContact O-N 3.29Å; E558-R562 VanDerWaalsContact OE1-CD 3.24Å; E558-R562 WeakPolarHBondContact OE1-CD 3.4Å; E558-R562 IonicContact OE1-CZ 3.15Å; E558-R562 IonicContact OE1-NE 3.48Å; E558-R562 IonicContact OE1-NH1 2.68Å; E558-R562 PolarHBondContact OE1-NH1 2.93Å; M559-R562 PolarHBondContact O-N 3.28Å; N560-R562 VanDerWaalsContact C-N 3.27Å; N560-R562 PolarHBondContact O-N 3.36Å; R562-D564 PolarHBondContact O-N 2.99Å; R562-R565 PolarHBondContact O-N 2.91Å; R562-L566 WeakPolarHBondContact O-CB 3.48Å; R562-L566 PolarHBondContact O-N 2.69Å
563W97.3Very high94.3Very high24 Ų2456.1 Ų56.19%0.09128%0.278CS..Hα-helixtrans-55.5-49.6173.1-179.9-92.1000112.9M482 W485 L486 V522 H525 K526 V529 M559 N560 L566 S567M482-W563 HydrophobicContact CE-CE3 4.07Å; M482-W563 HydrophobicContact CE-CZ3 3.76Å; M482-W563 HydrophobicContact SD-CZ3 4.39Å; W485-W563 HydrophobicContact CH2-CZ3 4.5Å; W485-W563 HydrophobicContact CZ3-CE3 4.35Å; W485-W563 AromaticContact CZ3-CZ3 3.92Å; W485-W563 HydrophobicContact CZ3-CZ3 3.92Å; L486-W563 HydrophobicContact CD2-CB 4.42Å; L486-W563 HydrophobicContact CD2-CE3 4.16Å; V522-W563 HydrophobicContact CG1-CH2 3.83Å; V522-W563 HydrophobicContact CG1-CZ2 3.7Å; V522-W563 WeakPolarHBondContact O-CH2 3.44Å; H525-W563 HydrophobicContact CB-CH2 3.86Å; H525-W563 HydrophobicContact CB-CZ3 3.81Å; K526-W563 HydrophobicContact CG-CH2 4.25Å; K526-W563 HydrophobicContact CG-CZ2 3.72Å; V529-W563 HydrophobicContact CG2-CD2 3.94Å; V529-W563 HydrophobicContact CG2-CE3 3.64Å; V529-W563 HydrophobicContact CG2-CH2 3.95Å; V529-W563 HydrophobicContact CG2-CZ2 4.26Å; V529-W563 HydrophobicContact CG2-CZ3 3.65Å; M559-W563 WeakPolarHBondContact O-CB 3.5Å; M559-W563 PolarHBondContact O-N 3.41Å; N560-W563 WeakPolarHBondContact O-CB 3.44Å; N560-W563 PolarHBondContact O-N 2.96Å; W563-L566 PolarHBondContact O-N 3.37Å; W563-S567 WeakPolarHBondContact O-CB 3.33Å; W563-S567 PolarHBondContact O-N 2.68Å; W563-S567 PolarHBondContact O-OG 3.27Å
564D95.5Very high94.2Very high102 Ų10257.1 Ų57.155%0.54528%0.282SS..Hα-helixtrans-64.6-41.7179.5-66.5-22.4000111.4N560 R562 S567 A568N560-D564 WeakPolarHBondContact O-CB 3.25Å; N560-D564 VanDerWaalsContact O-CG 3.25Å; N560-D564 PolarHBondContact O-N 3.31Å; R562-D564 PolarHBondContact O-N 2.99Å; D564-S567 PolarHBondContact O-N 3.45Å; D564-A568 WeakPolarHBondContact O-CB 3.26Å; D564-A568 PolarHBondContact O-N 2.72Å
565R96.2Very high94Very high142 Ų14257.1 Ų57.154%0.53628%0.279SS..Hα-helixtrans-68.1-39.3177-79.3-176.8-68.9145.2-5.4113.1S561 R562 S569S561-R565 WeakPolarHBondContact O-CB 3.33Å; S561-R565 VanDerWaalsContact O-CG 3.31Å; S561-R565 WeakPolarHBondContact O-CG 3.37Å; S561-R565 PolarHBondContact O-N 3.29Å; S561-R565 PolarHBondContact O-NE 3.09Å; R562-R565 PolarHBondContact O-N 2.91Å; R565-S569 WeakPolarHBondContact O-CB 3.47Å; R565-S569 PolarHBondContact O-N 3.25Å
566L96.1Very high93.7Very high5 Ų556.4 Ų56.43%0.02628%0.279CS..Hα-helixtrans-64-46.5174.6178.863.3000110.1W485 L486 E490 L493 V522 R562 W563 S569 L570W485-L566 HydrophobicContact CH2-CD2 3.99Å; W485-L566 HydrophobicContact CZ3-CD2 3.77Å; L486-L566 HydrophobicContact CD2-CD2 3.79Å; E490-L566 HydrophobicContact CG-CD1 4.32Å; L493-L566 HydrophobicContact CD2-CD1 3.77Å; V522-L566 HydrophobicContact CG2-CD2 4.35Å; R562-L566 WeakPolarHBondContact O-CB 3.48Å; R562-L566 PolarHBondContact O-N 2.69Å; W563-L566 PolarHBondContact O-N 3.37Å; L566-S569 PolarHBondContact O-N 2.94Å; L566-L570 HydrophobicContact CD1-CD1 4.28Å; L566-L570 HydrophobicContact CD1-CG 4.46Å; L566-L570 HydrophobicContact CG-CD1 4.12Å; L566-L570 WeakPolarHBondContact O-CG 3.36Å; L566-L570 PolarHBondContact O-N 2.89Å
567S93.8Very high93.3Very high35 Ų3556.2 Ų56.225%0.24528%0.278CS..Hα-helixtrans-61.3-45.9178.9-58.20000112.2W563 D564 L570 E571W563-S567 WeakPolarHBondContact O-CB 3.33Å; W563-S567 PolarHBondContact O-N 2.68Å; W563-S567 PolarHBondContact O-OG 3.27Å; D564-S567 PolarHBondContact O-N 3.45Å; S567-L570 PolarHBondContact O-N 3.49Å; S567-E571 PolarHBondContact O-N 3.42Å
568A94.3Very high92.9Very high51 Ų5153 Ų5342%0.42127%0.265SS..Hα-helixtrans-64.4-45.6175.600000112.1D564 L570 E571 D572D564-A568 WeakPolarHBondContact O-CB 3.26Å; D564-A568 PolarHBondContact O-N 2.72Å; A568-L570 VanDerWaalsContact C-N 3.26Å; A568-L570 PolarHBondContact O-N 2.87Å; A568-E571 PolarHBondContact O-N 3.26Å; A568-E571 VanDerWaalsContact O-N 3.12Å; A568-D572 PolarHBondContact O-N 2.83Å
569S93.4Very high92.4Very high34 Ų3456 Ų5624%0.23827%0.274CS..Hα-helixtrans-65.9-26.8179.9-172.30000113.2L493 R497 R565 L566 W573L493-S569 WeakPolarHBondContact CD2-OG 3.33Å; R497-S569 PolarHBondContact NH1-O 2.71Å; R497-S569 PolarHBondContact NH1-OG 3.35Å; R565-S569 WeakPolarHBondContact O-CB 3.47Å; R565-S569 PolarHBondContact O-N 3.25Å; L566-S569 PolarHBondContact O-N 2.94Å; S569-W573 VanDerWaalsContact O-CB 3.28Å; S569-W573 WeakPolarHBondContact O-CB 3.46Å; S569-W573 PolarHBondContact O-N 3.33Å; S569-W573 VanDerWaalsContact O-N 3.12Å
570L93.4Very high91.7Very high1 Ų155.9 Ų55.91%0.00527%0.274CS..Hα-helixtrans-70.7-41.4171-76.1165.2000112L493 L515 L518 V522 L566 S567 A568 W573 R574L493-L570 HydrophobicContact CD1-CD2 3.85Å; L493-L570 HydrophobicContact CD2-CD2 4.04Å; L493-L570 HydrophobicContact CD2-CG 3.98Å; L515-L570 HydrophobicContact CD1-CD2 3.99Å; L515-L570 WeakPolarHBondContact CD1-O 3.42Å; L518-L570 HydrophobicContact CB-CD2 3.79Å; L518-L570 HydrophobicContact CD1-CD2 4.11Å; V522-L570 HydrophobicContact CG2-CD1 3.54Å; L566-L570 HydrophobicContact CD1-CD1 4.28Å; L566-L570 HydrophobicContact CD1-CG 4.46Å; L566-L570 HydrophobicContact CG-CD1 4.12Å; L566-L570 WeakPolarHBondContact O-CG 3.36Å; L566-L570 PolarHBondContact O-N 2.89Å; S567-L570 PolarHBondContact O-N 3.49Å; A568-L570 VanDerWaalsContact C-N 3.26Å; A568-L570 PolarHBondContact O-N 2.87Å; L570-W573 HydrophobicContact CD2-CE3 4.49Å; L570-W573 PolarHBondContact O-N 3.44Å; L570-R574 WeakPolarHBondContact O-CB 3.27Å; L570-R574 PolarHBondContact O-N 3.44Å
571E90.4Very high91.2Very high76 Ų7655.6 Ų55.636%0.35527%0.272SS..Hα-helixtrans-70.2-41.8177.1-164.859.4-129.900111.7S567 A568 W573 R574 E575S567-E571 PolarHBondContact O-N 3.42Å; A568-E571 PolarHBondContact O-N 3.26Å; A568-E571 VanDerWaalsContact O-N 3.12Å; E571-W573 PolarHBondContact O-N 3.28Å; E571-R574 WeakPolarHBondContact O-CB 3.46Å; E571-R574 PolarHBondContact O-N 2.9Å; E571-R574 VanDerWaalsContact O-N 3.1Å; E571-R574 VanDerWaalsContact OE1-CD 3.32Å; E571-R574 WeakPolarHBondContact OE1-CD 3.29Å; E571-R574 IonicContact OE1-CZ 3.59Å; E571-R574 IonicContact OE1-NE 2.85Å; E571-R574 IonicContact OE1-NH1 2.73Å; E571-R574 PolarHBondContact OE1-NH1 3.48Å; E571-E575 PolarHBondContact O-N 3.28Å
572D89.8Confident90.7Very high94 Ų9458.4 Ų58.450%0.50328%0.281SS..Hα-helixtrans-53.5-42169.7-69.6-27.2000111.2A568 E576A568-D572 PolarHBondContact O-N 2.83Å; D572-E576 VanDerWaalsContact O-CB 3.32Å; D572-E576 WeakPolarHBondContact O-CB 3.42Å; D572-E576 PolarHBondContact O-N 2.81Å; D572-E576 VanDerWaalsContact O-N 3.09Å
573W91.4Very high90.1Very high4 Ų458.1 Ų58.12%0.01528%0.281CS..Hα-helixtrans-74.9-31.3179.8-168.837.5000112.7L493 L496 R497 R511 K514 L515 L518 S569 L570 E571 E576 L577L493-W573 HydrophobicContact CD1-CB 4.41Å; L493-W573 HydrophobicContact CD1-CD2 3.84Å; L493-W573 HydrophobicContact CD1-CE3 3.3Å; L493-W573 HydrophobicContact CD1-CG 4.32Å; L493-W573 HydrophobicContact CD1-CZ3 3.9Å; L496-W573 HydrophobicContact CB-CH2 3.56Å; L496-W573 HydrophobicContact CB-CZ2 3.69Å; L496-W573 HydrophobicContact CB-CZ3 4.27Å; L496-W573 HydrophobicContact CD1-CH2 3.75Å; L496-W573 HydrophobicContact CD1-CZ3 4.08Å; L496-W573 HydrophobicContact CD2-CH2 4.43Å; L496-W573 HydrophobicContact CG-CH2 4.12Å; R497-W573 HydrophobicContact CG-CB 4.26Å; R497-W573 HydrophobicContact CG-CD2 3.93Å; R497-W573 HydrophobicContact CG-CG 3.66Å; R511-W573 HydrophobicContact CB-CH2 4.4Å; R511-W573 HydrophobicContact CB-CZ2 3.99Å; R511-W573 HydrophobicContact CG-CZ2 4.42Å; K514-W573 HydrophobicContact CB-CH2 4.45Å; L515-W573 HydrophobicContact CB-CE3 3.97Å; L515-W573 HydrophobicContact CB-CH2 4.29Å; L515-W573 HydrophobicContact CB-CZ3 3.68Å; L515-W573 HydrophobicContact CD1-CD2 4.38Å; L515-W573 HydrophobicContact CD1-CE3 3.6Å; L515-W573 HydrophobicContact CD1-CZ3 4.13Å; L515-W573 HydrophobicContact CG-CE3 4.37Å; L518-W573 HydrophobicContact CD1-CZ3 4.36Å; S569-W573 VanDerWaalsContact O-CB 3.28Å; S569-W573 WeakPolarHBondContact O-CB 3.46Å; S569-W573 PolarHBondContact O-N 3.33Å; S569-W573 VanDerWaalsContact O-N 3.12Å; L570-W573 HydrophobicContact CD2-CE3 4.49Å; L570-W573 PolarHBondContact O-N 3.44Å; E571-W573 PolarHBondContact O-N 3.28Å; W573-E576 PolarHBondContact O-N 2.93Å; W573-L577 HydrophobicContact CD2-CD1 4Å; W573-L577 HydrophobicContact CD2-CG 4.49Å; W573-L577 HydrophobicContact CE3-CD1 4.49Å; W573-L577 HydrophobicContact CG-CD1 4.46Å; W573-L577 HydrophobicContact CH2-CD1 4.18Å; W573-L577 HydrophobicContact CZ2-CD1 3.7Å; W573-L577 HydrophobicContact CZ2-CD2 4.46Å; W573-L577 HydrophobicContact CZ2-CG 4.39Å; W573-L577 WeakPolarHBondContact O-CB 3.45Å; W573-L577 WeakPolarHBondContact O-CG 3.4Å; W573-L577 PolarHBondContact O-N 3.14Å
574R89.9Confident89.5Confident97 Ų9757 Ų5737%0.36628%0.277SS..Hα-helixtrans-61-50.3172.1179.8174.8162.7-70.6-9.2110.7L515 L570 E571 E576 L577 Q578L515-R574 HydrophobicContact CD1-CB 4.32Å; L515-R574 HydrophobicContact CD2-CB 3.71Å; L515-R574 HydrophobicContact CD2-CG 3.93Å; L570-R574 WeakPolarHBondContact O-CB 3.27Å; L570-R574 PolarHBondContact O-N 3.44Å; E571-R574 WeakPolarHBondContact O-CB 3.46Å; E571-R574 PolarHBondContact O-N 2.9Å; E571-R574 VanDerWaalsContact O-N 3.1Å; E571-R574 VanDerWaalsContact OE1-CD 3.32Å; E571-R574 WeakPolarHBondContact OE1-CD 3.29Å; E571-R574 IonicContact OE1-CZ 3.59Å; E571-R574 IonicContact OE1-NE 2.85Å; E571-R574 IonicContact OE1-NH1 2.73Å; E571-R574 PolarHBondContact OE1-NH1 3.48Å; R574-E576 VanDerWaalsContact C-N 3.33Å; R574-E576 PolarHBondContact O-N 3.05Å; R574-L577 PolarHBondContact O-N 3.38Å; R574-Q578 WeakPolarHBondContact O-CB 3.27Å; R574-Q578 VanDerWaalsContact O-CG 3.27Å; R574-Q578 WeakPolarHBondContact O-CG 3.25Å; R574-Q578 PolarHBondContact O-N 3.5Å
575E87.1Confident89.1Confident101 Ų10156.4 Ų56.447%0.47227%0.27SS..Hα-helixtrans-61.2-41.3174.7-71.3-161.5-176.300112.5E571 Q578 R579E571-E575 PolarHBondContact O-N 3.28Å; E575-Q578 PolarHBondContact O-N 3.39Å; E575-R579 VanDerWaalsContact O-CB 3.23Å; E575-R579 WeakPolarHBondContact O-CB 3.43Å; E575-R579 PolarHBondContact O-N 3.2Å; E575-R579 IonicContact OE2-NH2 3.47Å; E575-R579 PolarHBondContact OE2-NH2 2.85Å
576E86.4Confident88.8Confident72 Ų7254.4 Ų54.434%0.33627%0.267SS..Hα-helixtrans-61-46.8178.9-174.2169.4-138.300112.3R497 D572 W573 R574 A580R497-E576 IonicContact CZ-OE2 3.32Å; R497-E576 IonicContact NE-OE2 2.66Å; R497-E576 PolarHBondContact NE-OE2 3.12Å; R497-E576 VanDerWaalsContact NE-OE2 3.13Å; R497-E576 IonicContact NH2-OE2 3.25Å; R497-E576 PolarHBondContact NH2-OE2 2.9Å; D572-E576 VanDerWaalsContact O-CB 3.32Å; D572-E576 WeakPolarHBondContact O-CB 3.42Å; D572-E576 PolarHBondContact O-N 2.81Å; D572-E576 VanDerWaalsContact O-N 3.09Å; W573-E576 PolarHBondContact O-N 2.93Å; R574-E576 VanDerWaalsContact C-N 3.33Å; R574-E576 PolarHBondContact O-N 3.05Å; E576-A580 WeakPolarHBondContact O-CB 3.41Å; E576-A580 PolarHBondContact O-N 2.89Å
577L86.9Confident88.5Confident5 Ų554.4 Ų54.43%0.02627%0.267CS..Hα-helixtrans-69.4-37.9176-71.3176.8000113R511 I512 L515 W573 R574 A580 L581R511-L577 HydrophobicContact CB-CD1 3.95Å; R511-L577 HydrophobicContact CB-CD2 3.77Å; I512-L577 HydrophobicContact CD1-CB 4.49Å; I512-L577 HydrophobicContact CG1-CB 3.94Å; I512-L577 HydrophobicContact CG1-CD1 3.97Å; I512-L577 HydrophobicContact CG1-CG 4.5Å; L515-L577 HydrophobicContact CB-CD1 4.22Å; L515-L577 HydrophobicContact CD2-CD1 4.22Å; W573-L577 HydrophobicContact CD2-CD1 4Å; W573-L577 HydrophobicContact CD2-CG 4.49Å; W573-L577 HydrophobicContact CE3-CD1 4.49Å; W573-L577 HydrophobicContact CG-CD1 4.46Å; W573-L577 HydrophobicContact CH2-CD1 4.18Å; W573-L577 HydrophobicContact CZ2-CD1 3.7Å; W573-L577 HydrophobicContact CZ2-CD2 4.46Å; W573-L577 HydrophobicContact CZ2-CG 4.39Å; W573-L577 WeakPolarHBondContact O-CB 3.45Å; W573-L577 WeakPolarHBondContact O-CG 3.4Å; W573-L577 PolarHBondContact O-N 3.14Å; R574-L577 PolarHBondContact O-N 3.38Å; L577-A580 PolarHBondContact O-N 3.48Å; L577-L581 WeakPolarHBondContact O-CB 3.44Å; L577-L581 PolarHBondContact O-N 3.27Å
578Q86.9Confident88.2Confident80 Ų8055.7 Ų55.737%0.37427%0.269SS..Hα-helixtrans-63.7-44.4176.2-76.9177.4-29.800111.4R574 E575 L581 M582R574-Q578 WeakPolarHBondContact O-CB 3.27Å; R574-Q578 VanDerWaalsContact O-CG 3.27Å; R574-Q578 WeakPolarHBondContact O-CG 3.25Å; R574-Q578 PolarHBondContact O-N 3.5Å; E575-Q578 PolarHBondContact O-N 3.39Å; Q578-L581 PolarHBondContact O-N 2.87Å; Q578-M582 WeakPolarHBondContact O-CG 3.49Å; Q578-M582 PolarHBondContact O-N 2.98Å
579R84.3Confident88Confident117 Ų11760.4 Ų60.444%0.44228%0.282SS..Hα-helixtrans-61-46.4176.3-168.6179.7-58.9105.73.9111.6E575 M582 Q583E575-R579 VanDerWaalsContact O-CB 3.23Å; E575-R579 WeakPolarHBondContact O-CB 3.43Å; E575-R579 PolarHBondContact O-N 3.2Å; E575-R579 IonicContact OE2-NH2 3.47Å; E575-R579 PolarHBondContact OE2-NH2 2.85Å; R579-M582 PolarHBondContact O-N 3.1Å; R579-Q583 WeakPolarHBondContact O-CG 3.31Å; R579-Q583 PolarHBondContact O-N 2.71Å; R579-Q583 PolarHBondContact O-OE1 2.87Å
580A83Confident87.9Confident2 Ų260.7 Ų60.72%0.01728%0.283CS..Hα-helixtrans-61.9-42.2175.500000112.7V501 I508 E576 L577 Q583 C584V501-A580 HydrophobicContact CG1-CB 3.6Å; I508-A580 HydrophobicContact CD1-CB 4.14Å; E576-A580 WeakPolarHBondContact O-CB 3.41Å; E576-A580 PolarHBondContact O-N 2.89Å; L577-A580 PolarHBondContact O-N 3.48Å; A580-Q583 PolarHBondContact O-N 3.41Å; A580-C584 WeakPolarHBondContact O-CB 3.44Å; A580-C584 PolarHBondContact O-N 3.09Å
581L84.6Confident87.8Confident35 Ų3560.8 Ų60.818%0.18328%0.284CS..Hα-helixtrans-60.5-49.3178.2-177.960.8000111.4I505 I508 I512 L577 Q578 C584 Q585I505-L581 HydrophobicContact CD1-CD1 4.17Å; I505-L581 HydrophobicContact CG1-CD1 3.79Å; I508-L581 HydrophobicContact CG2-CB 3.94Å; I508-L581 HydrophobicContact CG2-CD1 4.18Å; I512-L581 HydrophobicContact CD1-CD2 3.87Å; L577-L581 WeakPolarHBondContact O-CB 3.44Å; L577-L581 PolarHBondContact O-N 3.27Å; Q578-L581 PolarHBondContact O-N 2.87Å; L581-C584 PolarHBondContact O-N 2.92Å; L581-Q585 HydrophobicContact CD1-CG 4.4Å; L581-Q585 WeakPolarHBondContact O-CG 3.45Å; L581-Q585 PolarHBondContact O-N 3.49Å
582M86.9Confident87.9Confident114 Ų11462.6 Ų62.656%0.56229%0.292SS*.Hα-helixtrans-61.1-45.2178.5-68.7-177-66.600111.7Q578 R579 C584 Q585 E586Q578-M582 WeakPolarHBondContact O-CG 3.49Å; Q578-M582 PolarHBondContact O-N 2.98Å; R579-M582 PolarHBondContact O-N 3.1Å; M582-C584 VanDerWaalsContact C-N 3.35Å; M582-C584 PolarHBondContact O-N 3.49Å; M582-Q585 PolarHBondContact O-N 3.39Å; M582-E586 WeakPolarHBondContact O-CB 3.26Å; M582-E586 PolarHBondContact O-N 3.46Å
583Q84.8Confident88Confident30 Ų3060 Ų6014%0.1429%0.287CS..Hα-helixtrans-63.3-38.1177.7-72.7174.4-54.300112.5R579 A580 F587 L651R579-Q583 WeakPolarHBondContact O-CG 3.31Å; R579-Q583 PolarHBondContact O-N 2.71Å; R579-Q583 PolarHBondContact O-OE1 2.87Å; A580-Q583 PolarHBondContact O-N 3.41Å; Q583-F587 VanDerWaalsContact O-CB 3.22Å; Q583-F587 WeakPolarHBondContact O-CB 3.31Å; Q583-F587 PolarHBondContact O-N 3.2Å; Q583-L651 HydrophobicContact CB-CD2 3.65Å; Q583-L651 HydrophobicContact CB-CG 4.31Å
584C85.1Confident88.2Confident0 Ų060.3 Ų60.30%029%0.289CS..Hα-helixtrans-66.9-42.6173.3-78.50000112.1T503 I508 A580 L581 M582 F587 H588 L651T503-C584 PolarHBondContact O-SG 3.43Å; I508-C584 HydrophobicContact CD1-CB 4.09Å; I508-C584 VanDerWaalsContact CD1-SG 3.56Å; A580-C584 WeakPolarHBondContact O-CB 3.44Å; A580-C584 PolarHBondContact O-N 3.09Å; L581-C584 PolarHBondContact O-N 2.92Å; M582-C584 VanDerWaalsContact C-N 3.35Å; M582-C584 PolarHBondContact O-N 3.49Å; C584-F587 PolarHBondContact O-N 3.42Å; C584-H588 WeakPolarHBondContact O-CB 3.42Å; C584-H588 PolarHBondContact O-CD2 3.23Å; C584-H588 PolarHBondContact O-N 2.85Å; C584-L651 VanDerWaalsContact SG-CD2 3.51Å
585Q87.6Confident88.4Confident89 Ų8958.8 Ų58.842%0.41629%0.287SS..Hα-helixtrans-62.4-50177.1-73.8172.6-49.800111.5I505 L581 M582 F587 H588 E589I505-Q585 HydrophobicContact CD1-CG 4.02Å; L581-Q585 HydrophobicContact CD1-CG 4.4Å; L581-Q585 WeakPolarHBondContact O-CG 3.45Å; L581-Q585 PolarHBondContact O-N 3.49Å; M582-Q585 PolarHBondContact O-N 3.39Å; Q585-F587 VanDerWaalsContact C-N 3.29Å; Q585-F587 PolarHBondContact O-N 2.67Å; Q585-H588 PolarHBondContact O-N 3.07Å; Q585-E589 WeakPolarHBondContact O-CB 3.37Å; Q585-E589 PolarHBondContact O-N 3.25Å
586E89Confident88.7Confident101 Ų10159 Ų5947%0.47229%0.291SS..Hα-helixtrans-58.6-40.7176.8-170.8-173.7173.400111.7M582 T590 L647M582-E586 WeakPolarHBondContact O-CB 3.26Å; M582-E586 PolarHBondContact O-N 3.46Å; E586-T590 WeakPolarHBondContact O-CB 3.45Å; E586-T590 PolarHBondContact O-N 2.97Å; E586-T590 PolarHBondContact O-OG1 2.99Å; E586-L647 HydrophobicContact CB-CD1 4.38Å; E586-L647 HydrophobicContact CG-CD1 3.78Å; E586-L647 HydrophobicContact CG-CD2 4.49Å
587F89.9Confident89.2Confident4 Ų458.8 Ų58.82%0.01829%0.288CS..Hα-helixtrans-63.4-48.6174.3174.7-97.5000112.3Q583 C584 Q585 S591 L644 L647 L651 A676 V680Q583-F587 VanDerWaalsContact O-CB 3.22Å; Q583-F587 WeakPolarHBondContact O-CB 3.31Å; Q583-F587 PolarHBondContact O-N 3.2Å; C584-F587 PolarHBondContact O-N 3.42Å; Q585-F587 VanDerWaalsContact C-N 3.29Å; Q585-F587 PolarHBondContact O-N 2.67Å; F587-S591 WeakPolarHBondContact O-CB 3.35Å; F587-S591 PolarHBondContact O-N 2.75Å; F587-L644 HydrophobicContact CD2-CD1 3.42Å; F587-L644 VanDerWaalsContact CD2-CD1 3.42Å; F587-L644 HydrophobicContact CD2-CG 4.07Å; F587-L644 HydrophobicContact CE2-CD1 3.67Å; F587-L644 HydrophobicContact CE2-CG 3.89Å; F587-L644 HydrophobicContact CG-CD1 4.2Å; F587-L644 WeakPolarHBondContact O-CD1 3.4Å; F587-L647 HydrophobicContact CB-CB 4.45Å; F587-L647 HydrophobicContact CD2-CB 4.3Å; F587-L651 HydrophobicContact CB-CD1 3.91Å; F587-L651 HydrophobicContact CD1-CD1 4.42Å; F587-L651 HydrophobicContact CG-CD1 4.06Å; F587-A676 HydrophobicContact CE1-CB 3.94Å; F587-A676 HydrophobicContact CZ-CB 3.81Å; F587-V680 HydrophobicContact CE2-CG2 3.73Å; F587-V680 HydrophobicContact CZ-CG2 4.2Å
588H87.5Confident89.6Confident62 Ų6258.8 Ų58.829%0.28729%0.287SS..Hα-helixtrans-63.8-46.1179.8-81.9-67.4000112.1C584 Q585 S591 H592C584-H588 WeakPolarHBondContact O-CB 3.42Å; C584-H588 PolarHBondContact O-CD2 3.23Å; C584-H588 PolarHBondContact O-N 2.85Å; Q585-H588 PolarHBondContact O-N 3.07Å; H588-S591 PolarHBondContact O-N 3.4Å; H588-H592 VanDerWaalsContact O-CB 3.3Å; H588-H592 WeakPolarHBondContact O-CB 3.36Å; H588-H592 PolarHBondContact O-N 2.97Å
589E90.6Very high89.9Confident150 Ų15060 Ų6070%0.70129%0.293SS*.Hα-helixtrans-62.7-51.4177.8-173.4-176.3173.600111.2Q585 S591 H592 G593Q585-E589 WeakPolarHBondContact O-CB 3.37Å; Q585-E589 PolarHBondContact O-N 3.25Å; E589-S591 VanDerWaalsContact C-N 3.31Å; E589-S591 PolarHBondContact O-N 2.99Å; E589-H592 PolarHBondContact O-N 2.85Å; E589-G593 PolarHBondContact O-N 3.26Å
590T90.6Very high90.4Very high40 Ų4057.3 Ų57.325%0.24529%0.287CS..Hα-helixtrans-62.6-38.7179.6-59.10000111.5E586 L594 L644E586-T590 WeakPolarHBondContact O-CB 3.45Å; E586-T590 PolarHBondContact O-N 2.97Å; E586-T590 PolarHBondContact O-OG1 2.99Å; T590-L594 HydrophobicContact CG2-CD1 4.03Å; T590-L594 VanDerWaalsContact O-CB 3.31Å; T590-L594 WeakPolarHBondContact O-CB 3.33Å; T590-L594 VanDerWaalsContact O-CG 3.28Å; T590-L594 WeakPolarHBondContact O-CG 3.27Å; T590-L594 PolarHBondContact O-N 3.21Å; T590-L644 HydrophobicContact CG2-CB 4.16Å; T590-L644 HydrophobicContact CG2-CD1 3.88Å
591S91.8Very high91Very high4 Ų457.2 Ų57.23%0.02829%0.287CS..Hα-helixtrans-65.2-45.5175.7-176.20000111.8F587 H588 E589 L595 I683F587-S591 WeakPolarHBondContact O-CB 3.35Å; F587-S591 PolarHBondContact O-N 2.75Å; H588-S591 PolarHBondContact O-N 3.4Å; E589-S591 VanDerWaalsContact C-N 3.31Å; E589-S591 PolarHBondContact O-N 2.99Å; S591-L595 VanDerWaalsContact O-CG 3.31Å; S591-L595 WeakPolarHBondContact O-CG 3.33Å; S591-L595 PolarHBondContact O-N 3.42Å; S591-L595 VanDerWaalsContact O-N 3.15Å; S591-I683 WeakPolarHBondContact OG-CD1 3.36Å
592H91.3Very high91.4Very high114 Ų11456.3 Ų56.353%0.52828%0.282SS..Hα-helixtrans-69.5-46.3-178.4-177.162.8000111.5H588 E589 L594 L595 L596H588-H592 VanDerWaalsContact O-CB 3.3Å; H588-H592 WeakPolarHBondContact O-CB 3.36Å; H588-H592 PolarHBondContact O-N 2.97Å; E589-H592 PolarHBondContact O-N 2.85Å; H592-L594 VanDerWaalsContact C-N 3.33Å; H592-L594 PolarHBondContact O-N 3Å; H592-L595 PolarHBondContact O-N 3.41Å; H592-L595 VanDerWaalsContact O-N 3.13Å; H592-L596 WeakPolarHBondContact NE2-CD1 3.28Å; H592-L596 PolarHBondContact O-N 3.02Å
593G93.6Very high91.8Very high38 Ų3856.5 Ų56.539%0.39228%0.276SS..Hα-helixtrans-60.1-39.1176.400000113E589 W597E589-G593 PolarHBondContact O-N 3.26Å; G593-W597 WeakPolarHBondContact O-CB 3.32Å; G593-W597 PolarHBondContact O-N 2.81Å
594L94.6Very high92.2Very high12 Ų1257 Ų576%0.06328%0.277CS..Hα-helixtrans-67.4-37.6173.7-77.7172.5000112.9T590 H592 L598 K640 L644 I683T590-L594 HydrophobicContact CG2-CD1 4.03Å; T590-L594 VanDerWaalsContact O-CB 3.31Å; T590-L594 WeakPolarHBondContact O-CB 3.33Å; T590-L594 VanDerWaalsContact O-CG 3.28Å; T590-L594 WeakPolarHBondContact O-CG 3.27Å; T590-L594 PolarHBondContact O-N 3.21Å; H592-L594 VanDerWaalsContact C-N 3.33Å; H592-L594 PolarHBondContact O-N 3Å; L594-L598 WeakPolarHBondContact O-CB 3.38Å; L594-L598 WeakPolarHBondContact O-CD1 3.31Å; L594-L598 WeakPolarHBondContact O-CG 3.22Å; L594-L598 PolarHBondContact O-N 3.33Å; L594-K640 HydrophobicContact CD1-CB 4.14Å; L594-K640 HydrophobicContact CD2-CB 3.99Å; L594-K640 HydrophobicContact CD2-CD 4.32Å; L594-L644 HydrophobicContact CD1-CD2 4.24Å; L594-I683 HydrophobicContact CB-CD1 4.28Å; L594-I683 HydrophobicContact CB-CG2 4.25Å; L594-I683 HydrophobicContact CD1-CG2 4.2Å
595L93.8Very high92.6Very high64 Ų6458.3 Ų58.334%0.33528%0.282SS..Hα-helixtrans-66-48.6176.6-73.6166.4000111.9S591 H592 W597 L598 E599 V682 I683S591-L595 VanDerWaalsContact O-CG 3.31Å; S591-L595 WeakPolarHBondContact O-CG 3.33Å; S591-L595 PolarHBondContact O-N 3.42Å; S591-L595 VanDerWaalsContact O-N 3.15Å; H592-L595 PolarHBondContact O-N 3.41Å; H592-L595 VanDerWaalsContact O-N 3.13Å; L595-W597 VanDerWaalsContact C-N 3.31Å; L595-W597 PolarHBondContact O-N 2.75Å; L595-L598 PolarHBondContact O-N 3.15Å; L595-E599 PolarHBondContact O-N 3.36Å; L595-E599 VanDerWaalsContact O-N 3.1Å; L595-V682 HydrophobicContact CD2-CG1 4.34Å; L595-I683 HydrophobicContact CD1-CD1 4.49Å; L595-I683 HydrophobicContact CD2-CD1 4.39Å; L595-I683 HydrophobicContact CD2-CG1 3.66Å; L595-I683 HydrophobicContact CG-CD1 4.03Å; L595-I683 HydrophobicContact CG-CG1 3.83Å
596L93.1Very high92.9Very high106 Ų10658.1 Ų58.156%0.55528%0.284SS*.Hα-helixtrans-60.6-40.8175.4-68.9-178.5000112.1H592 E599 N600H592-L596 WeakPolarHBondContact NE2-CD1 3.28Å; H592-L596 PolarHBondContact O-N 3.02Å; L596-E599 PolarHBondContact O-N 3.1Å; L596-N600 PolarHBondContact O-N 2.96Å
597W96.4Very high93Very high68 Ų6859.2 Ų59.226%0.25829%0.289SS..Hα-helixtrans-67.2-41.9178.4175.686.7000112.4G593 L595 E599 N600 I601 E633 L634 S637 L687G593-W597 WeakPolarHBondContact O-CB 3.32Å; G593-W597 PolarHBondContact O-N 2.81Å; L595-W597 VanDerWaalsContact C-N 3.31Å; L595-W597 PolarHBondContact O-N 2.75Å; W597-E599 VanDerWaalsContact C-N 3.28Å; W597-E599 PolarHBondContact O-N 3.5Å; W597-N600 PolarHBondContact O-N 2.96Å; W597-I601 HydrophobicContact CD2-CG1 4.11Å; W597-I601 HydrophobicContact CE3-CG1 4.38Å; W597-I601 HydrophobicContact CH2-CD1 4.33Å; W597-I601 HydrophobicContact CH2-CG1 3.94Å; W597-I601 HydrophobicContact CZ2-CD1 3.76Å; W597-I601 HydrophobicContact CZ2-CG1 3.65Å; W597-I601 HydrophobicContact CZ3-CG1 4.3Å; W597-I601 WeakPolarHBondContact O-CG1 3.35Å; W597-I601 PolarHBondContact O-N 3.13Å; W597-E633 HydrophobicContact CZ2-CB 4.03Å; W597-L634 HydrophobicContact CH2-CD2 4.07Å; W597-L634 HydrophobicContact CZ3-CD2 4.37Å; W597-S637 WeakPolarHBondContact CH2-OG 3.31Å; W597-S637 WeakPolarHBondContact CZ3-OG 3.45Å; W597-L687 HydrophobicContact CZ3-CD1 4.33Å
598L95.4Very high92.9Very high4 Ų459.6 Ų59.62%0.02129%0.292CS..Hα-helixtrans-59.9-38.7174.2-77.6166000111.8L594 L595 I601 D602 I683 R686 L687 L690L594-L598 WeakPolarHBondContact O-CB 3.38Å; L594-L598 WeakPolarHBondContact O-CD1 3.31Å; L594-L598 WeakPolarHBondContact O-CG 3.22Å; L594-L598 PolarHBondContact O-N 3.33Å; L595-L598 PolarHBondContact O-N 3.15Å; L598-I601 WeakPolarHBondContact O-CB 3.46Å; L598-I601 PolarHBondContact O-N 3.3Å; L598-D602 PolarHBondContact O-N 2.94Å; L598-D602 VanDerWaalsContact O-N 3.08Å; L598-I683 HydrophobicContact CD1-CB 4.49Å; L598-I683 HydrophobicContact CD1-CG2 4.13Å; L598-R686 HydrophobicContact CB-CG 4.27Å; L598-R686 HydrophobicContact CD1-CB 4.25Å; L598-R686 HydrophobicContact CD1-CG 4.2Å; L598-R686 HydrophobicContact CD2-CG 4.45Å; L598-L687 HydrophobicContact CD2-CB 4.11Å; L598-L687 HydrophobicContact CD2-CD1 3.91Å; L598-L690 HydrophobicContact CB-CD1 4.47Å; L598-L690 HydrophobicContact CD2-CD1 3.87Å
599E93.9Very high92.9Very high107 Ų10757.8 Ų57.850%0.529%0.285SS..Hα-helixtrans-71.9-39178.7-165.758.1-159.900112.2L595 L596 W597 I601 D602 R603 R686L595-E599 PolarHBondContact O-N 3.36Å; L595-E599 VanDerWaalsContact O-N 3.1Å; L596-E599 PolarHBondContact O-N 3.1Å; W597-E599 VanDerWaalsContact C-N 3.28Å; W597-E599 PolarHBondContact O-N 3.5Å; E599-I601 VanDerWaalsContact C-N 3.27Å; E599-I601 PolarHBondContact O-N 3.42Å; E599-D602 PolarHBondContact O-N 3.29Å; E599-R603 WeakPolarHBondContact O-CB 3.47Å; E599-R603 PolarHBondContact O-N 3.42Å; E599-R686 IonicContact OE1-NH2 3.4Å; E599-R686 IonicContact OE2-CZ 2.83Å; E599-R686 IonicContact OE2-NH2 3.88Å; E599-R686 PolarHBondContact OE2-NH2 2.87Å
600N94.8Very high92.5Very high59 Ų5956.6 Ų56.632%0.31629%0.29SS..Hα-helixtrans-63.7-31.9170.6179.249.3000112.7L596 W597 R603 R604L596-N600 PolarHBondContact O-N 2.96Å; W597-N600 PolarHBondContact O-N 2.96Å; N600-R603 PolarHBondContact OD1-NE 3.48Å; N600-R603 PolarHBondContact OD1-NH2 3.06Å; N600-R604 WeakPolarHBondContact O-CB 3.46Å; N600-R604 WeakPolarHBondContact O-CD 3.48Å; N600-R604 VanDerWaalsContact O-CG 3.24Å; N600-R604 WeakPolarHBondContact O-CG 3.43Å; N600-R604 PolarHBondContact O-N 3.3Å
601I94.9Very high91.8Very high0 Ų056 Ų560%029%0.286CS..Hα-helixtrans-65.9-45.8172.9-71.8-74000111.1W597 L598 E599 R604 R605 I630 E633 L634 L690W597-I601 HydrophobicContact CD2-CG1 4.11Å; W597-I601 HydrophobicContact CE3-CG1 4.38Å; W597-I601 HydrophobicContact CH2-CD1 4.33Å; W597-I601 HydrophobicContact CH2-CG1 3.94Å; W597-I601 HydrophobicContact CZ2-CD1 3.76Å; W597-I601 HydrophobicContact CZ2-CG1 3.65Å; W597-I601 HydrophobicContact CZ3-CG1 4.3Å; W597-I601 WeakPolarHBondContact O-CG1 3.35Å; W597-I601 PolarHBondContact O-N 3.13Å; L598-I601 WeakPolarHBondContact O-CB 3.46Å; L598-I601 PolarHBondContact O-N 3.3Å; E599-I601 VanDerWaalsContact C-N 3.27Å; E599-I601 PolarHBondContact O-N 3.42Å; I601-R604 PolarHBondContact O-N 3.18Å; I601-R605 WeakPolarHBondContact O-CB 3.45Å; I601-R605 PolarHBondContact O-N 2.64Å; I601-I630 HydrophobicContact CD1-CG1 4.43Å; I601-I630 HydrophobicContact CD1-CG2 4.28Å; I601-I630 HydrophobicContact CG2-CG2 3.65Å; I601-E633 HydrophobicContact CD1-CB 4.37Å; I601-L634 HydrophobicContact CG2-CD1 4.26Å; I601-L634 HydrophobicContact CG2-CD2 4.06Å; I601-L634 HydrophobicContact CG2-CG 4.2Å; I601-L690 HydrophobicContact CG2-CD1 4.24Å
602D94.2Very high91.2Very high16 Ų1659.3 Ų59.39%0.08631%0.309CS..Hα-helixtrans-67.8-38.5177.8-158.430.1000111.5L598 E599 R604 R605 N606 R686 L690L598-D602 PolarHBondContact O-N 2.94Å; L598-D602 VanDerWaalsContact O-N 3.08Å; E599-D602 PolarHBondContact O-N 3.29Å; D602-R604 PolarHBondContact O-N 3.43Å; D602-R605 WeakPolarHBondContact O-CB 3.47Å; D602-R605 PolarHBondContact O-N 2.84Å; D602-R605 VanDerWaalsContact O-N 3.15Å; D602-R605 IonicContact OD1-NH1 3.13Å; D602-R605 PolarHBondContact OD1-NH1 3.31Å; D602-R605 VanDerWaalsContact OD1-NH1 3.14Å; D602-N606 WeakPolarHBondContact O-CB 3.34Å; D602-N606 PolarHBondContact O-N 3.34Å; D602-N606 PolarHBondContact O-ND2 2.6Å; D602-N606 VanDerWaalsContact O-ND2 3.08Å; D602-R686 VanDerWaalsContact CG-NH1 3.34Å; D602-R686 IonicContact OD1-NH1 3.25Å; D602-R686 IonicContact OD2-CZ 2.76Å; D602-R686 VanDerWaalsContact OD2-CZ 3.23Å; D602-R686 IonicContact OD2-NH1 3.99Å; D602-R686 PolarHBondContact OD2-NH1 3.28Å; D602-R686 IonicContact OD2-NH2 3.93Å; D602-R686 PolarHBondContact OD2-NH2 2.89Å; D602-L690 HydrophobicContact CB-CD2 3.76Å; D602-L690 VanDerWaalsContact OD1-CD2 3.32Å; D602-L690 WeakPolarHBondContact OD1-CD2 3.21Å
603R94.1Very high90.3Very high118 Ų11862.3 Ų62.345%0.44532%0.324SS..Hα-helixtrans-55.2-50.2170.8-168.7-167.966.269.211111.7E599 N600 R605 N606 E607E599-R603 WeakPolarHBondContact O-CB 3.47Å; E599-R603 PolarHBondContact O-N 3.42Å; N600-R603 PolarHBondContact OD1-NE 3.48Å; N600-R603 PolarHBondContact OD1-NH2 3.06Å; R603-R605 VanDerWaalsContact C-N 3.27Å; R603-R605 PolarHBondContact O-N 3.04Å; R603-N606 PolarHBondContact O-N 3.35Å; R603-E607 IonicContact CZ-OE1 3.74Å; R603-E607 VanDerWaalsContact NH1-CD 3.32Å; R603-E607 IonicContact NH1-OE1 2.73Å; R603-E607 PolarHBondContact NH1-OE1 3.28Å; R603-E607 IonicContact NH1-OE2 3.13Å; R603-E607 WeakPolarHBondContact O-CG 3.07Å; R603-E607 PolarHBondContact O-N 3.39Å
604R94.6Very high89.3Confident40 Ų4068.1 Ų68.115%0.15135%0.346CS..Hα-helixtrans-63.9-29.1177.1-75166.858.4-160.2-1.4113.7N600 I601 D602 E607 I630 E633N600-R604 WeakPolarHBondContact O-CB 3.46Å; N600-R604 WeakPolarHBondContact O-CD 3.48Å; N600-R604 VanDerWaalsContact O-CG 3.24Å; N600-R604 WeakPolarHBondContact O-CG 3.43Å; N600-R604 PolarHBondContact O-N 3.3Å; I601-R604 PolarHBondContact O-N 3.18Å; D602-R604 PolarHBondContact O-N 3.43Å; R604-E607 WeakPolarHBondContact CA-OE2 3.31Å; R604-I630 HydrophobicContact CB-CD1 3.93Å; R604-E633 IonicContact CZ-OE1 3.78Å; R604-E633 IonicContact CZ-OE2 2.72Å; R604-E633 IonicContact NH1-OE1 2.72Å; R604-E633 PolarHBondContact NH1-OE1 3.32Å; R604-E633 IonicContact NH1-OE2 3.8Å; R604-E633 PolarHBondContact NH1-OE2 3.41Å; R604-E633 IonicContact NH2-OE1 3.27Å; R604-E633 PolarHBondContact NH2-OE1 3.29Å; R604-E633 IonicContact NH2-OE2 3.62Å
605R93.7Very high88.5Confident29 Ų2968.5 Ų68.511%0.10935%0.351CS..Hα-helixtrans-72.5-44.6172.7173.8-172.7169.5-101.3-15.2110.9I601 D602 R603 E607 V608 V609 L627 V694 D697I601-R605 WeakPolarHBondContact O-CB 3.45Å; I601-R605 PolarHBondContact O-N 2.64Å; D602-R605 WeakPolarHBondContact O-CB 3.47Å; D602-R605 PolarHBondContact O-N 2.84Å; D602-R605 VanDerWaalsContact O-N 3.15Å; D602-R605 IonicContact OD1-NH1 3.13Å; D602-R605 PolarHBondContact OD1-NH1 3.31Å; D602-R605 VanDerWaalsContact OD1-NH1 3.14Å; R603-R605 VanDerWaalsContact C-N 3.27Å; R603-R605 PolarHBondContact O-N 3.04Å; R605-E607 PolarHBondContact O-N 3Å; R605-V608 CarbonylContact O-C 3.59Å; R605-V608 WeakPolarHBondContact O-CG2 3.48Å; R605-V608 PolarHBondContact O-N 2.67Å; R605-V609 HydrophobicContact CG-CG2 4.48Å; R605-V609 PolarHBondContact O-N 3.19Å; R605-L627 HydrophobicContact CG-CD2 4.21Å; R605-V694 HydrophobicContact CG-CG2 4.31Å; R605-D697 IonicContact CZ-OD2 2.83Å; R605-D697 VanDerWaalsContact CZ-OD2 3.25Å; R605-D697 IonicContact NE-OD2 3.28Å; R605-D697 PolarHBondContact NE-OD2 2.96Å; R605-D697 IonicContact NH2-OD1 2.67Å; R605-D697 IonicContact NH2-OD2 3.72Å; R605-D697 PolarHBondContact NH2-OD2 3.15Å
606N92.8Very high88Confident85 Ų8569.3 Ų69.346%0.45536%0.355SS..Hα-helixtrans-71.2-16.2-179.9-64.1-29.6000113.1D602 R603 V608 V609D602-N606 WeakPolarHBondContact O-CB 3.34Å; D602-N606 PolarHBondContact O-N 3.34Å; D602-N606 PolarHBondContact O-ND2 2.6Å; D602-N606 VanDerWaalsContact O-ND2 3.08Å; R603-N606 PolarHBondContact O-N 3.35Å; N606-V608 VanDerWaalsContact C-N 3.33Å; N606-V609 CarbonylContact C-O 3.59Å; N606-V609 WeakPolarHBondContact CA-O 3.43Å
607E90.7Very high87.7Confident123 Ų12367.2 Ų67.258%0.57534%0.34SS*.THydrogen-bonded Turntrans-69.8-25.8165.5-74.2172.3151.100113.2R603 R604 R605R603-E607 IonicContact CZ-OE1 3.74Å; R603-E607 VanDerWaalsContact NH1-CD 3.32Å; R603-E607 IonicContact NH1-OE1 2.73Å; R603-E607 PolarHBondContact NH1-OE1 3.28Å; R603-E607 IonicContact NH1-OE2 3.13Å; R603-E607 WeakPolarHBondContact O-CG 3.07Å; R603-E607 PolarHBondContact O-N 3.39Å; R604-E607 WeakPolarHBondContact CA-OE2 3.31Å; R605-E607 PolarHBondContact O-N 3Å
608V88.9Confident87.1Confident13 Ų1370.4 Ų70.48%0.07936%0.358CS..THydrogen-bonded Turntrans-112.4-9.1-177.3-66.40000114.3R605 N606 V611 H623 T626 L627R605-V608 CarbonylContact O-C 3.59Å; R605-V608 WeakPolarHBondContact O-CG2 3.48Å; R605-V608 PolarHBondContact O-N 2.67Å; N606-V608 VanDerWaalsContact C-N 3.33Å; V608-V611 WeakPolarHBondContact O-CG2 3.3Å; V608-H623 WeakPolarHBondContact CA-ND1 3.42Å; V608-H623 HydrophobicContact CB-CB 4.12Å; V608-H623 WeakPolarHBondContact CB-ND1 3.31Å; V608-H623 HydrophobicContact CG1-CB 4.3Å; V608-H623 PolarHBondContact O-ND1 3.35Å; V608-T626 HydrophobicContact CG1-CG2 4.17Å; V608-T626 HydrophobicContact CG2-CG2 4.46Å; V608-L627 HydrophobicContact CG2-CD1 4.48Å; V608-L627 HydrophobicContact CG2-CD2 3.75Å; V608-L627 HydrophobicContact CG2-CG 3.88Å
609V87.4Confident86.7Confident24 Ų2471.4 Ų71.415%0.14537%0.365CS..  trans-130.8128.3178.3-178.90000108.7R605 N606 L627 D697R605-V609 HydrophobicContact CG-CG2 4.48Å; R605-V609 PolarHBondContact O-N 3.19Å; N606-V609 CarbonylContact C-O 3.59Å; N606-V609 WeakPolarHBondContact CA-O 3.43Å; V609-L627 HydrophobicContact CG2-CD1 4.32Å; V609-L627 HydrophobicContact CG2-CD2 4.43Å; V609-D697 HydrophobicContact CG2-CB 4.02Å
610P81.4Confident86.5Confident125 Ų12566.3 Ų66.381%0.81234%0.341SS*.SBendcis-76.6131.510.3-16.732.3000114.2S612P610-S612 PolarHBondContact O-N 3Å; P610-S612 VanDerWaalsContact O-N 3.15Å
611V77.2Confident86.2Confident26 Ų2671 Ų7116%0.15835%0.354CS..  trans-68.4112175.7-171.40000109.2V608 L620 L701 R704V608-V611 WeakPolarHBondContact O-CG2 3.3Å; V611-L620 HydrophobicContact CG1-CD2 3.45Å; V611-L620 VanDerWaalsContact CG1-CD2 3.45Å; V611-L701 HydrophobicContact CG1-CD1 4.1Å; V611-L701 HydrophobicContact CG2-CD1 4.31Å; V611-R704 PolarHBondContact O-NH1 2.82Å
612S77.5Confident86Confident74 Ų7476.9 Ų76.952%0.51738%0.376SS..  trans-58.1145-176.665.40000112.3P610 N614 A615 R704P610-S612 PolarHBondContact O-N 3Å; P610-S612 VanDerWaalsContact O-N 3.15Å; S612-N614 VanDerWaalsContact C-N 3.25Å; S612-N614 PolarHBondContact O-N 2.98Å; S612-A615 PolarHBondContact O-N 2.84Å; S612-R704 PolarHBondContact O-NH1 3.35Å; S612-R704 PolarHBondContact O-NH2 3.45Å
613Q72.8Confident85.9Confident177 Ų17778 Ų7883%0.82738%0.381SS*.THydrogen-bonded Turntrans-66.2-28.7-172.8-69.7-178.2-3.400112.9R704Q613-R704 PolarHBondContact O-NH2 2.95Å; Q613-R704 VanDerWaalsContact O-NH2 3.12Å
614N72.1Confident85.8Confident161 Ų16174.6 Ų74.686%0.86137%0.37SS*.THydrogen-bonded Turntrans-10016.4-177.3-57.9-7.9000113.5S612S612-N614 VanDerWaalsContact C-N 3.25Å; S612-N614 PolarHBondContact O-N 2.98Å
615A79.3Confident85.7Confident19 Ų1980 Ų8016%0.15740%0.395CS..  trans-62.8138.1178.900000112.2S612 T619 L620S612-A615 PolarHBondContact O-N 2.84Å; A615-T619 HydrophobicContact CB-CG2 4.39Å; A615-L620 HydrophobicContact CB-CD2 3.87Å; A615-L620 HydrophobicContact CB-CG 4.13Å
616D83.6Confident85.7Confident81 Ų8180.9 Ų80.943%0.43340%0.403SS..  trans-71.7158.4174.564.6-78.6000112.4E618 T619 L620 R622D616-E618 VanDerWaalsContact C-N 3.3Å; D616-E618 PolarHBondContact O-N 2.79Å; D616-E618 WeakPolarHBondContact OD2-CB 3.26Å; D616-E618 PolarHBondContact OD2-N 3.25Å; D616-E618 VanDerWaalsContact OD2-N 3.15Å; D616-T619 VanDerWaalsContact CG-OG1 3.23Å; D616-T619 PolarHBondContact O-N 3.06Å; D616-T619 VanDerWaalsContact O-N 3.09Å; D616-T619 WeakPolarHBondContact OD1-CB 3.39Å; D616-T619 PolarHBondContact OD1-OG1 2.95Å; D616-T619 PolarHBondContact OD2-N 2.84Å; D616-T619 PolarHBondContact OD2-OG1 3.42Å; D616-L620 WeakPolarHBondContact O-CG 3.37Å; D616-L620 PolarHBondContact O-N 3.46Å; D616-R622 IonicContact OD2-NH2 3.62Å
617Y85Confident85.8Confident62 Ų6276.9 Ų76.924%0.24338%0.382CS..Hα-helixtrans-58-36.8-178.1177.2-98.8000113.5L620 R621 L705 T708 E709Y617-L620 PolarHBondContact O-N 2.85Å; Y617-R621 VanDerWaalsContact O-CB 3.25Å; Y617-R621 WeakPolarHBondContact O-CB 3.34Å; Y617-R621 PolarHBondContact O-N 3.47Å; Y617-L705 HydrophobicContact CD2-CG 4.44Å; Y617-L705 HydrophobicContact CE2-CD2 3.88Å; Y617-L705 HydrophobicContact CE2-CG 3.94Å; Y617-T708 HydrophobicContact CD2-CG2 4.2Å; Y617-E709 HydrophobicContact CD2-CG 4.28Å; Y617-E709 HydrophobicContact CE2-CG 3.52Å; Y617-E709 WeakPolarHBondContact CE2-OE1 3.19Å; Y617-E709 VanDerWaalsContact CZ-OE1 3.27Å; Y617-E709 PolarHBondContact OH-OE1 2.88Å
618E85.3Confident86Confident135 Ų13574.6 Ų74.663%0.63137%0.372SS*.Hα-helixtrans-70-34.8177.6-63.3-161.1165.700112.1D616 R621 R622D616-E618 VanDerWaalsContact C-N 3.3Å; D616-E618 PolarHBondContact O-N 2.79Å; D616-E618 WeakPolarHBondContact OD2-CB 3.26Å; D616-E618 PolarHBondContact OD2-N 3.25Å; D616-E618 VanDerWaalsContact OD2-N 3.15Å; E618-R621 PolarHBondContact O-N 3.03Å; E618-R622 WeakPolarHBondContact O-CB 3.23Å; E618-R622 WeakPolarHBondContact O-CG 3.46Å; E618-R622 PolarHBondContact O-N 2.89Å; E618-R622 PolarHBondContact O-NE 3.26Å
619T87.1Confident86.3Confident26 Ų2678.9 Ų78.916%0.1639%0.391CS..Hα-helixtrans-68.3-45.7173.5-63.80000111.2A615 D616 R621 R622 H623A615-T619 HydrophobicContact CB-CG2 4.39Å; D616-T619 VanDerWaalsContact CG-OG1 3.23Å; D616-T619 PolarHBondContact O-N 3.06Å; D616-T619 VanDerWaalsContact O-N 3.09Å; D616-T619 WeakPolarHBondContact OD1-CB 3.39Å; D616-T619 PolarHBondContact OD1-OG1 2.95Å; D616-T619 PolarHBondContact OD2-N 2.84Å; D616-T619 PolarHBondContact OD2-OG1 3.42Å; T619-R621 VanDerWaalsContact C-N 3.29Å; T619-R621 PolarHBondContact O-N 3.45Å; T619-R622 VanDerWaalsContact N-NH2 3.18Å; T619-R622 PolarHBondContact O-N 3.43Å; T619-R622 VanDerWaalsContact OG1-CZ 3.32Å; T619-R622 PolarHBondContact OG1-NH1 3.47Å; T619-R622 PolarHBondContact OG1-NH2 2.92Å; T619-H623 WeakPolarHBondContact CG2-NE2 3.24Å; T619-H623 PolarHBondContact O-CD2 3.33Å; T619-H623 PolarHBondContact O-N 3.16Å
620L88.3Confident86.7Confident0 Ų077.7 Ų77.70%038%0.384CS..Hα-helixtrans-55.9-45.1172.8-64.9174000111.3V611 A615 D616 Y617 H623 H624 L701 L705V611-L620 HydrophobicContact CG1-CD2 3.45Å; V611-L620 VanDerWaalsContact CG1-CD2 3.45Å; A615-L620 HydrophobicContact CB-CD2 3.87Å; A615-L620 HydrophobicContact CB-CG 4.13Å; D616-L620 WeakPolarHBondContact O-CG 3.37Å; D616-L620 PolarHBondContact O-N 3.46Å; Y617-L620 PolarHBondContact O-N 2.85Å; L620-H623 PolarHBondContact O-N 3.08Å; L620-H624 PolarHBondContact O-N 2.98Å; L620-L701 HydrophobicContact CB-CD1 4.08Å; L620-L701 HydrophobicContact CD2-CD1 3.59Å; L620-L701 HydrophobicContact CG-CD1 4.44Å; L620-L705 HydrophobicContact CB-CD1 3.74Å
621R89Confident87.3Confident157 Ų15774.8 Ų74.859%0.59236%0.359SS*.Hα-helixtrans-68.3-35.9178.5-167.6176.2-177.3-153.63.4113.2Y617 E618 T619 K625Y617-R621 VanDerWaalsContact O-CB 3.25Å; Y617-R621 WeakPolarHBondContact O-CB 3.34Å; Y617-R621 PolarHBondContact O-N 3.47Å; E618-R621 PolarHBondContact O-N 3.03Å; T619-R621 VanDerWaalsContact C-N 3.29Å; T619-R621 PolarHBondContact O-N 3.45Å; R621-K625 PolarHBondContact O-N 3Å; R621-K625 VanDerWaalsContact O-N 3.13Å
622R90.3Very high88.1Confident124 Ų12476.8 Ų76.847%0.46837%0.373SS..Hα-helixtrans-62.7-48.8170.5-87.2-179.9-90.6104.94.5111.2D616 E618 T619 H624 K625 T626D616-R622 IonicContact OD2-NH2 3.62Å; E618-R622 WeakPolarHBondContact O-CB 3.23Å; E618-R622 WeakPolarHBondContact O-CG 3.46Å; E618-R622 PolarHBondContact O-N 2.89Å; E618-R622 PolarHBondContact O-NE 3.26Å; T619-R622 VanDerWaalsContact N-NH2 3.18Å; T619-R622 PolarHBondContact O-N 3.43Å; T619-R622 VanDerWaalsContact OG1-CZ 3.32Å; T619-R622 PolarHBondContact OG1-NH1 3.47Å; T619-R622 PolarHBondContact OG1-NH2 2.92Å; R622-H624 VanDerWaalsContact C-N 3.32Å; R622-H624 PolarHBondContact O-N 3.1Å; R622-K625 PolarHBondContact O-N 3.29Å; R622-T626 PolarHBondContact O-N 3.13Å; R622-T626 PolarHBondContact O-OG1 2.91Å
623H92.4Very high89Confident38 Ų3875.5 Ų75.518%0.17636%0.359CS..Hα-helixtrans-61.3-41.1179.6-73.1-142.1000111.3V608 T619 L620 K625 T626 L627 L701V608-H623 WeakPolarHBondContact CA-ND1 3.42Å; V608-H623 HydrophobicContact CB-CB 4.12Å; V608-H623 WeakPolarHBondContact CB-ND1 3.31Å; V608-H623 HydrophobicContact CG1-CB 4.3Å; V608-H623 PolarHBondContact O-ND1 3.35Å; T619-H623 WeakPolarHBondContact CG2-NE2 3.24Å; T619-H623 PolarHBondContact O-CD2 3.33Å; T619-H623 PolarHBondContact O-N 3.16Å; L620-H623 PolarHBondContact O-N 3.08Å; H623-K625 PolarHBondContact O-N 3.1Å; H623-T626 PolarHBondContact O-N 2.86Å; H623-L627 PolarHBondContact O-N 3.37Å; H623-L701 HydrophobicContact CB-CD2 3.7Å
624H92.3Very high90Very high48 Ų4867 Ų6722%0.22232%0.319CS..Hα-helixtrans-62.5-43.6176.3174.688.2000111.5L620 R622 T626 L627 M628 L701 E702L620-H624 PolarHBondContact O-N 2.98Å; R622-H624 VanDerWaalsContact C-N 3.32Å; R622-H624 PolarHBondContact O-N 3.1Å; H624-T626 VanDerWaalsContact C-N 3.35Å; H624-T626 PolarHBondContact O-N 3.46Å; H624-L627 PolarHBondContact O-N 3.41Å; H624-M628 WeakPolarHBondContact O-CB 3.33Å; H624-M628 WeakPolarHBondContact O-CG 3.3Å; H624-M628 PolarHBondContact O-N 3.44Å; H624-L701 HydrophobicContact CB-CD2 3.81Å; H624-L701 HydrophobicContact CB-CG 4.16Å; H624-L701 VanDerWaalsContact N-CD2 3.29Å; H624-E702 IonicContact CE1-OE1 2.61Å; H624-E702 PolarHBondContact CE1-OE1 3.35Å; H624-E702 IonicContact ND1-OE1 2.69Å
625K93.4Very high91Very high154 Ų15463.5 Ų63.567%0.6730%0.3SS*.Hα-helixtrans-59.9-43.6174.7-171.5-174.3175.7-169.80111.8R621 R622 H623 M628 Q629R621-K625 PolarHBondContact O-N 3Å; R621-K625 VanDerWaalsContact O-N 3.13Å; R622-K625 PolarHBondContact O-N 3.29Å; H623-K625 PolarHBondContact O-N 3.1Å; K625-M628 PolarHBondContact O-N 3Å; K625-Q629 PolarHBondContact O-N 3.15Å
626T93.5Very high91.6Very high47 Ų4768.4 Ų68.429%0.28832%0.323SS..Hα-helixtrans-62.9-47.4178-590000112V608 R622 H623 H624 M628 Q629 I630V608-T626 HydrophobicContact CG1-CG2 4.17Å; V608-T626 HydrophobicContact CG2-CG2 4.46Å; R622-T626 PolarHBondContact O-N 3.13Å; R622-T626 PolarHBondContact O-OG1 2.91Å; H623-T626 PolarHBondContact O-N 2.86Å; H624-T626 VanDerWaalsContact C-N 3.35Å; H624-T626 PolarHBondContact O-N 3.46Å; T626-M628 PolarHBondContact O-N 3.2Å; T626-Q629 WeakPolarHBondContact O-CB 3.25Å; T626-Q629 PolarHBondContact O-N 3.5Å; T626-I630 HydrophobicContact CG2-CD1 4.06Å; T626-I630 WeakPolarHBondContact O-CG1 3.43Å; T626-I630 PolarHBondContact O-N 3.31Å
627L94.8Very high91.9Very high0 Ų064.9 Ų64.90%031%0.305CS..Hα-helixtrans-66.2-36.7178.1-70.5173.1000112.4R605 V608 V609 H623 H624 I630 K631 V694 D697 L698 L701R605-L627 HydrophobicContact CG-CD2 4.21Å; V608-L627 HydrophobicContact CG2-CD1 4.48Å; V608-L627 HydrophobicContact CG2-CD2 3.75Å; V608-L627 HydrophobicContact CG2-CG 3.88Å; V609-L627 HydrophobicContact CG2-CD1 4.32Å; V609-L627 HydrophobicContact CG2-CD2 4.43Å; H623-L627 PolarHBondContact O-N 3.37Å; H624-L627 PolarHBondContact O-N 3.41Å; L627-I630 PolarHBondContact O-N 3.36Å; L627-K631 WeakPolarHBondContact O-CB 3.42Å; L627-K631 PolarHBondContact O-N 3Å; L627-V694 HydrophobicContact CB-CG1 4.39Å; L627-V694 HydrophobicContact CD2-CG1 4.3Å; L627-V694 WeakPolarHBondContact O-CG1 3.37Å; L627-D697 HydrophobicContact CD1-CB 3.92Å; L627-L698 HydrophobicContact CB-CD1 4.33Å; L627-L698 HydrophobicContact CB-CD2 3.55Å; L627-L698 HydrophobicContact CB-CG 3.73Å; L627-L698 HydrophobicContact CD1-CD2 4.48Å; L627-L698 HydrophobicContact CD1-CG 4.47Å; L627-L701 HydrophobicContact CD1-CD2 4.04Å
628M93.9Very high92.3Very high76 Ų7664.8 Ų64.837%0.37431%0.307SS..Hα-helixtrans-63.8-40.1173-80.6-61.8-7200112H624 K625 T626 K631 C632 L698H624-M628 WeakPolarHBondContact O-CB 3.33Å; H624-M628 WeakPolarHBondContact O-CG 3.3Å; H624-M628 PolarHBondContact O-N 3.44Å; K625-M628 PolarHBondContact O-N 3Å; T626-M628 PolarHBondContact O-N 3.2Å; M628-K631 PolarHBondContact O-N 2.93Å; M628-C632 PolarHBondContact O-N 3.19Å; M628-C632 VanDerWaalsContact O-N 3.16Å; M628-L698 HydrophobicContact CG-CD1 4.36Å; M628-L698 HydrophobicContact CG-CD2 3.71Å; M628-L698 HydrophobicContact SD-CD1 3.74Å; M628-L698 HydrophobicContact SD-CD2 3.99Å
629Q96.1Very high92.6Very high102 Ų10265.5 Ų65.548%0.47731%0.31SS..Hα-helixtrans-62.5-48.5174.6-163.4-168.1-56.300111K625 T626 K631 C632 E633K625-Q629 PolarHBondContact O-N 3.15Å; T626-Q629 WeakPolarHBondContact O-CB 3.25Å; T626-Q629 PolarHBondContact O-N 3.5Å; Q629-K631 VanDerWaalsContact C-N 3.27Å; Q629-K631 PolarHBondContact O-N 2.91Å; Q629-C632 WeakPolarHBondContact O-CB 3.32Å; Q629-C632 PolarHBondContact O-N 3.38Å; Q629-C632 VanDerWaalsContact O-N 3.12Å; Q629-E633 WeakPolarHBondContact CG-OE1 3.42Å; Q629-E633 PolarHBondContact NE2-OE1 3.48Å; Q629-E633 WeakPolarHBondContact O-CG 3.27Å; Q629-E633 PolarHBondContact O-N 3.43Å
630I95.6Very high92.8Very high0 Ų070.7 Ų70.70%033%0.331CS..Hα-helixtrans-56.5-40.8175.3-71.1167.1000111.4I601 R604 T626 L627 C632 E633 L634 V694I601-I630 HydrophobicContact CD1-CG1 4.43Å; I601-I630 HydrophobicContact CD1-CG2 4.28Å; I601-I630 HydrophobicContact CG2-CG2 3.65Å; R604-I630 HydrophobicContact CB-CD1 3.93Å; T626-I630 HydrophobicContact CG2-CD1 4.06Å; T626-I630 WeakPolarHBondContact O-CG1 3.43Å; T626-I630 PolarHBondContact O-N 3.31Å; L627-I630 PolarHBondContact O-N 3.36Å; I630-C632 VanDerWaalsContact C-N 3.35Å; I630-C632 PolarHBondContact O-N 3.19Å; I630-E633 PolarHBondContact O-N 3.36Å; I630-L634 HydrophobicContact CG2-CD1 3.72Å; I630-L634 HydrophobicContact CG2-CG 4.26Å; I630-L634 WeakPolarHBondContact O-CB 3.4Å; I630-L634 VanDerWaalsContact O-CG 3.29Å; I630-L634 WeakPolarHBondContact O-CG 3.29Å; I630-L634 PolarHBondContact O-N 3.14Å; I630-V694 HydrophobicContact CG2-CG1 4.16Å; I630-V694 HydrophobicContact CG2-CG2 3.82Å
631K94.6Very high93Very high64 Ų6470.8 Ų70.828%0.27833%0.331SS..Hα-helixtrans-64-35.3178-176.8165.2175.5169.20113.3L627 M628 Q629 L635 V694 S695 L698L627-K631 WeakPolarHBondContact O-CB 3.42Å; L627-K631 PolarHBondContact O-N 3Å; M628-K631 PolarHBondContact O-N 2.93Å; Q629-K631 VanDerWaalsContact C-N 3.27Å; Q629-K631 PolarHBondContact O-N 2.91Å; K631-L635 WeakPolarHBondContact O-CG 3.37Å; K631-L635 PolarHBondContact O-N 3.42Å; K631-V694 HydrophobicContact CB-CG1 4.03Å; K631-S695 PolarHBondContact NZ-OG 3.19Å; K631-L698 HydrophobicContact CB-CD1 4.16Å; K631-L698 HydrophobicContact CD-CD1 3.42Å; K631-L698 VanDerWaalsContact CD-CD1 3.42Å; K631-L698 HydrophobicContact CG-CD1 4.45Å
632C94.3Very high93.1Very high67 Ų6766 Ų6645%0.45332%0.322SS..Hα-helixtrans-68.7-50.4171.3-69.80000111.3M628 Q629 I630 L634 L635 D636M628-C632 PolarHBondContact O-N 3.19Å; M628-C632 VanDerWaalsContact O-N 3.16Å; Q629-C632 WeakPolarHBondContact O-CB 3.32Å; Q629-C632 PolarHBondContact O-N 3.38Å; Q629-C632 VanDerWaalsContact O-N 3.12Å; I630-C632 VanDerWaalsContact C-N 3.35Å; I630-C632 PolarHBondContact O-N 3.19Å; C632-L634 VanDerWaalsContact C-N 3.25Å; C632-L634 PolarHBondContact O-N 3.2Å; C632-L635 WeakPolarHBondContact O-CA 3.47Å; C632-L635 WeakPolarHBondContact O-CB 3.5Å; C632-L635 PolarHBondContact O-N 3Å; C632-D636 PolarHBondContact O-N 3.45Å
633E95.4Very high93.2Very high47 Ų4762.7 Ų62.722%0.2232%0.318CS..Hα-helixtrans-58-37.2179.2-64.1174-133.700112.2W597 I601 R604 Q629 I630 D636 S637W597-E633 HydrophobicContact CZ2-CB 4.03Å; I601-E633 HydrophobicContact CD1-CB 4.37Å; R604-E633 IonicContact CZ-OE1 3.78Å; R604-E633 IonicContact CZ-OE2 2.72Å; R604-E633 IonicContact NH1-OE1 2.72Å; R604-E633 PolarHBondContact NH1-OE1 3.32Å; R604-E633 IonicContact NH1-OE2 3.8Å; R604-E633 PolarHBondContact NH1-OE2 3.41Å; R604-E633 IonicContact NH2-OE1 3.27Å; R604-E633 PolarHBondContact NH2-OE1 3.29Å; R604-E633 IonicContact NH2-OE2 3.62Å; Q629-E633 WeakPolarHBondContact CG-OE1 3.42Å; Q629-E633 PolarHBondContact NE2-OE1 3.48Å; Q629-E633 WeakPolarHBondContact O-CG 3.27Å; Q629-E633 PolarHBondContact O-N 3.43Å; I630-E633 PolarHBondContact O-N 3.36Å; E633-D636 PolarHBondContact O-N 3.46Å; E633-S637 WeakPolarHBondContact O-CB 3.3Å; E633-S637 PolarHBondContact O-N 2.94Å; E633-S637 VanDerWaalsContact O-N 3.09Å
634L94.4Very high93.1Very high0 Ų061 Ų610%031%0.31CS..Hα-helixtrans-64.4-34.5172.3-77167.8000113.7W597 I601 I630 C632 S637 L687 L690 V694W597-L634 HydrophobicContact CH2-CD2 4.07Å; W597-L634 HydrophobicContact CZ3-CD2 4.37Å; I601-L634 HydrophobicContact CG2-CD1 4.26Å; I601-L634 HydrophobicContact CG2-CD2 4.06Å; I601-L634 HydrophobicContact CG2-CG 4.2Å; I630-L634 HydrophobicContact CG2-CD1 3.72Å; I630-L634 HydrophobicContact CG2-CG 4.26Å; I630-L634 WeakPolarHBondContact O-CB 3.4Å; I630-L634 VanDerWaalsContact O-CG 3.29Å; I630-L634 WeakPolarHBondContact O-CG 3.29Å; I630-L634 PolarHBondContact O-N 3.14Å; C632-L634 VanDerWaalsContact C-N 3.25Å; C632-L634 PolarHBondContact O-N 3.2Å; L634-S637 PolarHBondContact O-OG 2.96Å; L634-L687 HydrophobicContact CD2-CD1 3.59Å; L634-L690 HydrophobicContact CD1-CB 4.2Å; L634-L690 HydrophobicContact CD2-CB 4.07Å; L634-V694 HydrophobicContact CD1-CB 4.35Å; L634-V694 HydrophobicContact CD1-CG2 3.99Å
635L92.7Very high93Very high87 Ų8763.3 Ų63.346%0.45532%0.321SS..Hα-helixtrans-70.9-47.7174.4-78161000111.1K631 C632 S637 Q638K631-L635 WeakPolarHBondContact O-CG 3.37Å; K631-L635 PolarHBondContact O-N 3.42Å; C632-L635 WeakPolarHBondContact O-CA 3.47Å; C632-L635 WeakPolarHBondContact O-CB 3.5Å; C632-L635 PolarHBondContact O-N 3Å; L635-S637 VanDerWaalsContact C-N 3.27Å; L635-S637 PolarHBondContact O-N 3.3Å; L635-Q638 WeakPolarHBondContact O-CB 3.48Å; L635-Q638 WeakPolarHBondContact O-CG 3.25Å; L635-Q638 PolarHBondContact O-N 3.45Å; L635-Q638 VanDerWaalsContact O-N 3.11Å
636D91.1Very high92.8Very high121 Ų12161.7 Ų61.765%0.64732%0.316SS*.Hα-helixtrans-62.7-34.9-177.7-61.9-27.4000111.9C632 E633 Q638 Q639C632-D636 PolarHBondContact O-N 3.45Å; E633-D636 PolarHBondContact O-N 3.46Å; D636-Q638 PolarHBondContact O-N 3.16Å; D636-Q639 PolarHBondContact O-N 3.29Å
637S91.1Very high92.5Very high8 Ų860 Ų606%0.05631%0.305CS..Hα-helixtrans-64.6-18176.973.80000115W597 E633 L634 L635 Q639 K640 A641 L687W597-S637 WeakPolarHBondContact CH2-OG 3.31Å; W597-S637 WeakPolarHBondContact CZ3-OG 3.45Å; E633-S637 WeakPolarHBondContact O-CB 3.3Å; E633-S637 PolarHBondContact O-N 2.94Å; E633-S637 VanDerWaalsContact O-N 3.09Å; L634-S637 PolarHBondContact O-OG 2.96Å; L635-S637 VanDerWaalsContact C-N 3.27Å; L635-S637 PolarHBondContact O-N 3.3Å; S637-Q639 PolarHBondContact O-N 3.2Å; S637-K640 PolarHBondContact O-N 2.66Å; S637-K640 VanDerWaalsContact O-N 3.08Å; S637-A641 PolarHBondContact O-N 2.96Å; S637-A641 VanDerWaalsContact O-N 3.12Å; S637-L687 WeakPolarHBondContact OG-CD1 3.29Å
638Q93.1Very high92Very high60 Ų6060.4 Ų60.428%0.2831%0.308SS..Hα-helixtrans-61.6-29.7179.3-66.6-171.7-0.700112.7L635 D636 S642 W684 L687 Q691L635-Q638 WeakPolarHBondContact O-CB 3.48Å; L635-Q638 WeakPolarHBondContact O-CG 3.25Å; L635-Q638 PolarHBondContact O-N 3.45Å; L635-Q638 VanDerWaalsContact O-N 3.11Å; D636-Q638 PolarHBondContact O-N 3.16Å; Q638-S642 PolarHBondContact O-N 2.66Å; Q638-S642 PolarHBondContact O-OG 3.42Å; Q638-W684 HydrophobicContact CB-CH2 4.38Å; Q638-L687 HydrophobicContact CG-CD2 3.95Å; Q638-Q691 VanDerWaalsContact NE2-NE2 3.12Å; Q638-Q691 VanDerWaalsContact NE2-OE1 3.07Å
639Q91.3Very high91.4Very high150 Ų15059 Ų5970%0.70131%0.308SS*.Hα-helixtrans-65.5-44175-174.6174.2-9.900111D636 S637 A641 S642 S643D636-Q639 PolarHBondContact O-N 3.29Å; S637-Q639 PolarHBondContact O-N 3.2Å; Q639-A641 PolarHBondContact O-N 3.38Å; Q639-S642 WeakPolarHBondContact O-CA 3.23Å; Q639-S642 WeakPolarHBondContact O-CB 3.39Å; Q639-S642 PolarHBondContact O-N 3.26Å; Q639-S642 VanDerWaalsContact O-N 3.1Å; Q639-S643 PolarHBondContact O-N 3.44Å; Q639-S643 PolarHBondContact O-OG 3.5Å
640K90.4Very high90.5Very high135 Ų13557.7 Ų57.759%0.58730%0.302SS*.Hα-helixtrans-63.7-41.2177.5-62.1-173.9177.9-172.90112L594 S637 S642 S643 L644L594-K640 HydrophobicContact CD1-CB 4.14Å; L594-K640 HydrophobicContact CD2-CB 3.99Å; L594-K640 HydrophobicContact CD2-CD 4.32Å; S637-K640 PolarHBondContact O-N 2.66Å; S637-K640 VanDerWaalsContact O-N 3.08Å; K640-S642 PolarHBondContact O-N 2.94Å; K640-S643 PolarHBondContact O-N 3.41Å; K640-L644 PolarHBondContact O-N 2.9Å
641A92.9Very high89.5Confident1 Ų157.9 Ų57.91%0.00830%0.303CS..Hα-helixtrans-65.2-27.6174.200000112.9S637 Q639 Q645 I683 W684 L687S637-A641 PolarHBondContact O-N 2.96Å; S637-A641 VanDerWaalsContact O-N 3.12Å; Q639-A641 PolarHBondContact O-N 3.38Å; A641-Q645 PolarHBondContact O-N 3.31Å; A641-I683 HydrophobicContact CB-CG2 4.4Å; A641-W684 HydrophobicContact CB-CD2 4.2Å; A641-W684 HydrophobicContact CB-CH2 4.36Å; A641-W684 HydrophobicContact CB-CZ2 3.85Å; A641-W684 PolarHBondContact O-NE1 3.37Å; A641-W684 VanDerWaalsContact O-NE1 3.08Å; A641-L687 HydrophobicContact CB-CD2 4.1Å
642S91.7Very high88.1Confident56 Ų5656.2 Ų56.239%0.39230%0.297SS..Hα-helixtrans-74.4-44.7172.7-54.40000111.7Q638 Q639 K640 L644 Q645 E646Q638-S642 PolarHBondContact O-N 2.66Å; Q638-S642 PolarHBondContact O-OG 3.42Å; Q639-S642 WeakPolarHBondContact O-CA 3.23Å; Q639-S642 WeakPolarHBondContact O-CB 3.39Å; Q639-S642 PolarHBondContact O-N 3.26Å; Q639-S642 VanDerWaalsContact O-N 3.1Å; K640-S642 PolarHBondContact O-N 2.94Å; S642-L644 PolarHBondContact O-N 3.11Å; S642-Q645 WeakPolarHBondContact O-CB 3.45Å; S642-Q645 PolarHBondContact O-N 3.46Å; S642-Q645 VanDerWaalsContact O-N 3.17Å; S642-E646 PolarHBondContact O-N 2.9Å
643S91.4Very high86.3Confident56 Ų5658.3 Ų58.339%0.39231%0.307SS..Hα-helixtrans-60.8-41.5174.1-62.10000112.2Q639 K640 Q645 E646 L647Q639-S643 PolarHBondContact O-N 3.44Å; Q639-S643 PolarHBondContact O-OG 3.5Å; K640-S643 PolarHBondContact O-N 3.41Å; S643-Q645 VanDerWaalsContact C-N 3.31Å; S643-Q645 PolarHBondContact O-N 2.96Å; S643-E646 PolarHBondContact O-N 2.82Å; S643-E646 VanDerWaalsContact O-N 3.14Å; S643-L647 WeakPolarHBondContact O-CG 3.41Å; S643-L647 PolarHBondContact O-N 3.27Å
644L91.9Very high84.3Confident1 Ų160.2 Ų60.21%0.00532%0.319CS..Hα-helixtrans-61.8-38.9174.2-172.473.9000112.3F587 T590 L594 K640 S642 E646 S648 V680 I683F587-L644 HydrophobicContact CD2-CD1 3.42Å; F587-L644 VanDerWaalsContact CD2-CD1 3.42Å; F587-L644 HydrophobicContact CD2-CG 4.07Å; F587-L644 HydrophobicContact CE2-CD1 3.67Å; F587-L644 HydrophobicContact CE2-CG 3.89Å; F587-L644 HydrophobicContact CG-CD1 4.2Å; F587-L644 WeakPolarHBondContact O-CD1 3.4Å; T590-L644 HydrophobicContact CG2-CB 4.16Å; T590-L644 HydrophobicContact CG2-CD1 3.88Å; L594-L644 HydrophobicContact CD1-CD2 4.24Å; K640-L644 PolarHBondContact O-N 2.9Å; S642-L644 PolarHBondContact O-N 3.11Å; L644-E646 VanDerWaalsContact C-N 3.35Å; L644-S648 PolarHBondContact O-N 2.91Å; L644-V680 HydrophobicContact CD2-CG2 4.08Å; L644-V680 HydrophobicContact CG-CG2 4.02Å; L644-I683 HydrophobicContact CD2-CD1 3.45Å; L644-I683 VanDerWaalsContact CD2-CD1 3.45Å
645Q90.6Very high81.9Confident97 Ų9763.1 Ų63.145%0.45334%0.337SS..Hα-helixtrans-64.7-39.5174-177.6177.7-11.300111.4A641 S642 S643 S648 A649 V680A641-Q645 PolarHBondContact O-N 3.31Å; S642-Q645 WeakPolarHBondContact O-CB 3.45Å; S642-Q645 PolarHBondContact O-N 3.46Å; S642-Q645 VanDerWaalsContact O-N 3.17Å; S643-Q645 VanDerWaalsContact C-N 3.31Å; S643-Q645 PolarHBondContact O-N 2.96Å; Q645-S648 PolarHBondContact O-N 2.84Å; Q645-S648 PolarHBondContact O-OG 3.36Å; Q645-A649 PolarHBondContact O-N 3.3Å; Q645-V680 HydrophobicContact CB-CG1 3.89Å; Q645-V680 HydrophobicContact CG-CG1 4.12Å
646E88.9Confident79.4Confident120 Ų12065.6 Ų65.656%0.56134%0.34SS*.Hα-helixtrans-66.8-44.8175.8-167176.4166.400112.3S642 S643 L644 S648 A649 Q650S642-E646 PolarHBondContact O-N 2.9Å; S643-E646 PolarHBondContact O-N 2.82Å; S643-E646 VanDerWaalsContact O-N 3.14Å; L644-E646 VanDerWaalsContact C-N 3.35Å; E646-S648 VanDerWaalsContact C-N 3.32Å; E646-S648 PolarHBondContact O-N 2.87Å; E646-A649 CarbonylContact O-C 3.58Å; E646-A649 WeakPolarHBondContact O-CA 3.41Å; E646-A649 WeakPolarHBondContact O-CB 3.4Å; E646-A649 PolarHBondContact O-N 3.43Å; E646-Q650 WeakPolarHBondContact O-CG 3.34Å; E646-Q650 PolarHBondContact O-N 3.31Å; E646-Q650 PolarHBondContact OE1-NE2 2.95Å
647L86.4Confident76.8Confident13 Ų1364.7 Ų64.77%0.06834%0.341CS..Hα-helixtrans-56-45.8172.7-72.7168.6000111.4E586 F587 S643 A649 Q650 L651E586-L647 HydrophobicContact CB-CD1 4.38Å; E586-L647 HydrophobicContact CG-CD1 3.78Å; E586-L647 HydrophobicContact CG-CD2 4.49Å; F587-L647 HydrophobicContact CB-CB 4.45Å; F587-L647 HydrophobicContact CD2-CB 4.3Å; S643-L647 WeakPolarHBondContact O-CG 3.41Å; S643-L647 PolarHBondContact O-N 3.27Å; L647-A649 VanDerWaalsContact C-N 3.27Å; L647-A649 PolarHBondContact O-N 3.47Å; L647-Q650 PolarHBondContact O-N 3.05Å; L647-L651 WeakPolarHBondContact O-CG 3.35Å; L647-L651 PolarHBondContact O-N 3.06Å
648S85.2Confident74.4Confident8 Ų870 Ų706%0.05638%0.375CS..Hα-helixtrans-60.5-37.2175.2800000112.3L644 Q645 E646 L652L644-S648 PolarHBondContact O-N 2.91Å; Q645-S648 PolarHBondContact O-N 2.84Å; Q645-S648 PolarHBondContact O-OG 3.36Å; E646-S648 VanDerWaalsContact C-N 3.32Å; E646-S648 PolarHBondContact O-N 2.87Å; S648-L652 WeakPolarHBondContact O-CB 3.3Å; S648-L652 VanDerWaalsContact O-CD1 3.28Å; S648-L652 WeakPolarHBondContact O-CD1 3.48Å; S648-L652 WeakPolarHBondContact O-CG 3.31Å; S648-L652 PolarHBondContact O-N 2.8Å; S648-L652 VanDerWaalsContact O-N 3.11Å
649A80.7Confident71.9Confident46 Ų4671.4 Ų71.438%0.3840%0.397SS..Hα-helixtrans-69.5-40.6176.700000111.9Q645 E646 L647 L652 V653Q645-A649 PolarHBondContact O-N 3.3Å; E646-A649 CarbonylContact O-C 3.58Å; E646-A649 WeakPolarHBondContact O-CA 3.41Å; E646-A649 WeakPolarHBondContact O-CB 3.4Å; E646-A649 PolarHBondContact O-N 3.43Å; L647-A649 VanDerWaalsContact C-N 3.27Å; L647-A649 PolarHBondContact O-N 3.47Å; A649-L652 PolarHBondContact O-N 2.59Å; A649-V653 VanDerWaalsContact O-CB 3.25Å; A649-V653 WeakPolarHBondContact O-CB 3.42Å; A649-V653 WeakPolarHBondContact O-CG2 3.3Å; A649-V653 PolarHBondContact O-N 3.42Å
650Q78.1Confident69.6Low75 Ų7571.8 Ų71.835%0.3540%0.403SS..Hα-helixtrans-62.8-43.1176.5-68.1178.12000111.7E646 L647 L652 V653E646-Q650 WeakPolarHBondContact O-CG 3.34Å; E646-Q650 PolarHBondContact O-N 3.31Å; E646-Q650 PolarHBondContact OE1-NE2 2.95Å; L647-Q650 PolarHBondContact O-N 3.05Å; Q650-L652 VanDerWaalsContact C-N 3.34Å; Q650-L652 PolarHBondContact O-N 3.3Å; Q650-V653 PolarHBondContact O-N 3.08Å
651L73.1Confident67.1Low3 Ų372.2 Ų72.22%0.01641%0.408CS..Hα-helixtrans-61.8-39.4174.8-69.6172.6000112.4T503 Q583 C584 F587 L647T503-L651 HydrophobicContact CG2-CB 4.04Å; T503-L651 HydrophobicContact CG2-CD1 4.36Å; Q583-L651 HydrophobicContact CB-CD2 3.65Å; Q583-L651 HydrophobicContact CB-CG 4.31Å; C584-L651 VanDerWaalsContact SG-CD2 3.51Å; F587-L651 HydrophobicContact CB-CD1 3.91Å; F587-L651 HydrophobicContact CD1-CD1 4.42Å; F587-L651 HydrophobicContact CG-CD1 4.06Å; L647-L651 WeakPolarHBondContact O-CG 3.35Å; L647-L651 PolarHBondContact O-N 3.06Å
652L65.9Low64.4Low30 Ų3081 Ų8116%0.15745%0.446CS..Hα-helixtrans-77.3-32.3179.7-68.4165.8000113.9S648 A649 Q650 N654 T655 C673 R677S648-L652 WeakPolarHBondContact O-CB 3.3Å; S648-L652 VanDerWaalsContact O-CD1 3.28Å; S648-L652 WeakPolarHBondContact O-CD1 3.48Å; S648-L652 WeakPolarHBondContact O-CG 3.31Å; S648-L652 PolarHBondContact O-N 2.8Å; S648-L652 VanDerWaalsContact O-N 3.11Å; A649-L652 PolarHBondContact O-N 2.59Å; Q650-L652 VanDerWaalsContact C-N 3.34Å; Q650-L652 PolarHBondContact O-N 3.3Å; L652-N654 PolarHBondContact O-N 3.25Å; L652-T655 WeakPolarHBondContact O-CB 3.48Å; L652-T655 WeakPolarHBondContact O-CG2 3.44Å; L652-T655 PolarHBondContact O-N 2.77Å; L652-T655 PolarHBondContact O-OG1 3.06Å; L652-C673 HydrophobicContact CD2-CB 3.63Å; L652-R677 HydrophobicContact CD1-CG 3.69Å
653V56.1Low61.9Low111 Ų11184.4 Ų84.467%0.67347%0.466SS*.Hα-helixtrans-74.8-11.8-174.6164.10000113.1A649 Q650 T655A649-V653 VanDerWaalsContact O-CB 3.25Å; A649-V653 WeakPolarHBondContact O-CB 3.42Å; A649-V653 WeakPolarHBondContact O-CG2 3.3Å; A649-V653 PolarHBondContact O-N 3.42Å; Q650-V653 PolarHBondContact O-N 3.08Å; V653-T655 PolarHBondContact O-N 3.19Å
654N52.7Low59.4Low87 Ų8788.3 Ų88.347%0.46548%0.483SS..THydrogen-bonded Turntrans-74.10.6168.7-67.9-26.7000113.6V501 L652V501-N654 HydrophobicContact CB-CB 4.29Å; V501-N654 HydrophobicContact CG2-CB 4.3Å; L652-N654 PolarHBondContact O-N 3.25Å
655T44.8Very low57.1Low61 Ų6197 Ų9737%0.37452%0.523SS..SBendtrans-73.6143.4164.355.40000110.9D500 L652 V653D500-T655 HydrophobicContact CB-CG2 4.08Å; D500-T655 WeakPolarHBondContact OD1-CA 3.48Å; L652-T655 WeakPolarHBondContact O-CB 3.48Å; L652-T655 WeakPolarHBondContact O-CG2 3.44Å; L652-T655 PolarHBondContact O-N 2.77Å; L652-T655 PolarHBondContact O-OG1 3.06Å; V653-T655 PolarHBondContact O-N 3.19Å
656R40.5Very low54.7Low138 Ų13897.1 Ų97.152%0.52153%0.527SS..PPolyproline II helixtrans-57.1148.4-171.2-75.8-171177.691-3.7114.2G498 D500G498-R656 PolarHBondContact O-NH1 2.85Å; G498-R656 PolarHBondContact O-NH2 3.42Å; G498-R656 VanDerWaalsContact O-NH2 3.13Å; D500-R656 PolarHBondContact OD1-N 3.44Å
657P36.6Very low52.4Low103 Ų103100.8 Ų100.867%0.66954%0.544SS*.PPolyproline II helixtrans-60.8148.6173.326.4-35000111.7A659P657-A659 PolarHBondContact O-N 3.29Å
658P41Very low50.4Low118 Ų118104.4 Ų104.477%0.76657%0.571SS**THydrogen-bonded Turntrans-69.97.9-160.2-22.735.4000117.7L660P658-L660 PolarHBondContact O-N 3.12Å
659A39Very low48.4Very low91 Ų91107 Ų10775%0.75258%0.582SS**THydrogen-bonded Turntrans-81.3-7.8-168.200000115.3P657P657-A659 PolarHBondContact O-N 3.29Å
660L43.2Very low46.9Very low158 Ų158106.6 Ų106.683%0.82758%0.582SS**SBendtrans-137.912.5-170.5-77175.2000115.7P658 K662P658-L660 PolarHBondContact O-N 3.12Å; L660-K662 PolarHBondContact O-N 3.4Å
661Q39.1Very low45.7Very low144 Ų144107.1 Ų107.167%0.67359%0.594SS**  trans-75.3119.7172.5-77.6177.3-20.600110.8
662K35Very low44.8Very low186 Ų186109.6 Ų109.681%0.80961%0.605SS**  trans-78.2153.5161.6-69.9-177.3178179.40109L660 D664L660-K662 PolarHBondContact O-N 3.4Å; K662-D664 PolarHBondContact O-N 2.86Å
663P40.5Very low44.5Very low127 Ų127110 Ų11083%0.82561%0.611SS**SBendtrans-73-24.6-169.2-19.834.3000115.2
664D38.3Very low45Very low137 Ų137109.1 Ų109.173%0.73360%0.602SS**SBendtrans-106.1142.3-169.2-57.6-66.1000112.1K662K662-D664 PolarHBondContact O-N 2.86Å
665Q42.6Very low45.9Very low184 Ų184109.4 Ų109.486%0.8660%0.6SS**SBendtrans72.182.1-175.1-52.3178.9-0.700115.6
666N41.1Very low47.5Very low100 Ų100106.7 Ų106.754%0.53558%0.584SS.*  trans-177.178.8134-92.3-14.1000112Q669N666-Q669 HydrophobicContact CB-CG 4.4Å; N666-Q669 VanDerWaalsContact ND2-CD 3.29Å; N666-Q669 PolarHBondContact ND2-OE1 3.32Å
667Q40.7Very low49.5Very low196 Ų196107.6 Ų107.692%0.91659%0.587SS**SBendtrans-81.2-21.7173.9-83.4179.2-23.200113.9
668S43.7Very low51.7Low90 Ų90107.9 Ų107.963%0.62958%0.58SS**SBendtrans-75-39.7-179.448.90000113.7G670 S671S668-G670 PolarHBondContact O-N 3.1Å; S668-G670 VanDerWaalsContact O-N 3.11Å; S668-S671 PolarHBondContact O-N 3.16Å; S668-S671 VanDerWaalsContact O-N 3.14Å
669Q44.7Very low53.9Low63 Ų63105.3 Ų105.329%0.29456%0.557SS.*Hα-helixtrans-60.7-22.7-177.8-74.2-172.1-45.700114.1D500 N666 S671 C673D500-Q669 PolarHBondContact OD2-NE2 3.2Å; N666-Q669 HydrophobicContact CB-CG 4.4Å; N666-Q669 VanDerWaalsContact ND2-CD 3.29Å; N666-Q669 PolarHBondContact ND2-OE1 3.32Å; Q669-S671 VanDerWaalsContact C-N 3.28Å; Q669-S671 PolarHBondContact O-N 2.81Å; Q669-C673 PolarHBondContact O-SG 3.32Å
670G49Very low56.5Low37 Ų37101.5 Ų101.538%0.38152%0.524SS..Hα-helixtrans-63.1-33.3176.700000113.3S668 L674S668-G670 PolarHBondContact O-N 3.1Å; S668-G670 VanDerWaalsContact O-N 3.11Å; G670-L674 WeakPolarHBondContact O-CD1 3.32Å; G670-L674 VanDerWaalsContact O-CG 3.26Å; G670-L674 WeakPolarHBondContact O-CG 3.34Å; G670-L674 PolarHBondContact O-N 2.95Å; G670-L674 VanDerWaalsContact O-N 3.11Å
671S52.2Low58.7Low86 Ų8699.3 Ų99.360%0.60151%0.509SS*.Hα-helixtrans-68.5-49.2-169.9-158.50000113.1S668 Q669 C673 L674 E675S668-S671 PolarHBondContact O-N 3.16Å; S668-S671 VanDerWaalsContact O-N 3.14Å; Q669-S671 VanDerWaalsContact C-N 3.28Å; Q669-S671 PolarHBondContact O-N 2.81Å; S671-C673 VanDerWaalsContact C-N 3.3Å; S671-C673 PolarHBondContact O-N 3.23Å; S671-L674 WeakPolarHBondContact O-CB 3.43Å; S671-L674 PolarHBondContact O-N 2.6Å; S671-L674 VanDerWaalsContact O-N 3.14Å; S671-E675 PolarHBondContact O-N 2.8Å; S671-E675 VanDerWaalsContact O-N 3.13Å
672E54.2Low61.3Low54 Ų5496.2 Ų96.225%0.25250%0.5SS..Hα-helixtrans-69.6-29.8-177.6-54.4-171.8134.100112S502 T503 N504S502-E672 WeakPolarHBondContact CB-OE2 3.4Å; S502-E672 VanDerWaalsContact OG-CD 3.26Å; S502-E672 PolarHBondContact OG-OE1 2.86Å; S502-E672 PolarHBondContact OG-OE2 3.27Å; T503-E672 WeakPolarHBondContact OG1-CB 3.26Å; T503-E672 PolarHBondContact OG1-O 3.41Å; N504-E672 WeakPolarHBondContact CB-OE1 3.42Å; N504-E672 PolarHBondContact ND2-OE1 2.75Å
673C60.6Low64.1Low40 Ų4087.5 Ų87.527%0.2746%0.462SS..Hα-helixtrans-72.7-28.2173.4-66.10000112.7L652 Q669 S671 R677L652-C673 HydrophobicContact CD2-CB 3.63Å; Q669-C673 PolarHBondContact O-SG 3.32Å; S671-C673 VanDerWaalsContact C-N 3.3Å; S671-C673 PolarHBondContact O-N 3.23Å; C673-R677 WeakPolarHBondContact O-CD 3.39Å; C673-R677 VanDerWaalsContact O-CG 3.26Å; C673-R677 WeakPolarHBondContact O-CG 3.41Å
674L65.2Low66.8Low92 Ų9283 Ų8348%0.48243%0.429SS..Hα-helixtrans-73.1-47.8174.4-76.1164.2000110.9G670 S671 A676 R677 E678G670-L674 WeakPolarHBondContact O-CD1 3.32Å; G670-L674 VanDerWaalsContact O-CG 3.26Å; G670-L674 WeakPolarHBondContact O-CG 3.34Å; G670-L674 PolarHBondContact O-N 2.95Å; G670-L674 VanDerWaalsContact O-N 3.11Å; S671-L674 WeakPolarHBondContact O-CB 3.43Å; S671-L674 PolarHBondContact O-N 2.6Å; S671-L674 VanDerWaalsContact O-N 3.14Å; L674-A676 PolarHBondContact O-N 3.3Å; L674-R677 CarbonylContact O-C 3.58Å; L674-R677 WeakPolarHBondContact O-CA 3.33Å; L674-R677 WeakPolarHBondContact O-CB 3.26Å; L674-R677 PolarHBondContact O-N 3.11Å; L674-E678 WeakPolarHBondContact O-CB 3.49Å; L674-E678 WeakPolarHBondContact O-CG 3.33Å; L674-E678 PolarHBondContact O-N 3.01Å
675E73.1Confident69.4Low93 Ų9379.4 Ų79.444%0.43541%0.409SS..Hα-helixtrans-54.5-47.3-175.8-166.9-160143.100113.1S671 R677 E678 K679S671-E675 PolarHBondContact O-N 2.8Å; S671-E675 VanDerWaalsContact O-N 3.13Å; E675-R677 VanDerWaalsContact C-N 3.33Å; E675-R677 PolarHBondContact O-N 2.74Å; E675-E678 PolarHBondContact O-N 3.25Å; E675-K679 HydrophobicContact CG-CD 4.46Å; E675-K679 WeakPolarHBondContact O-CG 3.5Å; E675-K679 PolarHBondContact O-N 3.48Å; E675-K679 VanDerWaalsContact OE1-CE 3.27Å; E675-K679 WeakPolarHBondContact OE1-CE 3.38Å; E675-K679 IonicContact OE1-NZ 3.58Å; E675-K679 PolarHBondContact OE1-NZ 3.23Å
676A78.4Confident71.9Confident4 Ų473.6 Ų73.63%0.03338%0.38CS..Hα-helixtrans-62.7-39.3178.200000112.2T503 F587 L674 V680T503-A676 HydrophobicContact CG2-CB 4.14Å; F587-A676 HydrophobicContact CE1-CB 3.94Å; F587-A676 HydrophobicContact CZ-CB 3.81Å; L674-A676 PolarHBondContact O-N 3.3Å; A676-V680 WeakPolarHBondContact O-CG2 3.49Å; A676-V680 PolarHBondContact O-N 2.9Å
677R80.8Confident74.5Confident156 Ų15669 Ų6959%0.58936%0.355SS*.Hα-helixtrans-70.2-37.4177.1-67.9170.958.9150.1-4111.9L652 C673 L674 E675 H681L652-R677 HydrophobicContact CD1-CG 3.69Å; C673-R677 WeakPolarHBondContact O-CD 3.39Å; C673-R677 VanDerWaalsContact O-CG 3.26Å; C673-R677 WeakPolarHBondContact O-CG 3.41Å; L674-R677 CarbonylContact O-C 3.58Å; L674-R677 WeakPolarHBondContact O-CA 3.33Å; L674-R677 WeakPolarHBondContact O-CB 3.26Å; L674-R677 PolarHBondContact O-N 3.11Å; E675-R677 VanDerWaalsContact C-N 3.33Å; E675-R677 PolarHBondContact O-N 2.74Å; R677-H681 VanDerWaalsContact O-CB 3.23Å; R677-H681 WeakPolarHBondContact O-CB 3.47Å; R677-H681 PolarHBondContact O-N 3.46Å
678E83.5Confident77Confident109 Ų10965 Ų6551%0.50933%0.332SS..Hα-helixtrans-67.2-44.6177.6-75.1175.5-169.600111.3L674 E675 V680 H681 V682L674-E678 WeakPolarHBondContact O-CB 3.49Å; L674-E678 WeakPolarHBondContact O-CG 3.33Å; L674-E678 PolarHBondContact O-N 3.01Å; E675-E678 PolarHBondContact O-N 3.25Å; E678-V680 PolarHBondContact O-N 3.22Å; E678-H681 PolarHBondContact O-N 2.81Å; E678-H681 VanDerWaalsContact O-N 3.14Å; E678-V682 WeakPolarHBondContact O-CB 3.44Å; E678-V682 WeakPolarHBondContact O-CG2 3.49Å; E678-V682 PolarHBondContact O-N 3.07Å
679K88Confident79.5Confident65 Ų6564 Ų6428%0.28332%0.319SS..Hα-helixtrans-57.6-47.9174-76.3174.8172.6174.20112.2E675 H681 V682 I683E675-K679 HydrophobicContact CG-CD 4.46Å; E675-K679 WeakPolarHBondContact O-CG 3.5Å; E675-K679 PolarHBondContact O-N 3.48Å; E675-K679 VanDerWaalsContact OE1-CE 3.27Å; E675-K679 WeakPolarHBondContact OE1-CE 3.38Å; E675-K679 IonicContact OE1-NZ 3.58Å; E675-K679 PolarHBondContact OE1-NZ 3.23Å; K679-H681 VanDerWaalsContact C-N 3.34Å; K679-H681 PolarHBondContact O-N 2.6Å; K679-V682 PolarHBondContact O-N 3.08Å; K679-I683 WeakPolarHBondContact O-CG1 3.44Å; K679-I683 PolarHBondContact O-N 2.75Å
680V91.8Very high81.8Confident10 Ų1061 Ų616%0.06130%0.304CS..Hα-helixtrans-59.6-43174.1171.60000111.7F587 L644 Q645 A676 E678 W684F587-V680 HydrophobicContact CE2-CG2 3.73Å; F587-V680 HydrophobicContact CZ-CG2 4.2Å; L644-V680 HydrophobicContact CD2-CG2 4.08Å; L644-V680 HydrophobicContact CG-CG2 4.02Å; Q645-V680 HydrophobicContact CB-CG1 3.89Å; Q645-V680 HydrophobicContact CG-CG1 4.12Å; A676-V680 WeakPolarHBondContact O-CG2 3.49Å; A676-V680 PolarHBondContact O-N 2.9Å; E678-V680 PolarHBondContact O-N 3.22Å; V680-W684 WeakPolarHBondContact O-CB 3.25Å; V680-W684 PolarHBondContact O-N 3.08Å
681H90.3Very high84Confident112 Ų11261.3 Ų61.352%0.51930%0.296SS..Hα-helixtrans-66.9-40.7179.9-178.2-124000112.7R677 E678 K679 N685R677-H681 VanDerWaalsContact O-CB 3.23Å; R677-H681 WeakPolarHBondContact O-CB 3.47Å; R677-H681 PolarHBondContact O-N 3.46Å; E678-H681 PolarHBondContact O-N 2.81Å; E678-H681 VanDerWaalsContact O-N 3.14Å; K679-H681 VanDerWaalsContact C-N 3.34Å; K679-H681 PolarHBondContact O-N 2.6Å; H681-N685 PolarHBondContact CD2-ND2 3.16Å; H681-N685 VanDerWaalsContact CD2-ND2 3.32Å; H681-N685 PolarHBondContact CE1-ND2 3.39Å; H681-N685 PolarHBondContact NE2-ND2 3.46Å; H681-N685 WeakPolarHBondContact O-CB 3.41Å; H681-N685 VanDerWaalsContact O-CG 3.24Å; H681-N685 PolarHBondContact O-N 3.4Å; H681-N685 PolarHBondContact O-ND2 3.44Å
682V94Very high86Confident80 Ų8065 Ų6549%0.48530%0.297SS..Hα-helixtrans-62.6-49175.2167.90000110.7L595 E678 K679 W684 N685 R686L595-V682 HydrophobicContact CD2-CG1 4.34Å; E678-V682 WeakPolarHBondContact O-CB 3.44Å; E678-V682 WeakPolarHBondContact O-CG2 3.49Å; E678-V682 PolarHBondContact O-N 3.07Å; K679-V682 PolarHBondContact O-N 3.08Å; V682-W684 PolarHBondContact O-N 2.98Å; V682-N685 PolarHBondContact O-N 3.05Å; V682-R686 WeakPolarHBondContact O-CB 3.27Å; V682-R686 PolarHBondContact O-N 3.27Å
683I94.4Very high88Confident3 Ų365.1 Ų65.12%0.01530%0.298CS..Hα-helixtrans-57.5-50177.1-71.4165.9000110.5S591 L594 L595 L598 A641 L644 K679 N685 R686 L687S591-I683 WeakPolarHBondContact OG-CD1 3.36Å; L594-I683 HydrophobicContact CB-CD1 4.28Å; L594-I683 HydrophobicContact CB-CG2 4.25Å; L594-I683 HydrophobicContact CD1-CG2 4.2Å; L595-I683 HydrophobicContact CD1-CD1 4.49Å; L595-I683 HydrophobicContact CD2-CD1 4.39Å; L595-I683 HydrophobicContact CD2-CG1 3.66Å; L595-I683 HydrophobicContact CG-CD1 4.03Å; L595-I683 HydrophobicContact CG-CG1 3.83Å; L598-I683 HydrophobicContact CD1-CB 4.49Å; L598-I683 HydrophobicContact CD1-CG2 4.13Å; A641-I683 HydrophobicContact CB-CG2 4.4Å; L644-I683 HydrophobicContact CD2-CD1 3.45Å; L644-I683 VanDerWaalsContact CD2-CD1 3.45Å; K679-I683 WeakPolarHBondContact O-CG1 3.44Å; K679-I683 PolarHBondContact O-N 2.75Å; I683-N685 VanDerWaalsContact C-N 3.32Å; I683-N685 PolarHBondContact O-N 3Å; I683-R686 PolarHBondContact O-N 2.89Å; I683-L687 WeakPolarHBondContact O-CB 3.44Å; I683-L687 PolarHBondContact O-N 3.36Å
684W95.6Very high89.6Confident31 Ų3163.2 Ų63.212%0.11729%0.285CS..Hα-helixtrans-61.7-36.5177.6-93.6110.2000113.6Q638 A641 V680 V682 L687 R688Q638-W684 HydrophobicContact CB-CH2 4.38Å; A641-W684 HydrophobicContact CB-CD2 4.2Å; A641-W684 HydrophobicContact CB-CH2 4.36Å; A641-W684 HydrophobicContact CB-CZ2 3.85Å; A641-W684 PolarHBondContact O-NE1 3.37Å; A641-W684 VanDerWaalsContact O-NE1 3.08Å; V680-W684 WeakPolarHBondContact O-CB 3.25Å; V680-W684 PolarHBondContact O-N 3.08Å; V682-W684 PolarHBondContact O-N 2.98Å; W684-L687 HydrophobicContact CE3-CD2 4.27Å; W684-L687 HydrophobicContact CZ3-CD2 4.24Å; W684-R688 WeakPolarHBondContact O-CB 3.35Å; W684-R688 WeakPolarHBondContact O-CD 3.25Å; W684-R688 WeakPolarHBondContact O-CG 3.41Å; W684-R688 PolarHBondContact O-N 2.92Å; W684-R688 VanDerWaalsContact O-N 3.09Å
685N93.9Very high91Very high62 Ų6260.3 Ų60.333%0.33227%0.272SS..Hα-helixtrans-75.5-43.3179.9-74.4-27.7000112.6H681 V682 I683 L687 R688 L689H681-N685 PolarHBondContact CD2-ND2 3.16Å; H681-N685 VanDerWaalsContact CD2-ND2 3.32Å; H681-N685 PolarHBondContact CE1-ND2 3.39Å; H681-N685 PolarHBondContact NE2-ND2 3.46Å; H681-N685 WeakPolarHBondContact O-CB 3.41Å; H681-N685 VanDerWaalsContact O-CG 3.24Å; H681-N685 PolarHBondContact O-N 3.4Å; H681-N685 PolarHBondContact O-ND2 3.44Å; V682-N685 PolarHBondContact O-N 3.05Å; I683-N685 VanDerWaalsContact C-N 3.32Å; I683-N685 PolarHBondContact O-N 3Å; N685-L687 VanDerWaalsContact C-N 3.34Å; N685-R688 PolarHBondContact O-N 2.97Å; N685-L689 WeakPolarHBondContact O-CB 3.41Å; N685-L689 PolarHBondContact O-N 3.44Å
686R94.9Very high92Very high62 Ų6259.4 Ų59.423%0.23428%0.276CS..Hα-helixtrans-62.8-40.8174.5-177.864.3154.7148.9-3.7110.8L598 E599 D602 V682 I683 L689 L690L598-R686 HydrophobicContact CB-CG 4.27Å; L598-R686 HydrophobicContact CD1-CB 4.25Å; L598-R686 HydrophobicContact CD1-CG 4.2Å; L598-R686 HydrophobicContact CD2-CG 4.45Å; E599-R686 IonicContact OE1-NH2 3.4Å; E599-R686 IonicContact OE2-CZ 2.83Å; E599-R686 IonicContact OE2-NH2 3.88Å; E599-R686 PolarHBondContact OE2-NH2 2.87Å; D602-R686 VanDerWaalsContact CG-NH1 3.34Å; D602-R686 IonicContact OD1-NH1 3.25Å; D602-R686 IonicContact OD2-CZ 2.76Å; D602-R686 VanDerWaalsContact OD2-CZ 3.23Å; D602-R686 IonicContact OD2-NH1 3.99Å; D602-R686 PolarHBondContact OD2-NH1 3.28Å; D602-R686 IonicContact OD2-NH2 3.93Å; D602-R686 PolarHBondContact OD2-NH2 2.89Å; V682-R686 WeakPolarHBondContact O-CB 3.27Å; V682-R686 PolarHBondContact O-N 3.27Å; I683-R686 PolarHBondContact O-N 2.89Å; R686-L689 WeakPolarHBondContact O-CB 3.41Å; R686-L689 PolarHBondContact O-N 3.07Å; R686-L690 HydrophobicContact CG-CD1 4.07Å; R686-L690 WeakPolarHBondContact O-CG 3.15Å; R686-L690 PolarHBondContact O-N 3.01Å
687L94.8Very high92.7Very high3 Ų360.2 Ų60.22%0.01628%0.28CS..Hα-helixtrans-59.6-48.6174.1-175.965.6000112.2W597 L598 L634 S637 Q638 A641 I683 W684 N685 L689 Q691W597-L687 HydrophobicContact CZ3-CD1 4.33Å; L598-L687 HydrophobicContact CD2-CB 4.11Å; L598-L687 HydrophobicContact CD2-CD1 3.91Å; L634-L687 HydrophobicContact CD2-CD1 3.59Å; S637-L687 WeakPolarHBondContact OG-CD1 3.29Å; Q638-L687 HydrophobicContact CG-CD2 3.95Å; A641-L687 HydrophobicContact CB-CD2 4.1Å; I683-L687 WeakPolarHBondContact O-CB 3.44Å; I683-L687 PolarHBondContact O-N 3.36Å; W684-L687 HydrophobicContact CE3-CD2 4.27Å; W684-L687 HydrophobicContact CZ3-CD2 4.24Å; N685-L687 VanDerWaalsContact C-N 3.34Å; L687-L689 VanDerWaalsContact C-N 3.28Å; L687-L689 PolarHBondContact O-N 3.04Å; L687-Q691 VanDerWaalsContact O-CB 3.29Å; L687-Q691 WeakPolarHBondContact O-CB 3.34Å; L687-Q691 PolarHBondContact O-N 3.07Å
688R94.4Very high93.3Very high114 Ų11452.9 Ų52.943%0.4325%0.252SS..Hα-helixtrans-68.4-23.4175.9-69.8169.6-165.1159.26113.4W684 N685 R692W684-R688 WeakPolarHBondContact O-CB 3.35Å; W684-R688 WeakPolarHBondContact O-CD 3.25Å; W684-R688 WeakPolarHBondContact O-CG 3.41Å; W684-R688 PolarHBondContact O-N 2.92Å; W684-R688 VanDerWaalsContact O-N 3.09Å; N685-R688 PolarHBondContact O-N 2.97Å; R688-R692 PolarHBondContact O-NE 3.2Å; R688-R692 PolarHBondContact O-NH2 2.77Å
689L94.9Very high93.7Very high67 Ų6752.7 Ų52.735%0.35125%0.251SS..Hα-helixtrans-72.3-60.3173.9-167.587.7000109.4N685 R686 L687 Q691 R692 E693N685-L689 WeakPolarHBondContact O-CB 3.41Å; N685-L689 PolarHBondContact O-N 3.44Å; R686-L689 WeakPolarHBondContact O-CB 3.41Å; R686-L689 PolarHBondContact O-N 3.07Å; L687-L689 VanDerWaalsContact C-N 3.28Å; L687-L689 PolarHBondContact O-N 3.04Å; L689-Q691 VanDerWaalsContact C-N 3.26Å; L689-Q691 PolarHBondContact O-N 3.46Å; L689-R692 WeakPolarHBondContact O-CA 3.44Å; L689-R692 WeakPolarHBondContact O-CB 3.48Å; L689-R692 PolarHBondContact O-N 2.86Å; L689-E693 WeakPolarHBondContact CD2-OE2 3.43Å; L689-E693 HydrophobicContact CG-CG 4.44Å; L689-E693 WeakPolarHBondContact CG-OE2 3.38Å; L689-E693 WeakPolarHBondContact O-CG 3.38Å; L689-E693 PolarHBondContact O-N 3.27Å
690L94.8Very high93.8Very high0 Ų054.5 Ų54.50%026%0.263CS..Hα-helixtrans-55.5-39.9-179.4-69.9170.4000112.2L598 I601 D602 L634 R686 R692 E693 V694L598-L690 HydrophobicContact CB-CD1 4.47Å; L598-L690 HydrophobicContact CD2-CD1 3.87Å; I601-L690 HydrophobicContact CG2-CD1 4.24Å; D602-L690 HydrophobicContact CB-CD2 3.76Å; D602-L690 VanDerWaalsContact OD1-CD2 3.32Å; D602-L690 WeakPolarHBondContact OD1-CD2 3.21Å; L634-L690 HydrophobicContact CD1-CB 4.2Å; L634-L690 HydrophobicContact CD2-CB 4.07Å; R686-L690 HydrophobicContact CG-CD1 4.07Å; R686-L690 WeakPolarHBondContact O-CG 3.15Å; R686-L690 PolarHBondContact O-N 3.01Å; L690-R692 VanDerWaalsContact C-N 3.29Å; L690-R692 PolarHBondContact O-N 3.19Å; L690-E693 PolarHBondContact O-N 2.79Å; L690-V694 WeakPolarHBondContact O-CB 3.5Å; L690-V694 VanDerWaalsContact O-CG2 3.27Å; L690-V694 WeakPolarHBondContact O-CG2 3.33Å; L690-V694 PolarHBondContact O-N 3.18Å
691Q94.8Very high93.8Very high45 Ų4554 Ų5421%0.2126%0.261CS..Hα-helixtrans-63.6-31.2177.2-172.3173.25000113.6Q638 L687 L689 S695Q638-Q691 VanDerWaalsContact NE2-NE2 3.12Å; Q638-Q691 VanDerWaalsContact NE2-OE1 3.07Å; L687-Q691 VanDerWaalsContact O-CB 3.29Å; L687-Q691 WeakPolarHBondContact O-CB 3.34Å; L687-Q691 PolarHBondContact O-N 3.07Å; L689-Q691 VanDerWaalsContact C-N 3.26Å; L689-Q691 PolarHBondContact O-N 3.46Å; Q691-S695 WeakPolarHBondContact O-CB 3.32Å; Q691-S695 PolarHBondContact O-N 3.21Å; Q691-S695 PolarHBondContact O-OG 3.34Å
692R94.5Very high93.8Very high163 Ų16352.3 Ų52.362%0.61525%0.253SS*.Hα-helixtrans-78.1-44.2173.2-76.9176.6-72.9160.70.9111.2R688 L689 L690 S695 S696R688-R692 PolarHBondContact O-NE 3.2Å; R688-R692 PolarHBondContact O-NH2 2.77Å; L689-R692 WeakPolarHBondContact O-CA 3.44Å; L689-R692 WeakPolarHBondContact O-CB 3.48Å; L689-R692 PolarHBondContact O-N 2.86Å; L690-R692 VanDerWaalsContact C-N 3.29Å; L690-R692 PolarHBondContact O-N 3.19Å; R692-S695 PolarHBondContact O-N 3.23Å; R692-S696 PolarHBondContact O-N 3.16Å
693E94.4Very high93.5Very high57 Ų5753.9 Ų53.927%0.26625%0.253SS..Hα-helixtrans-61.5-54.8-180-68.7170144.400111.2L689 L690 S695 S696 D697L689-E693 WeakPolarHBondContact CD2-OE2 3.43Å; L689-E693 HydrophobicContact CG-CG 4.44Å; L689-E693 WeakPolarHBondContact CG-OE2 3.38Å; L689-E693 WeakPolarHBondContact O-CG 3.38Å; L689-E693 PolarHBondContact O-N 3.27Å; L690-E693 PolarHBondContact O-N 2.79Å; E693-S695 PolarHBondContact O-N 2.97Å; E693-S696 CarbonylContact O-C 3.6Å; E693-S696 WeakPolarHBondContact O-CA 3.4Å; E693-S696 WeakPolarHBondContact O-CB 3.46Å; E693-S696 PolarHBondContact O-N 2.9Å; E693-D697 VanDerWaalsContact O-CG 3.25Å; E693-D697 PolarHBondContact O-N 3.33Å
694V95.4Very high93.1Very high0 Ų056.5 Ų56.50%026%0.263CS..Hα-helixtrans-57.5-34.5175.9173.40000112R605 L627 I630 K631 L634 L690 L698R605-V694 HydrophobicContact CG-CG2 4.31Å; L627-V694 HydrophobicContact CB-CG1 4.39Å; L627-V694 HydrophobicContact CD2-CG1 4.3Å; L627-V694 WeakPolarHBondContact O-CG1 3.37Å; I630-V694 HydrophobicContact CG2-CG1 4.16Å; I630-V694 HydrophobicContact CG2-CG2 3.82Å; K631-V694 HydrophobicContact CB-CG1 4.03Å; L634-V694 HydrophobicContact CD1-CB 4.35Å; L634-V694 HydrophobicContact CD1-CG2 3.99Å; L690-V694 WeakPolarHBondContact O-CB 3.5Å; L690-V694 VanDerWaalsContact O-CG2 3.27Å; L690-V694 WeakPolarHBondContact O-CG2 3.33Å; L690-V694 PolarHBondContact O-N 3.18Å; V694-L698 HydrophobicContact CG1-CD1 4.12Å; V694-L698 WeakPolarHBondContact O-CB 3.44Å; V694-L698 WeakPolarHBondContact O-CD1 3.27Å; V694-L698 VanDerWaalsContact O-CG 3.29Å; V694-L698 WeakPolarHBondContact O-CG 3.38Å; V694-L698 PolarHBondContact O-N 2.84Å
695S94.3Very high92.7Very high30 Ų3056.1 Ų56.121%0.2126%0.263CS..Hα-helixtrans-69.9-38.3175-65.10000112.5K631 Q691 R692 E693 E699K631-S695 PolarHBondContact NZ-OG 3.19Å; Q691-S695 WeakPolarHBondContact O-CB 3.32Å; Q691-S695 PolarHBondContact O-N 3.21Å; Q691-S695 PolarHBondContact O-OG 3.34Å; R692-S695 PolarHBondContact O-N 3.23Å; E693-S695 PolarHBondContact O-N 2.97Å; S695-E699 WeakPolarHBondContact O-CB 3.3Å; S695-E699 PolarHBondContact O-N 2.88Å
696S93.8Very high92.3Very high74 Ų7459.2 Ų59.252%0.51728%0.276SS..Hα-helixtrans-68.7-38.1174.1-172.80000112.2R692 E693 E699 L700R692-S696 PolarHBondContact O-N 3.16Å; E693-S696 CarbonylContact O-C 3.6Å; E693-S696 WeakPolarHBondContact O-CA 3.4Å; E693-S696 WeakPolarHBondContact O-CB 3.46Å; E693-S696 PolarHBondContact O-N 2.9Å; S696-E699 PolarHBondContact O-N 3.44Å; S696-L700 WeakPolarHBondContact O-CB 3.4Å; S696-L700 PolarHBondContact O-N 2.9Å
697D93.4Very high91.8Very high22 Ų2258.7 Ų58.712%0.11829%0.285CS..Hα-helixtrans-67.3-40.2177.5-64.2-38.3000111.1R605 V609 L627 E693 L700 L701R605-D697 IonicContact CZ-OD2 2.83Å; R605-D697 VanDerWaalsContact CZ-OD2 3.25Å; R605-D697 IonicContact NE-OD2 3.28Å; R605-D697 PolarHBondContact NE-OD2 2.96Å; R605-D697 IonicContact NH2-OD1 2.67Å; R605-D697 IonicContact NH2-OD2 3.72Å; R605-D697 PolarHBondContact NH2-OD2 3.15Å; V609-D697 HydrophobicContact CG2-CB 4.02Å; L627-D697 HydrophobicContact CD1-CB 3.92Å; E693-D697 VanDerWaalsContact O-CG 3.25Å; E693-D697 PolarHBondContact O-N 3.33Å; D697-L700 PolarHBondContact O-N 3.37Å; D697-L701 VanDerWaalsContact O-CB 3.25Å; D697-L701 WeakPolarHBondContact O-CB 3.32Å; D697-L701 PolarHBondContact O-N 3.02Å
698L93.5Very high91Very high1 Ų160.5 Ų60.51%0.00530%0.296CS..Hα-helixtrans-61-51171.3-80.6165.1000111.8L627 M628 K631 V694 L700 L701 E702L627-L698 HydrophobicContact CB-CD1 4.33Å; L627-L698 HydrophobicContact CB-CD2 3.55Å; L627-L698 HydrophobicContact CB-CG 3.73Å; L627-L698 HydrophobicContact CD1-CD2 4.48Å; L627-L698 HydrophobicContact CD1-CG 4.47Å; M628-L698 HydrophobicContact CG-CD1 4.36Å; M628-L698 HydrophobicContact CG-CD2 3.71Å; M628-L698 HydrophobicContact SD-CD1 3.74Å; M628-L698 HydrophobicContact SD-CD2 3.99Å; K631-L698 HydrophobicContact CB-CD1 4.16Å; K631-L698 HydrophobicContact CD-CD1 3.42Å; K631-L698 VanDerWaalsContact CD-CD1 3.42Å; K631-L698 HydrophobicContact CG-CD1 4.45Å; V694-L698 HydrophobicContact CG1-CD1 4.12Å; V694-L698 WeakPolarHBondContact O-CB 3.44Å; V694-L698 WeakPolarHBondContact O-CD1 3.27Å; V694-L698 VanDerWaalsContact O-CG 3.29Å; V694-L698 WeakPolarHBondContact O-CG 3.38Å; V694-L698 PolarHBondContact O-N 2.84Å; L698-L700 PolarHBondContact O-N 3.1Å; L698-L701 PolarHBondContact O-N 2.89Å; L698-L701 VanDerWaalsContact O-N 3.07Å; L698-E702 WeakPolarHBondContact O-CB 3.28Å; L698-E702 VanDerWaalsContact O-CG 3.25Å; L698-E702 WeakPolarHBondContact O-CG 3.44Å; L698-E702 PolarHBondContact O-N 2.96Å
699E92.4Very high90.1Very high105 Ų10559 Ų5949%0.49129%0.293SS..Hα-helixtrans-57.4-36177.2-92.4-163.3-130.100113.1S695 S696 K703S695-E699 WeakPolarHBondContact O-CB 3.3Å; S695-E699 PolarHBondContact O-N 2.88Å; S696-E699 PolarHBondContact O-N 3.44Å; E699-K703 WeakPolarHBondContact O-CD 3.22Å; E699-K703 WeakPolarHBondContact O-CE 3.32Å; E699-K703 WeakPolarHBondContact O-CG 3.41Å; E699-K703 PolarHBondContact O-N 2.81Å; E699-K703 PolarHBondContact O-NZ 3.04Å; E699-K703 IonicContact OE2-NZ 2.71Å; E699-K703 PolarHBondContact OE2-NZ 3.46Å
700L90.4Very high89.1Confident103 Ų10357.9 Ų57.954%0.53929%0.294SS..Hα-helixtrans-72.1-38.7176.2179.162.1000111.6S696 D697 L698 R704S696-L700 WeakPolarHBondContact O-CB 3.4Å; S696-L700 PolarHBondContact O-N 2.9Å; D697-L700 PolarHBondContact O-N 3.37Å; L698-L700 PolarHBondContact O-N 3.1Å; L700-R704 WeakPolarHBondContact O-CG 3.28Å; L700-R704 PolarHBondContact O-N 2.87Å
701L90.4Very high87.6Confident1 Ų164.6 Ų64.61%0.00533%0.325CS..Hα-helixtrans-75.5-36-178.7-176.652.7000112.7V611 L620 H623 H624 L627 D697 L698 R704 L705V611-L701 HydrophobicContact CG1-CD1 4.1Å; V611-L701 HydrophobicContact CG2-CD1 4.31Å; L620-L701 HydrophobicContact CB-CD1 4.08Å; L620-L701 HydrophobicContact CD2-CD1 3.59Å; L620-L701 HydrophobicContact CG-CD1 4.44Å; H623-L701 HydrophobicContact CB-CD2 3.7Å; H624-L701 HydrophobicContact CB-CD2 3.81Å; H624-L701 HydrophobicContact CB-CG 4.16Å; H624-L701 VanDerWaalsContact N-CD2 3.29Å; L627-L701 HydrophobicContact CD1-CD2 4.04Å; D697-L701 VanDerWaalsContact O-CB 3.25Å; D697-L701 WeakPolarHBondContact O-CB 3.32Å; D697-L701 PolarHBondContact O-N 3.02Å; L698-L701 PolarHBondContact O-N 2.89Å; L698-L701 VanDerWaalsContact O-N 3.07Å; L701-R704 PolarHBondContact O-N 3.06Å; L701-L705 HydrophobicContact CD1-CD1 4.38Å; L701-L705 HydrophobicContact CG-CD1 4.49Å; L701-L705 PolarHBondContact O-N 3.1Å
702E90.2Very high85.9Confident76 Ų7667.3 Ų67.336%0.35534%0.338SS..Hα-helixtrans-58.2-52.3171.3-74.4162.9-174.700110.5H624 L698 R704 L705 E706H624-E702 IonicContact CE1-OE1 2.61Å; H624-E702 PolarHBondContact CE1-OE1 3.35Å; H624-E702 IonicContact ND1-OE1 2.69Å; L698-E702 WeakPolarHBondContact O-CB 3.28Å; L698-E702 VanDerWaalsContact O-CG 3.25Å; L698-E702 WeakPolarHBondContact O-CG 3.44Å; L698-E702 PolarHBondContact O-N 2.96Å; E702-R704 PolarHBondContact O-N 3.12Å; E702-R704 VanDerWaalsContact O-N 3.14Å; E702-L705 WeakPolarHBondContact O-CB 3.36Å; E702-L705 PolarHBondContact O-N 3.1Å; E702-E706 WeakPolarHBondContact O-CG 3.48Å; E702-E706 PolarHBondContact O-N 2.83Å
703K89.1Confident84.1Confident112 Ų11265.6 Ų65.649%0.48734%0.341SS..Hα-helixtrans-58.1-28.8175.7-67.5160.7-160.9150.80112.7E699 A707E699-K703 WeakPolarHBondContact O-CD 3.22Å; E699-K703 WeakPolarHBondContact O-CE 3.32Å; E699-K703 WeakPolarHBondContact O-CG 3.41Å; E699-K703 PolarHBondContact O-N 2.81Å; E699-K703 PolarHBondContact O-NZ 3.04Å; E699-K703 IonicContact OE2-NZ 2.71Å; E699-K703 PolarHBondContact OE2-NZ 3.46Å; K703-A707 WeakPolarHBondContact O-CB 3.44Å; K703-A707 PolarHBondContact O-N 3.17Å
704R86Confident82.1Confident58 Ų5872.6 Ų72.622%0.21937%0.367CS..Hα-helixtrans-79.9-34.2173.6-76.6-170.964.2-174.3-5.6113.5V611 S612 Q613 L700 L701 E702 T708V611-R704 PolarHBondContact O-NH1 2.82Å; S612-R704 PolarHBondContact O-NH1 3.35Å; S612-R704 PolarHBondContact O-NH2 3.45Å; Q613-R704 PolarHBondContact O-NH2 2.95Å; Q613-R704 VanDerWaalsContact O-NH2 3.12Å; L700-R704 WeakPolarHBondContact O-CG 3.28Å; L700-R704 PolarHBondContact O-N 2.87Å; L701-R704 PolarHBondContact O-N 3.06Å; E702-R704 PolarHBondContact O-N 3.12Å; E702-R704 VanDerWaalsContact O-N 3.14Å; R704-T708 WeakPolarHBondContact O-CB 3.42Å; R704-T708 PolarHBondContact O-N 2.81Å; R704-T708 VanDerWaalsContact O-N 3.1Å; R704-T708 PolarHBondContact O-OG1 3.32Å
705L86.6Confident80Confident24 Ų2480 Ų8013%0.12641%0.405CS..Hα-helixtrans-60.7-52.5170.1-111.891.6000109.8Y617 L620 L701 E702 A707 T708 E709Y617-L705 HydrophobicContact CD2-CG 4.44Å; Y617-L705 HydrophobicContact CE2-CD2 3.88Å; Y617-L705 HydrophobicContact CE2-CG 3.94Å; L620-L705 HydrophobicContact CB-CD1 3.74Å; L701-L705 HydrophobicContact CD1-CD1 4.38Å; L701-L705 HydrophobicContact CG-CD1 4.49Å; L701-L705 PolarHBondContact O-N 3.1Å; E702-L705 WeakPolarHBondContact O-CB 3.36Å; E702-L705 PolarHBondContact O-N 3.1Å; L705-A707 VanDerWaalsContact C-N 3.31Å; L705-A707 PolarHBondContact O-N 3.07Å; L705-T708 WeakPolarHBondContact O-CB 3.25Å; L705-T708 PolarHBondContact O-N 3.25Å; L705-E709 WeakPolarHBondContact O-CG 3.3Å; L705-E709 PolarHBondContact O-N 3.37Å
706E85.9Confident77.7Confident127 Ų12782.6 Ų82.659%0.59342%0.424SS*.Hα-helixtrans-54.4-44.7179.8-68.3176.3161.200112.2E702 T708 A710E702-E706 WeakPolarHBondContact O-CG 3.48Å; E702-E706 PolarHBondContact O-N 2.83Å; E706-T708 PolarHBondContact O-N 3.29Å; E706-A710 WeakPolarHBondContact O-CB 3.25Å; E706-A710 PolarHBondContact O-N 2.87Å
707A83.6Confident75.1Confident51 Ų5182.1 Ų82.142%0.42143%0.43SS..Hα-helixtrans-65.9-35.9176.900000113.1K703 L705 Q711K703-A707 WeakPolarHBondContact O-CB 3.44Å; K703-A707 PolarHBondContact O-N 3.17Å; L705-A707 VanDerWaalsContact C-N 3.31Å; L705-A707 PolarHBondContact O-N 3.07Å; A707-Q711 PolarHBondContact O-N 3.29Å; A707-Q711 VanDerWaalsContact O-N 3.16Å
708T78.8Confident73Confident41 Ų4186.8 Ų86.825%0.25246%0.462SS..Hα-helixtrans-72.4-44.2178.9-53.20000110.9Y617 R704 L705 E706 Q711 Q712Y617-T708 HydrophobicContact CD2-CG2 4.2Å; R704-T708 WeakPolarHBondContact O-CB 3.42Å; R704-T708 PolarHBondContact O-N 2.81Å; R704-T708 VanDerWaalsContact O-N 3.1Å; R704-T708 PolarHBondContact O-OG1 3.32Å; L705-T708 WeakPolarHBondContact O-CB 3.25Å; L705-T708 PolarHBondContact O-N 3.25Å; E706-T708 PolarHBondContact O-N 3.29Å; T708-Q711 PolarHBondContact O-N 2.86Å; T708-Q712 WeakPolarHBondContact O-CB 3.37Å; T708-Q712 PolarHBondContact O-N 3.26Å
709E75.1Confident70.1Confident81 Ų8193.2 Ų93.238%0.37951%0.507SS..Hα-helixtrans-60.9-44.6175.2-70178174.900110.9Y617 L705 Q711 Q712 D713Y617-E709 HydrophobicContact CD2-CG 4.28Å; Y617-E709 HydrophobicContact CE2-CG 3.52Å; Y617-E709 WeakPolarHBondContact CE2-OE1 3.19Å; Y617-E709 VanDerWaalsContact CZ-OE1 3.27Å; Y617-E709 PolarHBondContact OH-OE1 2.88Å; L705-E709 WeakPolarHBondContact O-CG 3.3Å; L705-E709 PolarHBondContact O-N 3.37Å; E709-Q711 PolarHBondContact O-N 3.47Å; E709-Q712 PolarHBondContact O-N 3.47Å; E709-D713 PolarHBondContact O-N 2.89Å
710A72.9Confident67.4Low45 Ų4599 Ų9937%0.37252%0.524SS..Hα-helixtrans-59-42.8175.400000112.8E706 Q712 D713 Y714E706-A710 WeakPolarHBondContact O-CB 3.25Å; E706-A710 PolarHBondContact O-N 2.87Å; A710-Q712 VanDerWaalsContact C-N 3.3Å; A710-Q712 PolarHBondContact O-N 2.91Å; A710-D713 PolarHBondContact O-N 3.5Å; A710-Y714 WeakPolarHBondContact O-CD2 3.26Å; A710-Y714 PolarHBondContact O-N 3.44Å; A710-Y714 VanDerWaalsContact O-N 3.16Å
711Q64.4Low64.8Low140 Ų140103.7 Ų103.765%0.65454%0.54SS*.Hα-helixtrans-65.5-32.7174.3-78.9-175.8-117.300112.8A707 T708 E709 L715A707-Q711 PolarHBondContact O-N 3.29Å; A707-Q711 VanDerWaalsContact O-N 3.16Å; T708-Q711 PolarHBondContact O-N 2.86Å; E709-Q711 PolarHBondContact O-N 3.47Å; Q711-L715 PolarHBondContact O-N 2.85Å
712Q59Low62Low103 Ų103108.5 Ų108.548%0.48157%0.57SS.*Hα-helixtrans-74.3-37.3179.1-161.6160.3-2.700111.6T708 E709 A710 L715 S716T708-Q712 WeakPolarHBondContact O-CB 3.37Å; T708-Q712 PolarHBondContact O-N 3.26Å; E709-Q712 PolarHBondContact O-N 3.47Å; A710-Q712 VanDerWaalsContact C-N 3.3Å; A710-Q712 PolarHBondContact O-N 2.91Å; Q712-L715 PolarHBondContact O-N 2.93Å; Q712-S716 VanDerWaalsContact O-CB 3.29Å; Q712-S716 WeakPolarHBondContact O-CB 3.5Å; Q712-S716 PolarHBondContact O-N 3.3Å; Q712-S716 PolarHBondContact O-OG 3.01Å
713D55.8Low59.5Low126 Ų126113.1 Ų113.167%0.67459%0.591SS**Hα-helixtrans-62.8-39.4170.7-89.3-9.8000112.6E709 A710 L715 S716E709-D713 PolarHBondContact O-N 2.89Å; A710-D713 PolarHBondContact O-N 3.5Å; D713-L715 PolarHBondContact O-N 3.22Å; D713-S716 PolarHBondContact O-N 3.3Å
714Y52.8Low56.8Low204 Ų204114.3 Ų114.380%0.860%0.601SS**Hα-helixtrans-63.4-22.5175.2-81.2-61.3000114.1A710A710-Y714 WeakPolarHBondContact O-CD2 3.26Å; A710-Y714 PolarHBondContact O-N 3.44Å; A710-Y714 VanDerWaalsContact O-N 3.16Å
715L51.5Low54.4Low156 Ų156123.1 Ų123.182%0.81764%0.635SS**THydrogen-bonded Turntrans-90-6.8172.5-67172.6000113Q711 Q712 D713Q711-L715 PolarHBondContact O-N 2.85Å; Q712-L715 PolarHBondContact O-N 2.93Å; D713-L715 PolarHBondContact O-N 3.22Å
716S46.7Very low51.8Low85 Ų85124.9 Ų124.959%0.59466%0.658SS**SBendtrans-11637.1-163.3-58.60000115.3Q712 D713Q712-S716 VanDerWaalsContact O-CB 3.29Å; Q712-S716 WeakPolarHBondContact O-CB 3.5Å; Q712-S716 PolarHBondContact O-N 3.3Å; Q712-S716 PolarHBondContact O-OG 3.01Å; D713-S716 PolarHBondContact O-N 3.3Å
717G38.3Very low49.3Very low63 Ų63125 Ų12565%0.64967%0.673SS**  trans164.8173.9155.800000118
718P48.8Very low46.8Very low121 Ų121127.2 Ų127.279%0.78669%0.692SS**  cis-122.2144.5-1.637.7-24.8000114.5
719S32.4Very low44.6Very low136 Ų136130.5 Ų130.595%0.95172%0.717SS**  trans-81.4141157.6-168.10000109.9
720R36.4Very low43.6Very low226 Ų226132 Ų13285%0.85373%0.733SS**  trans-125.2122.6-153.7-179.9-174.2-177.8-175.23114.4
721K36.6Very low41.7Very low202 Ų202140.7 Ų140.788%0.87876%0.756SS**  trans174.8143.4156.2-93.5143.5-177-177.30108.6
722T30.4Very low40Very low101 Ų101142.4 Ų142.462%0.6277%0.767SS**  cis-166.2126.5-6.3-81.30000111.3
723Q38Very low38.7Very low173 Ų173142.1 Ų142.181%0.80877%0.769SS**  trans60.1165.4156.4-70.3174.3-10.600118.5
724I33.5Very low37.6Very low137 Ų137144.3 Ų144.370%0.70377%0.772SS**  cis-149.4148.41.9-134.3157.5000111.9
725R35.1Very low36.6Very low244 Ų244139.8 Ų139.892%0.92178%0.777SS**  trans30.4133.1148.2-158.6-176.7-164.8170.53.2120.9
726G31.9Very low35.5Very low60 Ų60135.8 Ų135.862%0.61977%0.773SS**  cis147.3156.4-6.600000114.5
727S34.4Very low34.7Very low129 Ų129139.5 Ų139.590%0.90278%0.781SS**  trans68.4148.6170.3750000117.8
728A30.5Very low34.3Very low99 Ų99146.7 Ų146.782%0.81879%0.789SS**  cis-147.5170.83.600000113.4
729S32.8Very low33.3Very low110 Ų110152 Ų15277%0.76979%0.793SS**  trans-114.8-175.3165.3-133.80000108.2
730P53.3Low33.1Very low113 Ų113155.1 Ų155.173%0.73478%0.784SS**  cis-146.916729.242.8-21.6000120.1
731R32.6Very low32.6Very low226 Ų226152.5 Ų152.585%0.85378%0.781SS**  trans9.8143.7143.2-66.4174.9162.2164.4-6121.9
732M30.1Very low32.4Very low176 Ų176148 Ų14887%0.86778%0.776SS**  -167.8173.7107-95.5-162.872.400110.6
733D30.1Very low33.6Very low98 Ų98148.8 Ų148.852%0.52478%0.782SS.*  -163145.4-60-164.229.8000111.2
734K33.7Very low33.1Very low171 Ų171152.4 Ų152.474%0.74379%0.789SS**  trans52.6138.6161-72.6177.5-169.787.70124.8
735A30.9Very low32.7Very low109 Ų109151 Ų15190%0.90179%0.791SS**  trans68.9147.5144.400000121
736G29.6Very low33.1Very low72 Ų72149.4 Ų149.474%0.74279%0.791SS**  cis166.7159.7-13.100000116.5
737Q30.4Very low32.8Very low164 Ų164151.8 Ų151.877%0.76680%0.798SS**  trans81.2140.5159.9-126.1-173.673.800121.4
738R28Very low32.8Very low214 Ų214149.7 Ų149.781%0.80878%0.783SS**  trans92.692.7153-61.5-178.7-175.9-147-1.7123.3
739R28.2Very low32.8Very low231 Ų231153.9 Ų153.987%0.87279%0.786SS**  62.6134.2108.5-130.6-177.8-168-179.14.3121.9
740R28.5Very low32.5Very low202 Ų202152.7 Ų152.776%0.76278%0.783SS**  trans94.4107.8154.9-72.5-167.2167.6-179.6-4.1120.7
741Q27.2Very low31.4Very low171 Ų171156.2 Ų156.280%0.79979%0.789SS**  63143120.7-69.9170.2-4900122.2
742S30.6Very low32Very low108 Ų108151.4 Ų151.476%0.75579%0.787SS**  trans-83.3-165.8174.459.80000112.5
743P56.6Low31.9Very low118 Ų118146 Ų14677%0.76678%0.776SS**  cis-129.5178.9-2430.4-11.4000113.2
744R26.8Very low32Very low248 Ų248150.7 Ų150.794%0.93679%0.794SS**  trans-156.1169.7148.7-156146.6177.2136.60.7114.8
745S25.9Very low31.8Very low107 Ų107146 Ų14675%0.74879%0.787SS**  trans-112-175.3-164.551.80000115.3
746K43.5Very low31.8Very low212 Ų212149.7 Ų149.792%0.92279%0.786SS**  trans-75.9164.7-167.8-52173.3-178.4176.70116.3
747S26.2Very low31.8Very low110 Ų110151.8 Ų151.877%0.76979%0.789SS**  trans-170.4155.4161.4-166.90000110
748S33Very low31.7Very low85 Ų85147.3 Ų147.359%0.59479%0.788SS**  cis-168.8165-29.7-77.20000110.1
749Q30.4Very low32.2Very low187 Ų187143.1 Ų143.187%0.87479%0.788SS**  trans66.9170.3164.9-62.9144.6-87.200116
750A27.8Very low32.3Very low85 Ų85142.7 Ų142.770%0.70279%0.786SS**  cis-146.3-170.85.100000113.7
751H28.8Very low32.3Very low186 Ų186142 Ų14286%0.86179%0.791SS**  trans-144.3179-179.6-79.8-49000110
752P46.3Very low32.2Very low126 Ų126138.8 Ų138.882%0.81879%0.788SS**  cis-132.5-175.114.142.2-23.7000115.3
753G28.1Very low32.3Very low61 Ų61145.2 Ų145.263%0.62980%0.796SS**  cis167.2165.6-10.200000113.8
754H31.2Very low31.1Very low197 Ų197144.3 Ų144.391%0.91279%0.792SS**  trans64.1145.6172.8-65.2-78.8000119.3
755A29.2Very low31.3Very low72 Ų72143.6 Ų143.660%0.59579%0.79SS**  cis-161.4155.4-16.900000111.5
756E30.7Very low31.4Very low188 Ų188144 Ų14488%0.87979%0.792SS**  trans46.9145.9149.6-72.7167.4-152.400122.1
757S29.8Very low31.3Very low115 Ų115140.1 Ų140.180%0.80479%0.789SS**  cis-163.1173.6-7.256.60000110.4
758G29.6Very low31.4Very low71 Ų71138.6 Ų138.673%0.73279%0.79SS**  trans110.4128.4164.800000117.2
759P37.3Very low31.4Very low126 Ų126139.5 Ų139.582%0.81880%0.803SS**  trans-100.4144.3-174.136.7-34.1000116.8
760R29.9Very low31.6Very low221 Ų221135.5 Ų135.583%0.83480%0.802SS**  trans3.9140.9147.9-56.3175.1-179.7178.6-0.8119.5
761H28.8Very low31.6Very low187 Ų187134.9 Ų134.987%0.86680%0.804SS**  179132.2104.1-93.8-71.2000112.2
762S26.6Very low31.6Very low105 Ų105132 Ų13273%0.73480%0.803SS**  trans-168.2135156.860.10000114.9
763R32.7Very low30.8Very low242 Ų242132.2 Ų132.291%0.91380%0.802SS**  trans61.1154.1145.3-73.2179.7174.1167.5-1.4119.2
764S30.6Very low30.9Very low100 Ų100134.1 Ų134.170%0.69981%0.806SS**  cis-164.7-173.5-12.5480000107.5
765R30.3Very low30.7Very low232 Ų232129.8 Ų129.888%0.87580%0.797SS**  cis-178.2140.230.8-164.6-179.8-174.6-179.31.6111.9
766S28.5Very low30.7Very low115 Ų115137.6 Ų137.680%0.80481%0.811SS**  trans-167.3146.7152.5410000112.6
767P42.1Very low30.6Very low132 Ų132132.2 Ų132.286%0.85780%0.795SS**  trans-105.1175.6173.640.5-33.6000112.4
768G28.4Very low30.5Very low77 Ų77133.8 Ų133.879%0.79479%0.794SS**  cis176.5168.8-2.400000113.8
769A32.6Very low30.5Very low105 Ų105138.1 Ų138.187%0.86880%0.8SS**  trans-64.9175.5-179.100000116
770A35Very low31.3Very low103 Ų103137 Ų13785%0.85179%0.793SS**  cis-179.8167.8-27.200000109.8
771G27.9Very low31.2Very low72 Ų72134.1 Ų134.174%0.74279%0.794SS**  trans115.8110.7148.700000121.9
772C28.8Very low31.3Very low125 Ų125127.8 Ų127.885%0.84578%0.779SS**  57.7124.2126.1-64.10000126
773V28.7Very low31.5Very low131 Ų131130 Ų13079%0.79479%0.788SS**  93.6118.7123.9170.80000123.1
774S29.8Very low31.4Very low101 Ų101123.6 Ų123.671%0.70678%0.78SS**  trans65.8115.6144.8-76.90000126.6
775S28.2Very low31.6Very low105 Ų105124 Ų12473%0.73478%0.784SS**  77130.1115.2-58.50000124.5
776R28.6Very low31.9Very low236 Ų236122 Ų12289%0.89178%0.784SS**  trans67.7150.8157.3-70.3179.997.31556.1118
777S29.3Very low32.1Very low76 Ų76121.4 Ų121.453%0.53178%0.78SS.*  cis-164.9175.8-22460000111.3
778D27.9Very low31.6Very low147 Ų147121 Ų12179%0.78678%0.78SS**  trans91.9158155.6-51.4-53.8000120.7
779L28.8Very low32Very low163 Ų163122.4 Ų122.485%0.85378%0.778SS**  trans-117.4-171.3-157.2-95.4104.3000110.9
780P53.3Low32.4Very low103 Ų103123 Ų12367%0.66978%0.776SS**  cis-136.5-164.57.736.7-13.6000116.8
781D28.6Very low32.9Very low159 Ų159121.8 Ų121.885%0.8576%0.761SS**  trans93.9129.7161.9-64.3-11.1000118.8
782G30.4Very low34Very low54 Ų54123.7 Ų123.756%0.55775%0.754SS**  cis-177.4139.4-6.100000114.6
783T30.3Very low34.9Very low151 Ų151127.2 Ų127.293%0.92675%0.751SS**  trans66.6148.7-174.7810000113.8
784S32Very low36Very low108 Ų108128.1 Ų128.176%0.75575%0.747SS**  cis-149.9-174.5-11.568.60000107.5
785S34.5Very low37.4Very low110 Ų110125.7 Ų125.777%0.76973%0.73SS**  cis-146.7177.410.7-97.30000111.1
786Q36.6Very low39.2Very low189 Ų189127.1 Ų127.188%0.88372%0.723SS**  trans-87.3158.9174.6-76.1170.8-2.800111.6
787S32.5Very low41.1Very low103 Ų103120.9 Ų120.972%0.7271%0.707SS**  cis-171.8143.9-5.945.60000112
788S31.5Very low42.8Very low122 Ų122123.2 Ų123.285%0.85371%0.712SS**  trans172.5110.114040.80000112.6
789S35.9Very low44.8Very low107 Ų107125.4 Ų125.475%0.74871%0.71SS**  trans-160.937.3-178.553.20000116.2
790S42.3Very low47.1Very low119 Ų119121 Ų12183%0.83269%0.69SS**  trans-90.7-12.7-179.353.80000116.1
791S45.8Very low47.9Very low77 Ų77123.1 Ų123.154%0.53869%0.689SS.*SBendtrans-80.2-23.9-171.751.30000115.6Y793S791-Y793 PolarHBondContact O-N 2.95Å
792N50.5Low50Low111 Ų111125.8 Ų125.859%0.59469%0.687SS**Hα-helixtrans-80-17-162.9-73.8-17.4000115.8S795N792-S795 PolarHBondContact O-OG 3.25Å; N792-S795 VanDerWaalsContact O-OG 3.13Å
793Y48.1Very low52.1Low200 Ų200126.2 Ų126.278%0.78469%0.685SS**Hα-helixtrans-79.2-35.8178.1-94.8-86.8000113.2S791 L797S791-Y793 PolarHBondContact O-N 2.95Å; Y793-L797 PolarHBondContact O-N 3.35Å
794Q52.1Low54.4Low149 Ų149121.1 Ų121.170%0.69666%0.658SS**Hα-helixtrans-70.5-38.6177.3-71.1-178.2-19.900111.7F796 L798Q794-F796 PolarHBondContact O-N 3.4Å; Q794-L798 WeakPolarHBondContact O-CB 3.48Å; Q794-L798 PolarHBondContact O-N 3.1Å
795S57.7Low56.6Low50 Ų50120.8 Ų120.835%0.3565%0.647SS.*Hα-helixtrans-67.3-33.6179.661.40000113N792 R799N792-S795 PolarHBondContact O-OG 3.25Å; N792-S795 VanDerWaalsContact O-OG 3.13Å; S795-R799 WeakPolarHBondContact O-CG 3.4Å; S795-R799 PolarHBondContact O-N 2.74Å; S795-R799 VanDerWaalsContact O-N 3.1Å
796F66.8Low58.8Low135 Ų135119.1 Ų119.159%0.59263%0.634SS**Hα-helixtrans-66.7-51.1174.7-172.2-99.1000112Q794 L798 R799 V800Q794-F796 PolarHBondContact O-N 3.4Å; F796-L798 VanDerWaalsContact C-N 3.33Å; F796-L798 PolarHBondContact O-N 3.39Å; F796-R799 PolarHBondContact O-N 3.32Å; F796-R799 VanDerWaalsContact O-N 3.13Å; F796-V800 HydrophobicContact CD1-CG2 4.18Å; F796-V800 HydrophobicContact CE1-CG2 3.81Å; F796-V800 HydrophobicContact CZ-CG2 4.06Å; F796-V800 WeakPolarHBondContact O-CG2 3.49Å; F796-V800 PolarHBondContact O-N 3.39Å
797L67.6Low60.8Low105 Ų105114.3 Ų114.355%0.5562%0.618SS.*Hα-helixtrans-63.1-37.9179.3-69174.2000112.4Y793 V800 F801Y793-L797 PolarHBondContact O-N 3.35Å; L797-V800 PolarHBondContact O-N 2.76Å; L797-F801 PolarHBondContact O-N 2.8Å
798L64.8Low63.4Low125 Ų125115.5 Ų115.565%0.65461%0.612SS**Hα-helixtrans-64.1-37173.5-86.1162.5000112.9Q794 F796 R802Q794-L798 WeakPolarHBondContact O-CB 3.48Å; Q794-L798 PolarHBondContact O-N 3.1Å; F796-L798 VanDerWaalsContact C-N 3.33Å; F796-L798 PolarHBondContact O-N 3.39Å; L798-R802 WeakPolarHBondContact O-CB 3.24Å; L798-R802 PolarHBondContact O-N 2.86Å
799R69.9Low65.8Low193 Ų193114.8 Ų114.873%0.72860%0.598SS**Hα-helixtrans-66.3-46.1173.5-77.4174.5176.5-179.5-1.3111.7S795 F796 R802 A803S795-R799 WeakPolarHBondContact O-CG 3.4Å; S795-R799 PolarHBondContact O-N 2.74Å; S795-R799 VanDerWaalsContact O-N 3.1Å; F796-R799 PolarHBondContact O-N 3.32Å; F796-R799 VanDerWaalsContact O-N 3.13Å; R799-R802 PolarHBondContact O-N 2.76Å; R799-A803 WeakPolarHBondContact O-CB 3.43Å; R799-A803 PolarHBondContact O-N 3.39Å
800V78.6Confident68.1Low71 Ų71114.4 Ų114.443%0.4359%0.587SS.*Hα-helixtrans-61.1-47.6178.4174.10000111.1F796 L797 R802 A803 A804F796-V800 HydrophobicContact CD1-CG2 4.18Å; F796-V800 HydrophobicContact CE1-CG2 3.81Å; F796-V800 HydrophobicContact CZ-CG2 4.06Å; F796-V800 WeakPolarHBondContact O-CG2 3.49Å; F796-V800 PolarHBondContact O-N 3.39Å; L797-V800 PolarHBondContact O-N 2.76Å; V800-R802 PolarHBondContact O-N 3.48Å; V800-A803 PolarHBondContact O-N 3.38Å; V800-A804 WeakPolarHBondContact O-CB 3.29Å; V800-A804 PolarHBondContact O-N 2.88Å
801F70.7Confident70Confident148 Ų148113.6 Ų113.665%0.64957%0.573SS**Hα-helixtrans-62-44.4175.5-98.3-83.8000112.3L797 A803 A804 L805L797-F801 PolarHBondContact O-N 2.8Å; F801-A803 VanDerWaalsContact C-N 3.27Å; F801-A803 PolarHBondContact O-N 3.34Å; F801-A804 PolarHBondContact O-N 2.68Å; F801-L805 WeakPolarHBondContact O-CB 3.33Å; F801-L805 PolarHBondContact O-N 2.96Å
802R72.4Confident71.7Confident214 Ų214115.5 Ų115.581%0.80858%0.576SS**Hα-helixtrans-65.8-27-179.1-168.7171-174.8160.70.6113.4L798 R799 V800 P806L798-R802 WeakPolarHBondContact O-CB 3.24Å; L798-R802 PolarHBondContact O-N 2.86Å; R799-R802 PolarHBondContact O-N 2.76Å; V800-R802 PolarHBondContact O-N 3.48Å; R802-P806 VanDerWaalsContact O-CD 3.23Å; R802-P806 WeakPolarHBondContact O-CD 3.4Å
803A74.6Confident73.2Confident63 Ų63115.4 Ų115.452%0.52158%0.575SS.*Hα-helixtrans-81-39.8171.900000112.8R799 V800 F801 P806R799-A803 WeakPolarHBondContact O-CB 3.43Å; R799-A803 PolarHBondContact O-N 3.39Å; V800-A803 PolarHBondContact O-N 3.38Å; F801-A803 VanDerWaalsContact C-N 3.27Å; F801-A803 PolarHBondContact O-N 3.34Å; A803-P806 WeakPolarHBondContact O-CD 3.17Å; A803-P806 WeakPolarHBondContact O-CG 3.27Å
804A77.2Confident74.8Confident45 Ų45110.5 Ų110.537%0.37256%0.562SS.*Hα-helixtrans-73.7-36.7-177.300000113.6V800 F801 V807 Q808V800-A804 WeakPolarHBondContact O-CB 3.29Å; V800-A804 PolarHBondContact O-N 2.88Å; F801-A804 PolarHBondContact O-N 2.68Å; A804-V807 PolarHBondContact O-N 2.81Å; A804-Q808 VanDerWaalsContact O-CG 3.28Å; A804-Q808 WeakPolarHBondContact O-CG 3.38Å; A804-Q808 PolarHBondContact O-N 3.35Å
805L79.3Confident76.3Confident100 Ų100108 Ų10852%0.52455%0.552SS.*Hα-helixtrans-56.7-49.6-176.2-132.3164.2000114.2F801 V807 Q808 L809F801-L805 WeakPolarHBondContact O-CB 3.33Å; F801-L805 PolarHBondContact O-N 2.96Å; L805-V807 VanDerWaalsContact C-N 3.32Å; L805-V807 PolarHBondContact O-N 3.01Å; L805-Q808 PolarHBondContact O-N 2.95Å; L805-L809 HydrophobicContact CD2-CD1 4.02Å; L805-L809 WeakPolarHBondContact O-CB 3.29Å; L805-L809 PolarHBondContact O-N 2.84Å
806P80.2Confident77.3Confident76 Ų76107.1 Ų107.149%0.49455%0.551SS.*Hα-helixtrans-64.7-33.6177.724.7-34.3000113R802 A803 L809 L810R802-P806 VanDerWaalsContact O-CD 3.23Å; R802-P806 WeakPolarHBondContact O-CD 3.4Å; A803-P806 WeakPolarHBondContact O-CD 3.17Å; A803-P806 WeakPolarHBondContact O-CG 3.27Å; P806-L809 PolarHBondContact O-N 2.83Å; P806-L810 WeakPolarHBondContact O-CB 3.16Å; P806-L810 PolarHBondContact O-N 2.82Å
807V79.6Confident77.7Confident88 Ų88105.2 Ų105.253%0.53355%0.546SS..Hα-helixtrans-68.6-41.5176.7-178.80000111A804 L805 L810 L811A804-V807 PolarHBondContact O-N 2.81Å; L805-V807 VanDerWaalsContact C-N 3.32Å; L805-V807 PolarHBondContact O-N 3.01Å; V807-L810 PolarHBondContact O-N 2.88Å; V807-L811 PolarHBondContact O-N 2.79Å
808Q85.9Confident77.9Confident127 Ų127103.5 Ų103.559%0.59355%0.547SS*.Hα-helixtrans-63.4-40.4173.8-67.9-80.7-55.900111.8A804 L805 L811 L812A804-Q808 VanDerWaalsContact O-CG 3.28Å; A804-Q808 WeakPolarHBondContact O-CG 3.38Å; A804-Q808 PolarHBondContact O-N 3.35Å; L805-Q808 PolarHBondContact O-N 2.95Å; Q808-L811 PolarHBondContact O-N 3.44Å; Q808-L812 PolarHBondContact O-N 3.22Å
809L82.6Confident78.1Confident108 Ų108102.6 Ų102.657%0.56555%0.551SS**Hα-helixtrans-65.3-41.7175.1-106.5164.8000112.5L805 P806 L811 L812 L813L805-L809 HydrophobicContact CD2-CD1 4.02Å; L805-L809 WeakPolarHBondContact O-CB 3.29Å; L805-L809 PolarHBondContact O-N 2.84Å; P806-L809 PolarHBondContact O-N 2.83Å; L809-L811 VanDerWaalsContact C-N 3.34Å; L809-L812 PolarHBondContact O-N 3.21Å; L809-L813 WeakPolarHBondContact O-CB 3.14Å; L809-L813 PolarHBondContact O-N 3.31Å
810L83.1Confident77.7Confident99 Ų9999.9 Ų99.952%0.51855%0.55SS..Hα-helixtrans-61.9-42.3174.5-174.470.8000111.3P806 V807 L812 L813 L814P806-L810 WeakPolarHBondContact O-CB 3.16Å; P806-L810 PolarHBondContact O-N 2.82Å; V807-L810 PolarHBondContact O-N 2.88Å; L810-L812 PolarHBondContact O-N 3.09Å; L810-L813 WeakPolarHBondContact O-CB 3.11Å; L810-L813 PolarHBondContact O-N 2.86Å; L810-L814 HydrophobicContact CG-CD1 4.23Å; L810-L814 WeakPolarHBondContact O-CG 3.43Å; L810-L814 PolarHBondContact O-N 2.68Å
811L82Confident76.7Confident101 Ų101101.1 Ų101.153%0.52956%0.557SS.*Hα-helixtrans-62.7-42.9176.8-140.180.2000111.7V807 Q808 L809 L814 I815V807-L811 PolarHBondContact O-N 2.79Å; Q808-L811 PolarHBondContact O-N 3.44Å; L809-L811 VanDerWaalsContact C-N 3.34Å; L811-L814 PolarHBondContact O-N 2.72Å; L811-I815 WeakPolarHBondContact O-CD1 3.32Å; L811-I815 VanDerWaalsContact O-CG1 3.29Å; L811-I815 WeakPolarHBondContact O-CG1 3.4Å; L811-I815 PolarHBondContact O-N 3.3Å
812L82.4Confident75.6Confident118 Ų11899 Ų9962%0.61856%0.559SS**Hα-helixtrans-64.1-38.5174.2-97.9163.8000112.7Q808 L809 L810 I815 G816Q808-L812 PolarHBondContact O-N 3.22Å; L809-L812 PolarHBondContact O-N 3.21Å; L810-L812 PolarHBondContact O-N 3.09Å; L812-I815 PolarHBondContact O-N 2.93Å; L812-G816 PolarHBondContact O-N 2.68Å
813L81.9Confident74.7Confident109 Ų10997.7 Ų97.757%0.57156%0.564SS**Hα-helixtrans-63.6-44.4174.9-171.576.8000111.3L809 L810 G816 L817L809-L813 WeakPolarHBondContact O-CB 3.14Å; L809-L813 PolarHBondContact O-N 3.31Å; L810-L813 WeakPolarHBondContact O-CB 3.11Å; L810-L813 PolarHBondContact O-N 2.86Å; L813-G816 PolarHBondContact O-N 2.78Å; L813-L817 HydrophobicContact CG-CD1 4.17Å; L813-L817 WeakPolarHBondContact O-CB 3.17Å; L813-L817 WeakPolarHBondContact O-CG 3.33Å; L813-L817 PolarHBondContact O-N 3.4Å
814L80.7Confident73.5Confident96 Ų96100.3 Ų100.350%0.50357%0.573SS.*Hα-helixtrans-65.7-39178.1-71.3169000112.2L810 L811 L817 A818L810-L814 HydrophobicContact CG-CD1 4.23Å; L810-L814 WeakPolarHBondContact O-CG 3.43Å; L810-L814 PolarHBondContact O-N 2.68Å; L811-L814 PolarHBondContact O-N 2.72Å; L814-L817 PolarHBondContact O-N 2.76Å; L814-A818 WeakPolarHBondContact O-CB 3.35Å; L814-A818 PolarHBondContact O-N 2.85Å
815I84Confident72.2Confident97 Ų97107.3 Ų107.350%0.49760%0.598SS.*Hα-helixtrans-64.3-43.5172.1-68163.9000110.4L811 L812 L817 A818 C819L811-I815 WeakPolarHBondContact O-CD1 3.32Å; L811-I815 VanDerWaalsContact O-CG1 3.29Å; L811-I815 WeakPolarHBondContact O-CG1 3.4Å; L811-I815 PolarHBondContact O-N 3.3Å; L812-I815 PolarHBondContact O-N 2.93Å; I815-L817 PolarHBondContact O-N 3.43Å; I815-A818 PolarHBondContact O-N 3.19Å; I815-C819 PolarHBondContact O-N 3.17Å; I815-C819 PolarHBondContact O-SG 2.84Å; I815-C819 VanDerWaalsContact O-SG 3.39Å
816G78.8Confident70.5Confident31 Ų31111.2 Ų111.232%0.3261%0.614SS.*Hα-helixtrans-60.2-42.8175.100000113.1L812 L813 C819 L820L812-G816 PolarHBondContact O-N 2.68Å; L813-G816 PolarHBondContact O-N 2.78Å; G816-C819 CarbonylContact O-C 3.57Å; G816-C819 PolarHBondContact O-N 2.89Å; G816-L820 WeakPolarHBondContact O-CG 3.49Å; G816-L820 PolarHBondContact O-N 2.82Å
817L75.6Confident68.5Low95 Ų95115.3 Ų115.350%0.49763%0.632SS.*Hα-helixtrans-64.7-41175.2-75.9164.4000112.1L813 L814 I815 C819 L820L813-L817 HydrophobicContact CG-CD1 4.17Å; L813-L817 WeakPolarHBondContact O-CB 3.17Å; L813-L817 WeakPolarHBondContact O-CG 3.33Å; L813-L817 PolarHBondContact O-N 3.4Å; L814-L817 PolarHBondContact O-N 2.76Å; I815-L817 PolarHBondContact O-N 3.43Å; L817-C819 VanDerWaalsContact C-N 3.25Å; L817-C819 PolarHBondContact O-N 2.92Å; L817-L820 PolarHBondContact O-N 3.23Å
818A72.4Confident66.6Low69 Ų69121.8 Ų121.857%0.5765%0.648SS**Hα-helixtrans-62.3-33.2173.800000112.4L814 I815 L820L814-A818 WeakPolarHBondContact O-CB 3.35Å; L814-A818 PolarHBondContact O-N 2.85Å; I815-A818 PolarHBondContact O-N 3.19Å; A818-L820 VanDerWaalsContact C-N 3.28Å; A818-L820 PolarHBondContact O-N 2.86Å
819C67.5Low64.2Low107 Ų107120.5 Ų120.572%0.72365%0.653SS**THydrogen-bonded Turntrans-78.3-3.4173-66.20000114.8I815 G816 L817I815-C819 PolarHBondContact O-N 3.17Å; I815-C819 PolarHBondContact O-SG 2.84Å; I815-C819 VanDerWaalsContact O-SG 3.39Å; G816-C819 CarbonylContact O-C 3.57Å; G816-C819 PolarHBondContact O-N 2.89Å; L817-C819 VanDerWaalsContact C-N 3.25Å; L817-C819 PolarHBondContact O-N 2.92Å
820L62.5Low62.1Low135 Ų135120.3 Ų120.371%0.70766%0.66SS**THydrogen-bonded Turntrans-104.2-2.2178.6-74.8167.7000113.7G816 L817 A818 P822G816-L820 WeakPolarHBondContact O-CG 3.49Å; G816-L820 PolarHBondContact O-N 2.82Å; L817-L820 PolarHBondContact O-N 3.23Å; A818-L820 VanDerWaalsContact C-N 3.28Å; A818-L820 PolarHBondContact O-N 2.86Å; L820-P822 WeakPolarHBondContact O-CD 3.15Å
821V58.4Low59.9Low98 Ų98124.5 Ų124.559%0.59468%0.676SS**SBendtrans-75.6121174.6-178.20000109.9M823V821-M823 PolarHBondContact O-N 3.5Å
822P47.7Very low57.9Low104 Ų104128.4 Ų128.468%0.67569%0.691SS**  trans-69.8118176.8-1832.5000111.4L820 T824L820-P822 WeakPolarHBondContact O-CD 3.15Å; P822-T824 VanDerWaalsContact C-N 3.31Å; P822-T824 PolarHBondContact O-N 2.85Å; P822-T824 VanDerWaalsContact O-N 3.1Å
823M53.3Low55.6Low186 Ų186127.5 Ų127.592%0.91670%0.701SS**  trans-83.273.3172.7-73.9-72.7-66.200110.5V821V821-M823 PolarHBondContact O-N 3.5Å
824T49.5Very low53.3Low118 Ų118128.6 Ų128.672%0.72471%0.708SS**  trans-135.5132.117346.30000109.9P822 E826P822-T824 VanDerWaalsContact C-N 3.31Å; P822-T824 PolarHBondContact O-N 2.85Å; P822-T824 VanDerWaalsContact O-N 3.1Å; T824-E826 PolarHBondContact O-N 3.05Å
825E48.7Very low51.2Low191 Ų191131.3 Ų131.389%0.89372%0.723SS**  trans-98.311.6-149-152.4167.2-161.400115.1
826E43.8Very low49.1Very low183 Ų183135.3 Ų135.386%0.85574%0.737SS**  trans-103.6-13.8-153.7-59.6-169.113800117.4T824T824-E826 PolarHBondContact O-N 3.05Å
827D37.7Very low47.2Very low162 Ų162138.1 Ų138.187%0.86676%0.757SS**  trans-93.11.9-168.6-88.6-38.6000116.9S829D827-S829 VanDerWaalsContact C-N 3.29Å; D827-S829 PolarHBondContact O-N 3.46Å
828Y40.6Very low45.7Very low224 Ų224145 Ų14588%0.87878%0.776SS**  trans-82.361.7-178.7-78.1-69.5000114.3
829S35.8Very low44.1Very low100 Ų100145.9 Ų145.970%0.69978%0.778SS**  trans-106.789.7177.9-171.40000112.9D827 H831D827-S829 VanDerWaalsContact C-N 3.29Å; D827-S829 PolarHBondContact O-N 3.46Å; S829-H831 PolarHBondContact O-N 3.22Å
830C37.6Very low43Very low104 Ų104151 Ų15170%0.70379%0.788SS**  trans-87.889.9-175.9-620000113.9H832C830-H832 PolarHBondContact O-N 2.98Å
831H36.5Very low41.8Very low186 Ų186152.6 Ų152.686%0.86179%0.792SS**  trans-64.3114.3167-104.2-77.8000111.6S829 A833S829-H831 PolarHBondContact O-N 3.22Å; H831-A833 PolarHBondContact O-N 3.47Å
832H39.8Very low40.9Very low183 Ų183154.4 Ų154.485%0.84781%0.805SS**  trans-74.6120.5174.8-85.860.5000111.6C830C830-H832 PolarHBondContact O-N 2.98Å
833A35.3Very low40.4Very low99 Ų99157.7 Ų157.782%0.81881%0.814SS**  trans-102.3114.1163.800000109.6H831H831-A833 PolarHBondContact O-N 3.47Å
834N33.8Very low40Very low133 Ų133156 Ų15671%0.71181%0.808SS**  trans-93.4132.8-177.1-1769.3000111F836N834-F836 VanDerWaalsContact OD1-CD2 3.31Å; N834-F836 WeakPolarHBondContact OD1-CD2 3.21Å
835N36.8Very low39.6Very low153 Ų153161.3 Ų161.382%0.81882%0.815SS**  trans-140.752.3-171.2-123.9-16.5000114.1A837N835-A837 PolarHBondContact O-N 3.1Å; N835-A837 VanDerWaalsContact O-N 3.1Å
836F39.3Very low39.6Very low181 Ų181161.4 Ų161.479%0.79481%0.808SS**  trans-75.789.4170.5-84.5-76.4000112N834N834-F836 VanDerWaalsContact OD1-CD2 3.31Å; N834-F836 WeakPolarHBondContact OD1-CD2 3.21Å
837A39.2Very low39.8Very low89 Ų89158.2 Ų158.274%0.73680%0.801SS**  trans-103.56.2179.100000115N835N835-A837 PolarHBondContact O-N 3.1Å; N835-A837 VanDerWaalsContact O-N 3.1Å
838R44.5Very low40Very low240 Ų240158.7 Ų158.791%0.90680%0.804SS**  trans-145.171.6-174.8-68.4-171.5177.2178-0.5113.8
839S38.4Very low41.2Very low88 Ų88150.3 Ų150.362%0.61579%0.785SS**  trans-137.9114167.149.90000111.4H841S839-H841 PolarHBondContact O-N 2.68Å; S839-H841 VanDerWaalsContact O-N 3.16Å
840F43.3Very low41.8Very low214 Ų214151.3 Ų151.394%0.93979%0.79SS**  trans-85.182.1178.4-83.4-82.5000111.5
841H37.6Very low42.3Very low169 Ų169151.4 Ų151.478%0.78279%0.789SS**  trans-128.8126.7164.3-75.4-28000110.6S839 M843S839-H841 PolarHBondContact O-N 2.68Å; S839-H841 VanDerWaalsContact O-N 3.16Å; H841-M843 PolarHBondContact O-N 2.86Å; H841-M843 VanDerWaalsContact O-N 3.13Å
842P39.3Very low43.1Very low135 Ų135148.6 Ų148.688%0.87779%0.787SS**  trans-72.3104.9172.329.5-32.1000109.3
843M38.1Very low43.4Very low174 Ų174151.4 Ų151.486%0.85781%0.806SS**  trans-92.4118-176.7-167.6174.8176.500110.9H841 R845H841-M843 PolarHBondContact O-N 2.86Å; H841-M843 VanDerWaalsContact O-N 3.13Å; M843-R845 PolarHBondContact O-N 2.83Å
844L43.9Very low43.8Very low150 Ų150154 Ų15479%0.78581%0.805SS**  trans-60.2124.2172.6-85.4159.7000110.2
845R42.3Very low44.3Very low230 Ų230155.1 Ų155.187%0.86881%0.81SS**  trans-90.2115.6173.1-75.6-174.9172-173.2-2.4110.1M843 T847M843-R845 PolarHBondContact O-N 2.83Å; R845-T847 PolarHBondContact O-N 3.02Å
846Y49.1Very low44.7Very low193 Ų193155.2 Ų155.276%0.75781%0.81SS**  trans-75.4101.7162.9-68.9-85.9000109.2N848Y846-N848 PolarHBondContact O-N 3.46Å
847T46.1Very low45.1Very low116 Ų116153.7 Ų153.771%0.71281%0.811SS**SBendtrans-81.8112169.449.80000109.2R845R845-T847 PolarHBondContact O-N 3.02Å
848N43.8Very low45.4Very low171 Ų171157.8 Ų157.891%0.91482%0.815SS**SBendtrans80.760.3174.7-47-23.8000116.6Y846Y846-N848 PolarHBondContact O-N 3.46Å
849G64.1Low45.5Very low48 Ų48152.3 Ų152.350%0.49581%0.809SS.*  trans176.7150160.700000113.6
850P49.6Very low46Very low122 Ų122156.9 Ų156.979%0.79282%0.823SS**PPolyproline II helixtrans-71150.816432.2-33.6000110.2
851P48.5Very low46.2Very low105 Ų105152.5 Ų152.568%0.68281%0.814SS**PPolyproline II helixtrans-68.8151.7176.230-35.1000111.7
852P52Low46.9Very low127 Ų127151.1 Ų151.183%0.82582%0.817SS**PPolyproline II helixtrans-66.4155.9171.529.8-34.9000111.7
853I46.5Very low47.6Very low242 Ų242152.5 Ų152.5100%1.24181%0.812SS**  trans-88.30-177.9-56174.7000110.5

Retrieved 853 of 853 residues in 151.3 ms (Link to these results)

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